Showing metabocard for Atrial natriuretic factor prohormone (8-33) (HMDB0247646)
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Version | 5.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Status | Detected but not Quantified | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Creation Date | 2021-09-11 00:40:15 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Update Date | 2021-09-26 22:57:27 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
HMDB ID | HMDB0247646 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Metabolite Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Common Name | Atrial natriuretic factor prohormone (8-33) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Description | Based on a literature review very few articles have been published on Atrial natriuretic factor prohormone (8-33). This compound has been identified in human blood as reported by (PMID: 31557052 ). Atrial natriuretic factor prohormone (8-33) is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Atrial natriuretic factor prohormone (8-33) is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Structure | MOL for HMDB0247646 (Atrial natriuretic factor prohormone (8-33))Mrv1652309112102412D 177179 0 0 0 0 999 V2000 -0.9633 -1.7776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1997 -1.4653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0883 -0.6479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7406 -0.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6753 -0.3355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1232 0.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6972 0.1913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5357 0.9920 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3427 0.8205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1613 2.0623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5749 1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2894 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0039 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0039 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7184 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.4328 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1473 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1473 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 17.8618 -0.4125 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 17.8618 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1473 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4328 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4328 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7184 -1.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0039 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2894 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2894 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5749 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 -1.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -1.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9440 -2.3174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -3.7125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -4.9500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -4.9500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0947 -2.8162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -4.1250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -5.3625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -5.3625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0039 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7184 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4328 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1473 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1473 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4328 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7184 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6322 -2.3174 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.4527 -2.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7883 -1.4775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9376 -2.8986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6021 -3.6523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0870 -4.3198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7581 -2.8124 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2430 -3.4798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9075 -4.2335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0635 -3.3936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3991 -2.6399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9141 -1.9725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5484 -4.0610 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.3689 -3.9748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7045 -3.2211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8538 -4.6423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6743 -4.5560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1592 -5.2235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9797 -5.1372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4646 -5.8047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 26.2851 -5.7184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6207 -4.9647 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 26.7700 -6.3859 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.5183 -5.3959 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.4328 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7184 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1473 2.4750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.1473 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4328 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7184 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2334 2.6326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0039 3.7125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.8618 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8618 4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5762 3.3000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.2907 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2907 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0052 4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0052 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0052 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7197 3.7125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.4341 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4341 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1486 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8631 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5775 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5775 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8631 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1486 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1486 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1486 4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8631 3.3000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.5775 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2920 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0065 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7210 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4354 3.7125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 27.1499 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8644 3.7125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 27.1499 2.4750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.5775 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2920 4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8631 4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5749 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 3.3000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 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0 0 0 85 87 1 0 0 0 0 87 88 1 0 0 0 0 58 89 1 0 0 0 0 89 90 1 0 0 0 0 90 91 1 0 0 0 0 91 92 1 0 0 0 0 92 93 1 0 0 0 0 93 94 2 0 0 0 0 93 95 1 0 0 0 0 46 96 1 0 0 0 0 96 97 1 0 0 0 0 97 98 2 0 0 0 0 98 99 1 0 0 0 0 99100 2 0 0 0 0 100101 1 0 0 0 0 101102 2 0 0 0 0 97102 1 0 0 0 0 42103 1 0 0 0 0 103104 1 0 0 0 0 104105 2 0 0 0 0 104106 1 0 0 0 0 106107 1 0 0 0 0 107108 1 0 0 0 0 106109 1 0 0 0 0 109110 1 0 0 0 0 110111 2 0 0 0 0 110112 1 0 0 0 0 112113 1 0 0 0 0 113114 1 0 0 0 0 112115 1 0 0 0 0 115116 1 0 0 0 0 116117 2 0 0 0 0 116118 1 0 0 0 0 118119 1 0 0 0 0 119120 1 0 0 0 0 120121 1 0 0 0 0 121122 1 0 0 0 0 122123 1 0 0 0 0 123124 2 0 0 0 0 123125 1 0 0 0 0 118126 1 0 0 0 0 37127 1 0 0 0 0 127128 2 0 0 0 0 127129 1 0 0 0 0 129130 1 0 0 0 0 130131 1 0 0 0 0 131132 1 0 0 0 0 132133 2 0 0 0 0 132134 1 0 0 0 0 130135 1 0 0 0 0 135136 2 0 0 0 0 135137 1 0 0 0 0 137138 1 0 0 0 0 138139 1 0 0 0 0 139140 1 0 0 0 0 138141 1 0 0 0 0 141142 2 0 0 0 0 141143 1 0 0 0 0 143144 1 0 0 0 0 144145 1 0 0 0 0 145146 1 0 0 0 0 146147 2 0 0 0 0 147148 1 0 0 0 0 148149 2 0 0 0 0 149150 1 0 0 0 0 150151 2 0 0 0 0 146151 1 0 0 0 0 144152 1 0 0 0 0 152153 2 0 0 0 0 152154 1 0 0 0 0 154155 1 0 0 0 0 155156 1 0 0 0 0 156157 1 0 0 0 0 157158 1 0 0 0 0 158159 1 0 0 0 0 159160 1 0 0 0 0 160161 2 0 0 0 0 160162 1 0 0 0 0 155163 1 0 0 0 0 163164 2 0 0 0 0 163165 1 0 0 0 0 29166 1 0 0 0 0 166167 1 0 0 0 0 167168 1 0 0 0 0 167169 1 0 0 0 0 21170 1 0 0 0 0 170171 1 0 0 0 0 17172 1 0 0 0 0 172173 1 0 0 0 0 173174 1 0 0 0 0 174175 2 0 0 0 0 174176 1 0 0 0 0 13177 1 0 0 0 0 M END 3D MOL for HMDB0247646 (Atrial natriuretic factor prohormone (8-33))HMDB0247646 RDKit 3D Atrial natriuretic factor prohormone (8-33) 345347 0 0 0 0 0 0 0 0999 V2000 -13.1549 -4.5197 3.6168 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4492 -3.9246 2.4709 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1701 -3.9082 1.1515 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3970 -3.1759 0.9583 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2648 -4.3479 0.0149 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0011 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0 0 0 0 0 19.2907 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2907 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0052 4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0052 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0052 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7197 3.7125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.4341 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4341 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1486 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8631 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5775 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5775 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8631 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1486 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1486 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1486 4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8631 3.3000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.5775 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2920 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0065 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7210 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4354 3.7125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 27.1499 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8644 3.7125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 27.1499 2.4750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.5775 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2920 4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8631 4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5749 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 3.3000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 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1 0 0 0 0 129130 1 0 0 0 0 130131 1 0 0 0 0 131132 1 0 0 0 0 132133 2 0 0 0 0 132134 1 0 0 0 0 130135 1 0 0 0 0 135136 2 0 0 0 0 135137 1 0 0 0 0 137138 1 0 0 0 0 138139 1 0 0 0 0 139140 1 0 0 0 0 138141 1 0 0 0 0 141142 2 0 0 0 0 141143 1 0 0 0 0 143144 1 0 0 0 0 144145 1 0 0 0 0 145146 1 0 0 0 0 146147 2 0 0 0 0 147148 1 0 0 0 0 148149 2 0 0 0 0 149150 1 0 0 0 0 150151 2 0 0 0 0 146151 1 0 0 0 0 144152 1 0 0 0 0 152153 2 0 0 0 0 152154 1 0 0 0 0 154155 1 0 0 0 0 155156 1 0 0 0 0 156157 1 0 0 0 0 157158 1 0 0 0 0 158159 1 0 0 0 0 159160 1 0 0 0 0 160161 2 0 0 0 0 160162 1 0 0 0 0 155163 1 0 0 0 0 163164 2 0 0 0 0 163165 1 0 0 0 0 29166 1 0 0 0 0 166167 1 0 0 0 0 167168 1 0 0 0 0 167169 1 0 0 0 0 21170 1 0 0 0 0 170171 1 0 0 0 0 17172 1 0 0 0 0 172173 1 0 0 0 0 173174 1 0 0 0 0 174175 2 0 0 0 0 174176 1 0 0 0 0 13177 1 0 0 0 0 M END > <DATABASE_ID> HMDB0247646 > <DATABASE_NAME> hmdb > <SMILES> CCC(C)C1NC(=O)C(CCCNC(N)=N)NC(=O)C(CC(O)=O)NC(=O)C(NC(=O)C(CCCNC(N)=N)NC(=O)CNC(=O)CNC(=O)C(CC2=CC=CC=C2)NC(=O)C(CSSCC(NC(=O)CNC(=O)C(CC(C)C)NC(=O)CNC(=O)C(CO)NC(=O)C(CCC(N)=O)NC(=O)C(C)NC(=O)CNC1=O)C(=O)NC(CC(N)=O)C(=O)NC(CO)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCNC(N)=N)C(O)=O)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(N)CCCNC(N)=N)C(C)CC > <INCHI_IDENTIFIER> InChI=1S/C104H168N38O33S2/c1-8-51(5)80-98(172)124-41-75(150)125-53(7)82(156)129-59(28-29-72(106)147)87(161)137-66(44-143)86(160)123-42-77(152)127-61(34-50(3)4)84(158)122-43-78(153)128-70(96(170)134-64(37-73(107)148)91(165)138-68(46-145)93(167)133-63(36-55-22-14-11-15-23-55)90(164)131-60(100(174)175)27-19-33-119-104(114)115)48-176-177-49-71(140-95(169)69(47-146)139-94(168)67(45-144)136-83(157)56(105)24-16-30-116-101(108)109)97(171)132-62(35-54-20-12-10-13-21-54)85(159)121-39-74(149)120-40-76(151)126-57(25-17-31-117-102(110)111)88(162)142-81(52(6)9-2)99(173)135-65(38-79(154)155)92(166)130-58(89(163)141-80)26-18-32-118-103(112)113/h10-15,20-23,50-53,56-71,80-81,143-146H,8-9,16-19,24-49,105H2,1-7H3,(H2,106,147)(H2,107,148)(H,120,149)(H,121,159)(H,122,158)(H,123,160)(H,124,172)(H,125,150)(H,126,151)(H,127,152)(H,128,153)(H,129,156)(H,130,166)(H,131,164)(H,132,171)(H,133,167)(H,134,170)(H,135,173)(H,136,157)(H,137,161)(H,138,165)(H,139,168)(H,140,169)(H,141,163)(H,142,162)(H,154,155)(H,174,175)(H4,108,109,116)(H4,110,111,117)(H4,112,113,118)(H4,114,115,119) > <INCHI_KEY> WUFHQKHAKHCKJG-UHFFFAOYSA-N > <FORMULA> C104H168N38O33S2 > <MOLECULAR_WEIGHT> 2542.84 > <EXACT_MASS> 2541.20774237 > <JCHEM_ACCEPTOR_COUNT> 46 > <JCHEM_ATOM_COUNT> 345 > <JCHEM_AVERAGE_POLARIZABILITY> 257.5701185065483 > <JCHEM_BIOAVAILABILITY> 0 > <JCHEM_DONOR_COUNT> 44 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> 2-[2-(2-{2-[(52-{2-[2-(2-amino-5-carbamimidamidopentanamido)-3-hydroxypropanamido]-3-hydroxypropanamido}-49-benzyl-28,37-bis(butan-2-yl)-31,40-bis(3-carbamimidamidopropyl)-19-(2-carbamoylethyl)-34-(carboxymethyl)-16-(hydroxymethyl)-22-methyl-10-(2-methylpropyl)-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51-hexadecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50-hexadecaazacyclotripentacontan-4-yl)formamido]-3-carbamoylpropanamido}-3-hydroxypropanamido)-3-phenylpropanamido]-5-carbamimidamidopentanoic acid > <ALOGPS_LOGP> -1.68 > <JCHEM_LOGP> -23.5356174259806 > <ALOGPS_LOGS> -4.31 > <JCHEM_MDDR_LIKE_RULE> 1 > <JCHEM_NUMBER_OF_RINGS> 3 > <JCHEM_PHYSIOLOGICAL_CHARGE> 3 > <JCHEM_PKA> 3.2516039001915 > <JCHEM_PKA_STRONGEST_ACIDIC> -0.7523285134960425 > <JCHEM_PKA_STRONGEST_BASIC> 12.584271887946523 > <JCHEM_POLAR_SURFACE_AREA> 1184.62 > <JCHEM_REFRACTIVITY> 666.2336000000004 > <JCHEM_ROTATABLE_BOND_COUNT> 52 > <JCHEM_RULE_OF_FIVE> 0 > <ALOGPS_SOLUBILITY> 1.26e-01 g/l > <JCHEM_TRADITIONAL_IUPAC> 2-[2-(2-{2-[(52-{2-[2-(2-amino-5-carbamimidamidopentanamido)-3-hydroxypropanamido]-3-hydroxypropanamido}-49-benzyl-31,40-bis(3-carbamimidamidopropyl)-19-(2-carbamoylethyl)-34-(carboxymethyl)-16-(hydroxymethyl)-22-methyl-10-(2-methylpropyl)-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51-hexadecaoxo-28,37-bis(sec-butyl)-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50-hexadecaazacyclotripentacontan-4-yl)formamido]-3-carbamoylpropanamido}-3-hydroxypropanamido)-3-phenylpropanamido]-5-carbamimidamidopentanoic acid > <JCHEM_VEBER_RULE> 0 $$$$ 3D-SDF for HMDB0247646 (Atrial natriuretic factor prohormone (8-33))HMDB0247646 RDKit 3D Atrial natriuretic factor prohormone (8-33) 345347 0 0 0 0 0 0 0 0999 V2000 -13.1549 -4.5197 3.6168 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4492 -3.9246 2.4709 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1701 -3.9082 1.1515 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3970 -3.1759 0.9583 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2648 -4.3479 0.0149 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0011 -3.6779 0.0459 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.4729 -2.4655 -0.2441 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2121 -2.5789 -0.7513 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.7865 -1.0663 -0.1278 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6408 -0.5009 -1.3248 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9978 -1.0735 -1.2356 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1273 -1.1320 -2.1009 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9541 -0.0039 -2.4320 N 0 0 0 0 0 0 0 0 0 0 0 0 -16.3614 -0.1783 -2.6277 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.9605 0.5850 -3.5126 N 0 0 0 0 0 0 0 0 0 0 0 0 -17.1564 -1.1145 -1.9424 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.7704 -0.1928 0.3221 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.0496 1.1661 0.7185 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2692 2.0597 0.4075 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.3169 1.4465 1.4737 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2777 0.9506 2.8786 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5814 1.1808 3.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7077 1.2068 4.7731 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.6889 1.3854 2.7346 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.5226 2.8802 1.3315 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.4397 3.8989 2.2285 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5366 4.6385 2.3325 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.4092 4.4320 3.1636 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7961 4.1006 4.5487 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8164 4.7787 5.5422 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1322 4.3642 5.0989 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4809 5.8177 5.2111 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0414 5.7305 2.8228 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.7899 6.2423 2.3287 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7022 6.9572 1.3405 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4665 5.8060 3.0277 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5005 6.6572 4.2463 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6039 6.3692 5.3839 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3639 6.8574 6.6867 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7909 8.2077 6.5843 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.0903 8.6427 6.9125 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5606 8.5852 8.1152 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.9437 9.1835 5.9122 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4415 6.0796 2.0487 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0600 6.1286 2.2341 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3783 7.0638 1.6890 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2742 5.1685 3.0483 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3889 4.4942 2.1166 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9981 4.6567 2.1358 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2846 3.7443 1.6548 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2905 5.8438 2.7062 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6534 6.5843 1.6218 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4797 6.0426 0.9546 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3124 6.0992 -0.3324 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7389 5.5023 1.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9176 6.2418 1.8818 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7633 7.1587 3.0294 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4497 6.9435 4.2124 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2720 7.7585 5.2755 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 8.8300 5.1634 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6567 9.0318 4.0325 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8464 8.1770 2.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9552 4.2327 0.7508 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1705 3.5624 0.5435 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3074 2.4275 0.9686 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3220 4.0941 -0.3341 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9509 5.3210 -0.9530 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8676 5.5180 -1.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1708 4.5394 -2.2320 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6110 6.8866 -2.3633 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6872 7.7581 -1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2029 8.9711 -1.0755 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6115 7.4685 -3.1009 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5308 8.9495 -3.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5352 9.5732 -2.9574 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7232 9.5369 -3.7772 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6620 9.5851 -2.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8289 9.0511 -2.6368 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3662 10.4713 -4.4378 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5205 10.5543 -5.8372 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9561 9.8739 -6.6465 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7153 11.5827 -6.0913 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7956 11.0723 -5.3100 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9824 11.6003 -7.5257 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3977 12.8688 -8.1307 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4189 13.9821 -7.8864 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4807 13.8460 -8.9322 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6749 15.1041 -9.5897 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0325 15.3628 -10.6907 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5462 16.0426 -8.9741 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6993 3.0632 -1.3249 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4271 2.5077 -1.2468 S 0 0 0 0 0 0 0 0 0 0 0 0 6.5577 0.4238 -1.8309 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1499 -0.3884 -0.9929 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8719 -1.7335 -1.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0463 -2.6170 -1.1386 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2011 -3.7604 -1.5338 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0594 -2.0903 -0.2471 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1120 -3.0297 -0.2864 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6510 -4.1482 0.3101 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7561 -4.6801 -0.6410 C 0 0 0 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0 116289 1 0 117290 1 0 118291 1 0 119292 1 0 120293 1 0 123294 1 0 124295 1 0 125296 1 0 125297 1 0 126298 1 0 126299 1 0 127300 1 0 127301 1 0 128302 1 0 130303 1 0 131304 1 0 131305 1 0 134306 1 0 135307 1 0 138308 1 0 138309 1 0 139310 1 0 142311 1 0 143312 1 0 143313 1 0 144314 1 0 145315 1 0 145316 1 0 145317 1 0 146318 1 0 146319 1 0 146320 1 0 147321 1 0 150322 1 0 150323 1 0 151324 1 0 154325 1 0 155326 1 0 155327 1 0 156328 1 0 157329 1 0 160330 1 0 161331 1 0 161332 1 0 162333 1 0 162334 1 0 164335 1 0 164336 1 0 166337 1 0 169338 1 0 170339 1 0 170340 1 0 170341 1 0 171342 1 0 174343 1 0 174344 1 0 175345 1 0 M END PDB for HMDB0247646 (Atrial natriuretic factor prohormone (8-33))HEADER PROTEIN 11-SEP-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 11-SEP-21 0 HETATM 1 C UNK 0 -1.798 -3.318 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 -0.373 -2.735 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 -0.165 -1.209 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 -1.382 -0.266 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 1.261 -0.626 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 0.230 0.518 0.000 0.00 0.00 C+0 HETATM 7 O UNK 0 -1.302 0.357 0.000 0.00 0.00 O+0 HETATM 8 N UNK 0 1.000 1.852 0.000 0.00 0.00 N+0 HETATM 9 C UNK 0 2.506 1.532 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 4.001 2.310 0.000 0.00 0.00 C+0 HETATM 11 O UNK 0 4.034 3.850 0.000 0.00 0.00 O+0 HETATM 12 N UNK 0 5.335 1.540 0.000 0.00 0.00 N+0 HETATM 13 C UNK 0 6.668 2.310 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 8.002 1.540 0.000 0.00 0.00 C+0 HETATM 15 O UNK 0 8.002 0.000 0.000 0.00 0.00 O+0 HETATM 16 N UNK 0 9.336 2.310 0.000 0.00 0.00 N+0 HETATM 17 C UNK 0 10.669 1.540 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 12.003 2.310 0.000 0.00 0.00 C+0 HETATM 19 O UNK 0 12.003 3.850 0.000 0.00 0.00 O+0 HETATM 20 N UNK 0 13.337 1.540 0.000 0.00 0.00 N+0 HETATM 21 C UNK 0 14.670 2.310 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 16.004 1.540 0.000 0.00 0.00 C+0 HETATM 23 O UNK 0 16.004 0.000 0.000 0.00 0.00 O+0 HETATM 24 N UNK 0 17.338 2.310 0.000 0.00 0.00 N+0 HETATM 25 C UNK 0 18.672 1.540 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 20.005 2.310 0.000 0.00 0.00 C+0 HETATM 27 O UNK 0 20.005 3.850 0.000 0.00 0.00 O+0 HETATM 28 N UNK 0 21.339 1.540 0.000 0.00 0.00 N+0 HETATM 29 C UNK 0 22.673 2.310 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 24.006 1.540 0.000 0.00 0.00 C+0 HETATM 31 O UNK 0 24.006 0.000 0.000 0.00 0.00 O+0 HETATM 32 N UNK 0 25.340 2.310 0.000 0.00 0.00 N+0 HETATM 33 C UNK 0 26.674 1.540 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 28.007 2.310 0.000 0.00 0.00 C+0 HETATM 35 O UNK 0 28.007 3.850 0.000 0.00 0.00 O+0 HETATM 36 N UNK 0 29.341 1.540 0.000 0.00 0.00 N+0 HETATM 37 C UNK 0 30.675 2.310 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 32.008 1.540 0.000 0.00 0.00 C+0 HETATM 39 S UNK 0 32.008 0.000 0.000 0.00 0.00 S+0 HETATM 40 S UNK 0 33.342 -0.770 0.000 0.00 0.00 S+0 HETATM 41 C UNK 0 33.342 -2.310 0.000 0.00 0.00 C+0 HETATM 42 C UNK 0 32.008 -3.080 0.000 0.00 0.00 C+0 HETATM 43 C UNK 0 30.675 -2.310 0.000 0.00 0.00 C+0 HETATM 44 O UNK 0 30.675 -0.770 0.000 0.00 0.00 O+0 HETATM 45 N UNK 0 29.341 -3.080 0.000 0.00 0.00 N+0 HETATM 46 C UNK 0 28.007 -2.310 0.000 0.00 0.00 C+0 HETATM 47 C UNK 0 26.674 -3.080 0.000 0.00 0.00 C+0 HETATM 48 O UNK 0 26.674 -4.620 0.000 0.00 0.00 O+0 HETATM 49 N UNK 0 25.340 -2.310 0.000 0.00 0.00 N+0 HETATM 50 C UNK 0 24.006 -3.080 0.000 0.00 0.00 C+0 HETATM 51 C UNK 0 22.673 -2.310 0.000 0.00 0.00 C+0 HETATM 52 O UNK 0 22.673 -0.770 0.000 0.00 0.00 O+0 HETATM 53 N UNK 0 21.339 -3.080 0.000 0.00 0.00 N+0 HETATM 54 C UNK 0 20.005 -2.310 0.000 0.00 0.00 C+0 HETATM 55 C UNK 0 18.672 -3.080 0.000 0.00 0.00 C+0 HETATM 56 O UNK 0 18.672 -4.620 0.000 0.00 0.00 O+0 HETATM 57 N UNK 0 17.338 -2.310 0.000 0.00 0.00 N+0 HETATM 58 C UNK 0 16.004 -3.080 0.000 0.00 0.00 C+0 HETATM 59 C UNK 0 14.670 -2.310 0.000 0.00 0.00 C+0 HETATM 60 O UNK 0 14.670 -0.770 0.000 0.00 0.00 O+0 HETATM 61 N UNK 0 13.337 -3.080 0.000 0.00 0.00 N+0 HETATM 62 C UNK 0 12.003 -2.310 0.000 0.00 0.00 C+0 HETATM 63 C UNK 0 10.669 -3.080 0.000 0.00 0.00 C+0 HETATM 64 O UNK 0 10.669 -4.620 0.000 0.00 0.00 O+0 HETATM 65 N UNK 0 9.336 -2.310 0.000 0.00 0.00 N+0 HETATM 66 C UNK 0 8.002 -3.080 0.000 0.00 0.00 C+0 HETATM 67 C UNK 0 6.668 -2.310 0.000 0.00 0.00 C+0 HETATM 68 O UNK 0 6.668 -0.770 0.000 0.00 0.00 O+0 HETATM 69 N UNK 0 5.335 -3.080 0.000 0.00 0.00 N+0 HETATM 70 C UNK 0 4.001 -2.310 0.000 0.00 0.00 C+0 HETATM 71 C UNK 0 2.667 -3.080 0.000 0.00 0.00 C+0 HETATM 72 O UNK 0 1.762 -4.326 0.000 0.00 0.00 O+0 HETATM 73 N UNK 0 1.334 -2.310 0.000 0.00 0.00 N+0 HETATM 74 C UNK 0 4.001 -3.850 0.000 0.00 0.00 C+0 HETATM 75 C UNK 0 2.667 -4.620 0.000 0.00 0.00 C+0 HETATM 76 C UNK 0 2.667 -6.160 0.000 0.00 0.00 C+0 HETATM 77 N UNK 0 1.334 -6.930 0.000 0.00 0.00 N+0 HETATM 78 C UNK 0 1.334 -8.470 0.000 0.00 0.00 C+0 HETATM 79 N UNK 0 -0.000 -9.240 0.000 0.00 0.00 N+0 HETATM 80 N UNK 0 2.667 -9.240 0.000 0.00 0.00 N+0 HETATM 81 C UNK 0 8.002 -4.620 0.000 0.00 0.00 C+0 HETATM 82 C UNK 0 6.668 -5.390 0.000 0.00 0.00 C+0 HETATM 83 O UNK 0 6.668 -6.930 0.000 0.00 0.00 O+0 HETATM 84 O UNK 0 5.335 -4.620 0.000 0.00 0.00 O+0 HETATM 85 C UNK 0 12.003 -3.850 0.000 0.00 0.00 C+0 HETATM 86 C UNK 0 11.377 -5.257 0.000 0.00 0.00 C+0 HETATM 87 C UNK 0 13.337 -4.620 0.000 0.00 0.00 C+0 HETATM 88 C UNK 0 13.337 -6.160 0.000 0.00 0.00 C+0 HETATM 89 C UNK 0 16.004 -4.620 0.000 0.00 0.00 C+0 HETATM 90 C UNK 0 14.670 -5.390 0.000 0.00 0.00 C+0 HETATM 91 C UNK 0 14.670 -6.930 0.000 0.00 0.00 C+0 HETATM 92 N UNK 0 13.337 -7.700 0.000 0.00 0.00 N+0 HETATM 93 C UNK 0 13.337 -9.240 0.000 0.00 0.00 C+0 HETATM 94 N UNK 0 12.003 -10.010 0.000 0.00 0.00 N+0 HETATM 95 N UNK 0 14.670 -10.010 0.000 0.00 0.00 N+0 HETATM 96 C UNK 0 28.007 -3.850 0.000 0.00 0.00 C+0 HETATM 97 C UNK 0 29.341 -4.620 0.000 0.00 0.00 C+0 HETATM 98 C UNK 0 30.675 -3.850 0.000 0.00 0.00 C+0 HETATM 99 C UNK 0 32.008 -4.620 0.000 0.00 0.00 C+0 HETATM 100 C UNK 0 32.008 -6.160 0.000 0.00 0.00 C+0 HETATM 101 C UNK 0 30.675 -6.930 0.000 0.00 0.00 C+0 HETATM 102 C UNK 0 29.341 -6.160 0.000 0.00 0.00 C+0 HETATM 103 N UNK 0 32.913 -4.326 0.000 0.00 0.00 N+0 HETATM 104 C UNK 0 34.445 -4.165 0.000 0.00 0.00 C+0 HETATM 105 O UNK 0 35.071 -2.758 0.000 0.00 0.00 O+0 HETATM 106 C UNK 0 35.350 -5.411 0.000 0.00 0.00 C+0 HETATM 107 C UNK 0 34.724 -6.818 0.000 0.00 0.00 C+0 HETATM 108 O UNK 0 35.629 -8.064 0.000 0.00 0.00 O+0 HETATM 109 N UNK 0 36.882 -5.250 0.000 0.00 0.00 N+0 HETATM 110 C UNK 0 37.787 -6.496 0.000 0.00 0.00 C+0 HETATM 111 O UNK 0 37.161 -7.903 0.000 0.00 0.00 O+0 HETATM 112 C UNK 0 39.319 -6.335 0.000 0.00 0.00 C+0 HETATM 113 C UNK 0 39.945 -4.928 0.000 0.00 0.00 C+0 HETATM 114 O UNK 0 39.040 -3.682 0.000 0.00 0.00 O+0 HETATM 115 N UNK 0 40.224 -7.581 0.000 0.00 0.00 N+0 HETATM 116 C UNK 0 41.755 -7.420 0.000 0.00 0.00 C+0 HETATM 117 O UNK 0 42.382 -6.013 0.000 0.00 0.00 O+0 HETATM 118 C UNK 0 42.661 -8.666 0.000 0.00 0.00 C+0 HETATM 119 C UNK 0 44.192 -8.505 0.000 0.00 0.00 C+0 HETATM 120 C UNK 0 45.097 -9.750 0.000 0.00 0.00 C+0 HETATM 121 C UNK 0 46.629 -9.589 0.000 0.00 0.00 C+0 HETATM 122 N UNK 0 47.534 -10.835 0.000 0.00 0.00 N+0 HETATM 123 C UNK 0 49.066 -10.674 0.000 0.00 0.00 C+0 HETATM 124 N UNK 0 49.692 -9.268 0.000 0.00 0.00 N+0 HETATM 125 N UNK 0 49.971 -11.920 0.000 0.00 0.00 N+0 HETATM 126 N UNK 0 42.034 -10.072 0.000 0.00 0.00 N+0 HETATM 127 C UNK 0 30.675 3.850 0.000 0.00 0.00 C+0 HETATM 128 O UNK 0 29.341 4.620 0.000 0.00 0.00 O+0 HETATM 129 N UNK 0 32.008 4.620 0.000 0.00 0.00 N+0 HETATM 130 C UNK 0 32.008 6.160 0.000 0.00 0.00 C+0 HETATM 131 C UNK 0 30.675 6.930 0.000 0.00 0.00 C+0 HETATM 132 C UNK 0 29.341 6.160 0.000 0.00 0.00 C+0 HETATM 133 O UNK 0 28.436 4.914 0.000 0.00 0.00 O+0 HETATM 134 N UNK 0 28.007 6.930 0.000 0.00 0.00 N+0 HETATM 135 C UNK 0 33.342 6.930 0.000 0.00 0.00 C+0 HETATM 136 O UNK 0 33.342 8.470 0.000 0.00 0.00 O+0 HETATM 137 N UNK 0 34.676 6.160 0.000 0.00 0.00 N+0 HETATM 138 C UNK 0 36.009 6.930 0.000 0.00 0.00 C+0 HETATM 139 C UNK 0 36.009 8.470 0.000 0.00 0.00 C+0 HETATM 140 O UNK 0 37.343 9.240 0.000 0.00 0.00 O+0 HETATM 141 C UNK 0 37.343 6.160 0.000 0.00 0.00 C+0 HETATM 142 O UNK 0 37.343 4.620 0.000 0.00 0.00 O+0 HETATM 143 N UNK 0 38.677 6.930 0.000 0.00 0.00 N+0 HETATM 144 C UNK 0 40.010 6.160 0.000 0.00 0.00 C+0 HETATM 145 C UNK 0 40.010 4.620 0.000 0.00 0.00 C+0 HETATM 146 C UNK 0 41.344 3.850 0.000 0.00 0.00 C+0 HETATM 147 C UNK 0 42.678 4.620 0.000 0.00 0.00 C+0 HETATM 148 C UNK 0 44.011 3.850 0.000 0.00 0.00 C+0 HETATM 149 C UNK 0 44.011 2.310 0.000 0.00 0.00 C+0 HETATM 150 C UNK 0 42.678 1.540 0.000 0.00 0.00 C+0 HETATM 151 C UNK 0 41.344 2.310 0.000 0.00 0.00 C+0 HETATM 152 C UNK 0 41.344 6.930 0.000 0.00 0.00 C+0 HETATM 153 O UNK 0 41.344 8.470 0.000 0.00 0.00 O+0 HETATM 154 N UNK 0 42.678 6.160 0.000 0.00 0.00 N+0 HETATM 155 C UNK 0 44.011 6.930 0.000 0.00 0.00 C+0 HETATM 156 C UNK 0 45.345 6.160 0.000 0.00 0.00 C+0 HETATM 157 C UNK 0 46.679 6.930 0.000 0.00 0.00 C+0 HETATM 158 C UNK 0 48.012 6.160 0.000 0.00 0.00 C+0 HETATM 159 N UNK 0 49.346 6.930 0.000 0.00 0.00 N+0 HETATM 160 C UNK 0 50.680 6.160 0.000 0.00 0.00 C+0 HETATM 161 N UNK 0 52.013 6.930 0.000 0.00 0.00 N+0 HETATM 162 N UNK 0 50.680 4.620 0.000 0.00 0.00 N+0 HETATM 163 C UNK 0 44.011 8.470 0.000 0.00 0.00 C+0 HETATM 164 O UNK 0 45.345 9.240 0.000 0.00 0.00 O+0 HETATM 165 O UNK 0 42.678 9.240 0.000 0.00 0.00 O+0 HETATM 166 C UNK 0 22.673 3.850 0.000 0.00 0.00 C+0 HETATM 167 C UNK 0 24.006 4.620 0.000 0.00 0.00 C+0 HETATM 168 C UNK 0 24.006 6.160 0.000 0.00 0.00 C+0 HETATM 169 C UNK 0 25.340 3.850 0.000 0.00 0.00 C+0 HETATM 170 C UNK 0 14.670 3.850 0.000 0.00 0.00 C+0 HETATM 171 O UNK 0 16.004 4.620 0.000 0.00 0.00 O+0 HETATM 172 C UNK 0 10.669 3.080 0.000 0.00 0.00 C+0 HETATM 173 C UNK 0 9.336 3.850 0.000 0.00 0.00 C+0 HETATM 174 C UNK 0 9.336 5.390 0.000 0.00 0.00 C+0 HETATM 175 O UNK 0 10.669 6.160 0.000 0.00 0.00 O+0 HETATM 176 N UNK 0 8.002 6.160 0.000 0.00 0.00 N+0 HETATM 177 C UNK 0 6.668 3.850 0.000 0.00 0.00 C+0 CONECT 1 2 CONECT 2 1 3 CONECT 3 2 4 5 CONECT 4 3 CONECT 5 3 6 73 CONECT 6 5 7 8 CONECT 7 6 CONECT 8 6 9 CONECT 9 8 10 CONECT 10 9 11 12 CONECT 11 10 CONECT 12 10 13 CONECT 13 12 14 177 CONECT 14 13 15 16 CONECT 15 14 CONECT 16 14 17 CONECT 17 16 18 172 CONECT 18 17 19 20 CONECT 19 18 CONECT 20 18 21 CONECT 21 20 22 170 CONECT 22 21 23 24 CONECT 23 22 CONECT 24 22 25 CONECT 25 24 26 CONECT 26 25 27 28 CONECT 27 26 CONECT 28 26 29 CONECT 29 28 30 166 CONECT 30 29 31 32 CONECT 31 30 CONECT 32 30 33 CONECT 33 32 34 CONECT 34 33 35 36 CONECT 35 34 CONECT 36 34 37 CONECT 37 36 38 127 CONECT 38 37 39 CONECT 39 38 40 CONECT 40 39 41 CONECT 41 40 42 CONECT 42 41 43 103 CONECT 43 42 44 45 CONECT 44 43 CONECT 45 43 46 CONECT 46 45 47 96 CONECT 47 46 48 49 CONECT 48 47 CONECT 49 47 50 CONECT 50 49 51 CONECT 51 50 52 53 CONECT 52 51 CONECT 53 51 54 CONECT 54 53 55 CONECT 55 54 56 57 CONECT 56 55 CONECT 57 55 58 CONECT 58 57 59 89 CONECT 59 58 60 61 CONECT 60 59 CONECT 61 59 62 CONECT 62 61 63 85 CONECT 63 62 64 65 CONECT 64 63 CONECT 65 63 66 CONECT 66 65 67 81 CONECT 67 66 68 69 CONECT 68 67 CONECT 69 67 70 CONECT 70 69 71 74 CONECT 71 70 72 73 CONECT 72 71 CONECT 73 71 5 CONECT 74 70 75 CONECT 75 74 76 CONECT 76 75 77 CONECT 77 76 78 CONECT 78 77 79 80 CONECT 79 78 CONECT 80 78 CONECT 81 66 82 CONECT 82 81 83 84 CONECT 83 82 CONECT 84 82 CONECT 85 62 86 87 CONECT 86 85 CONECT 87 85 88 CONECT 88 87 CONECT 89 58 90 CONECT 90 89 91 CONECT 91 90 92 CONECT 92 91 93 CONECT 93 92 94 95 CONECT 94 93 CONECT 95 93 CONECT 96 46 97 CONECT 97 96 98 102 CONECT 98 97 99 CONECT 99 98 100 CONECT 100 99 101 CONECT 101 100 102 CONECT 102 101 97 CONECT 103 42 104 CONECT 104 103 105 106 CONECT 105 104 CONECT 106 104 107 109 CONECT 107 106 108 CONECT 108 107 CONECT 109 106 110 CONECT 110 109 111 112 CONECT 111 110 CONECT 112 110 113 115 CONECT 113 112 114 CONECT 114 113 CONECT 115 112 116 CONECT 116 115 117 118 CONECT 117 116 CONECT 118 116 119 126 CONECT 119 118 120 CONECT 120 119 121 CONECT 121 120 122 CONECT 122 121 123 CONECT 123 122 124 125 CONECT 124 123 CONECT 125 123 CONECT 126 118 CONECT 127 37 128 129 CONECT 128 127 CONECT 129 127 130 CONECT 130 129 131 135 CONECT 131 130 132 CONECT 132 131 133 134 CONECT 133 132 CONECT 134 132 CONECT 135 130 136 137 CONECT 136 135 CONECT 137 135 138 CONECT 138 137 139 141 CONECT 139 138 140 CONECT 140 139 CONECT 141 138 142 143 CONECT 142 141 CONECT 143 141 144 CONECT 144 143 145 152 CONECT 145 144 146 CONECT 146 145 147 151 CONECT 147 146 148 CONECT 148 147 149 CONECT 149 148 150 CONECT 150 149 151 CONECT 151 150 146 CONECT 152 144 153 154 CONECT 153 152 CONECT 154 152 155 CONECT 155 154 156 163 CONECT 156 155 157 CONECT 157 156 158 CONECT 158 157 159 CONECT 159 158 160 CONECT 160 159 161 162 CONECT 161 160 CONECT 162 160 CONECT 163 155 164 165 CONECT 164 163 CONECT 165 163 CONECT 166 29 167 CONECT 167 166 168 169 CONECT 168 167 CONECT 169 167 CONECT 170 21 171 CONECT 171 170 CONECT 172 17 173 CONECT 173 172 174 CONECT 174 173 175 176 CONECT 175 174 CONECT 176 174 CONECT 177 13 MASTER 0 0 0 0 0 0 0 0 177 0 358 0 END 3D PDB for HMDB0247646 (Atrial natriuretic factor prohormone (8-33))COMPND HMDB0247646 HETATM 1 C1 UNL 1 -13.155 -4.520 3.617 1.00 0.00 C HETATM 2 C2 UNL 1 -12.449 -3.925 2.471 1.00 0.00 C HETATM 3 C3 UNL 1 -13.170 -3.908 1.152 1.00 0.00 C HETATM 4 C4 UNL 1 -14.397 -3.176 0.958 1.00 0.00 C HETATM 5 C5 UNL 1 -12.265 -4.348 0.015 1.00 0.00 C HETATM 6 N1 UNL 1 -11.001 -3.678 0.046 1.00 0.00 N HETATM 7 C6 UNL 1 -10.473 -2.466 -0.244 1.00 0.00 C HETATM 8 O1 UNL 1 -9.212 -2.579 -0.751 1.00 0.00 O HETATM 9 C7 UNL 1 -10.786 -1.066 -0.128 1.00 0.00 C HETATM 10 C8 UNL 1 -11.641 -0.501 -1.325 1.00 0.00 C HETATM 11 C9 UNL 1 -12.998 -1.074 -1.236 1.00 0.00 C HETATM 12 C10 UNL 1 -14.127 -1.132 -2.101 1.00 0.00 C HETATM 13 N2 UNL 1 -14.954 -0.004 -2.432 1.00 0.00 N HETATM 14 C11 UNL 1 -16.361 -0.178 -2.628 1.00 0.00 C HETATM 15 N3 UNL 1 -16.961 0.585 -3.513 1.00 0.00 N HETATM 16 N4 UNL 1 -17.156 -1.114 -1.942 1.00 0.00 N HETATM 17 N5 UNL 1 -9.770 -0.193 0.322 1.00 0.00 N HETATM 18 C12 UNL 1 -10.050 1.166 0.719 1.00 0.00 C HETATM 19 O2 UNL 1 -9.269 2.060 0.407 1.00 0.00 O HETATM 20 C13 UNL 1 -11.317 1.447 1.474 1.00 0.00 C HETATM 21 C14 UNL 1 -11.278 0.951 2.879 1.00 0.00 C HETATM 22 C15 UNL 1 -12.581 1.181 3.530 1.00 0.00 C HETATM 23 O3 UNL 1 -12.708 1.207 4.773 1.00 0.00 O HETATM 24 O4 UNL 1 -13.689 1.385 2.735 1.00 0.00 O HETATM 25 N6 UNL 1 -11.523 2.880 1.331 1.00 0.00 N HETATM 26 C16 UNL 1 -11.440 3.899 2.229 1.00 0.00 C HETATM 27 O5 UNL 1 -12.537 4.638 2.333 1.00 0.00 O HETATM 28 C17 UNL 1 -10.409 4.432 3.164 1.00 0.00 C HETATM 29 C18 UNL 1 -10.796 4.101 4.549 1.00 0.00 C HETATM 30 C19 UNL 1 -9.816 4.779 5.542 1.00 0.00 C HETATM 31 C20 UNL 1 -12.132 4.364 5.099 1.00 0.00 C HETATM 32 C21 UNL 1 -12.481 5.818 5.211 1.00 0.00 C HETATM 33 N7 UNL 1 -10.041 5.730 2.823 1.00 0.00 N HETATM 34 C22 UNL 1 -8.790 6.242 2.329 1.00 0.00 C HETATM 35 O6 UNL 1 -8.702 6.957 1.341 1.00 0.00 O HETATM 36 C23 UNL 1 -7.466 5.806 3.028 1.00 0.00 C HETATM 37 C24 UNL 1 -7.500 6.657 4.246 1.00 0.00 C HETATM 38 C25 UNL 1 -6.604 6.369 5.384 1.00 0.00 C HETATM 39 C26 UNL 1 -7.364 6.857 6.687 1.00 0.00 C HETATM 40 N8 UNL 1 -7.791 8.208 6.584 1.00 0.00 N HETATM 41 C27 UNL 1 -9.090 8.643 6.913 1.00 0.00 C HETATM 42 N9 UNL 1 -9.561 8.585 8.115 1.00 0.00 N HETATM 43 N10 UNL 1 -9.944 9.183 5.912 1.00 0.00 N HETATM 44 N11 UNL 1 -6.442 6.080 2.049 1.00 0.00 N HETATM 45 C28 UNL 1 -5.060 6.129 2.234 1.00 0.00 C HETATM 46 O7 UNL 1 -4.378 7.064 1.689 1.00 0.00 O HETATM 47 C29 UNL 1 -4.274 5.169 3.048 1.00 0.00 C HETATM 48 N12 UNL 1 -3.389 4.494 2.117 1.00 0.00 N HETATM 49 C30 UNL 1 -1.998 4.657 2.136 1.00 0.00 C HETATM 50 O8 UNL 1 -1.285 3.744 1.655 1.00 0.00 O HETATM 51 C31 UNL 1 -1.291 5.844 2.706 1.00 0.00 C HETATM 52 N13 UNL 1 -0.653 6.584 1.622 1.00 0.00 N HETATM 53 C32 UNL 1 0.480 6.043 0.955 1.00 0.00 C HETATM 54 O9 UNL 1 0.312 6.099 -0.332 1.00 0.00 O HETATM 55 C33 UNL 1 1.739 5.502 1.464 1.00 0.00 C HETATM 56 C34 UNL 1 2.918 6.242 1.882 1.00 0.00 C HETATM 57 C35 UNL 1 2.763 7.159 3.029 1.00 0.00 C HETATM 58 C36 UNL 1 3.450 6.943 4.212 1.00 0.00 C HETATM 59 C37 UNL 1 3.272 7.758 5.276 1.00 0.00 C HETATM 60 C38 UNL 1 2.390 8.830 5.163 1.00 0.00 C HETATM 61 C39 UNL 1 1.657 9.032 4.033 1.00 0.00 C HETATM 62 C40 UNL 1 1.846 8.177 2.937 1.00 0.00 C HETATM 63 N14 UNL 1 1.955 4.233 0.751 1.00 0.00 N HETATM 64 C41 UNL 1 3.170 3.562 0.543 1.00 0.00 C HETATM 65 O10 UNL 1 3.307 2.428 0.969 1.00 0.00 O HETATM 66 C42 UNL 1 4.322 4.094 -0.334 1.00 0.00 C HETATM 67 N15 UNL 1 3.951 5.321 -0.953 1.00 0.00 N HETATM 68 C43 UNL 1 2.868 5.518 -1.877 1.00 0.00 C HETATM 69 O11 UNL 1 2.171 4.539 -2.232 1.00 0.00 O HETATM 70 C44 UNL 1 2.611 6.887 -2.363 1.00 0.00 C HETATM 71 C45 UNL 1 2.687 7.758 -1.042 1.00 0.00 C HETATM 72 O12 UNL 1 2.203 8.971 -1.076 1.00 0.00 O HETATM 73 N16 UNL 1 3.611 7.469 -3.101 1.00 0.00 N HETATM 74 C46 UNL 1 3.531 8.950 -3.262 1.00 0.00 C HETATM 75 O13 UNL 1 2.535 9.573 -2.957 1.00 0.00 O HETATM 76 C47 UNL 1 4.723 9.537 -3.777 1.00 0.00 C HETATM 77 C48 UNL 1 5.662 9.585 -2.395 1.00 0.00 C HETATM 78 O14 UNL 1 6.829 9.051 -2.637 1.00 0.00 O HETATM 79 N17 UNL 1 5.366 10.471 -4.438 1.00 0.00 N HETATM 80 C49 UNL 1 5.521 10.554 -5.837 1.00 0.00 C HETATM 81 O15 UNL 1 4.956 9.874 -6.647 1.00 0.00 O HETATM 82 C50 UNL 1 6.715 11.583 -6.091 1.00 0.00 C HETATM 83 N18 UNL 1 7.796 11.072 -5.310 1.00 0.00 N HETATM 84 C51 UNL 1 6.982 11.600 -7.526 1.00 0.00 C HETATM 85 C52 UNL 1 6.398 12.869 -8.131 1.00 0.00 C HETATM 86 C53 UNL 1 7.419 13.982 -7.886 1.00 0.00 C HETATM 87 N19 UNL 1 8.481 13.846 -8.932 1.00 0.00 N HETATM 88 C54 UNL 1 8.675 15.104 -9.590 1.00 0.00 C HETATM 89 N20 UNL 1 8.033 15.363 -10.691 1.00 0.00 N HETATM 90 N21 UNL 1 9.546 16.043 -8.974 1.00 0.00 N HETATM 91 C55 UNL 1 4.699 3.063 -1.325 1.00 0.00 C HETATM 92 S1 UNL 1 6.427 2.508 -1.247 1.00 0.00 S HETATM 93 S2 UNL 1 6.558 0.424 -1.831 1.00 0.00 S HETATM 94 C56 UNL 1 5.150 -0.388 -0.993 1.00 0.00 C HETATM 95 C57 UNL 1 4.872 -1.733 -1.501 1.00 0.00 C HETATM 96 C58 UNL 1 6.046 -2.617 -1.139 1.00 0.00 C HETATM 97 O16 UNL 1 6.201 -3.760 -1.534 1.00 0.00 O HETATM 98 N22 UNL 1 7.059 -2.090 -0.247 1.00 0.00 N HETATM 99 C59 UNL 1 8.112 -3.030 -0.286 1.00 0.00 C HETATM 100 C60 UNL 1 8.651 -4.148 0.310 1.00 0.00 C HETATM 101 C61 UNL 1 9.756 -4.680 -0.641 1.00 0.00 C HETATM 102 N23 UNL 1 9.483 -4.416 -2.031 1.00 0.00 N HETATM 103 O17 UNL 1 10.753 -5.292 -0.298 1.00 0.00 O HETATM 104 C62 UNL 1 9.275 -1.912 -0.299 1.00 0.00 C HETATM 105 O18 UNL 1 9.520 -1.265 -1.315 1.00 0.00 O HETATM 106 N24 UNL 1 9.770 -1.893 0.921 1.00 0.00 N HETATM 107 C63 UNL 1 10.798 -1.461 1.688 1.00 0.00 C HETATM 108 C64 UNL 1 10.732 -1.646 3.153 1.00 0.00 C HETATM 109 O19 UNL 1 10.501 -2.986 3.413 1.00 0.00 O HETATM 110 C65 UNL 1 11.958 -2.171 1.098 1.00 0.00 C HETATM 111 O20 UNL 1 12.565 -1.782 0.049 1.00 0.00 O HETATM 112 N25 UNL 1 12.416 -3.298 1.747 1.00 0.00 N HETATM 113 C66 UNL 1 13.647 -3.890 1.297 1.00 0.00 C HETATM 114 C67 UNL 1 14.564 -2.768 2.139 1.00 0.00 C HETATM 115 C68 UNL 1 14.304 -2.874 3.552 1.00 0.00 C HETATM 116 C69 UNL 1 15.197 -2.030 4.316 1.00 0.00 C HETATM 117 C70 UNL 1 15.156 -2.089 5.703 1.00 0.00 C HETATM 118 C71 UNL 1 14.339 -2.927 6.371 1.00 0.00 C HETATM 119 C72 UNL 1 13.528 -3.793 5.695 1.00 0.00 C HETATM 120 C73 UNL 1 13.542 -3.694 4.299 1.00 0.00 C HETATM 121 C74 UNL 1 14.076 -5.074 2.043 1.00 0.00 C HETATM 122 O21 UNL 1 13.371 -5.833 2.671 1.00 0.00 O HETATM 123 N26 UNL 1 15.500 -5.208 2.037 1.00 0.00 N HETATM 124 C75 UNL 1 16.144 -6.021 2.975 1.00 0.00 C HETATM 125 C76 UNL 1 15.414 -6.909 3.877 1.00 0.00 C HETATM 126 C77 UNL 1 16.434 -7.334 4.973 1.00 0.00 C HETATM 127 C78 UNL 1 16.746 -6.101 5.843 1.00 0.00 C HETATM 128 N27 UNL 1 18.041 -6.300 6.425 1.00 0.00 N HETATM 129 C79 UNL 1 18.574 -6.159 7.710 1.00 0.00 C HETATM 130 N28 UNL 1 19.276 -7.165 8.207 1.00 0.00 N HETATM 131 N29 UNL 1 18.328 -5.038 8.537 1.00 0.00 N HETATM 132 C80 UNL 1 17.511 -6.261 2.515 1.00 0.00 C HETATM 133 O22 UNL 1 18.515 -5.684 2.926 1.00 0.00 O HETATM 134 O23 UNL 1 17.798 -7.250 1.494 1.00 0.00 O HETATM 135 N30 UNL 1 5.248 -1.885 -2.977 1.00 0.00 N HETATM 136 C81 UNL 1 4.910 -2.879 -3.802 1.00 0.00 C HETATM 137 O24 UNL 1 5.147 -2.721 -5.080 1.00 0.00 O HETATM 138 C82 UNL 1 4.328 -4.214 -3.400 1.00 0.00 C HETATM 139 N31 UNL 1 3.629 -4.793 -4.562 1.00 0.00 N HETATM 140 C83 UNL 1 2.239 -5.145 -4.427 1.00 0.00 C HETATM 141 O25 UNL 1 1.592 -4.887 -5.488 1.00 0.00 O HETATM 142 C84 UNL 1 1.708 -5.723 -3.200 1.00 0.00 C HETATM 143 C85 UNL 1 1.849 -7.215 -3.050 1.00 0.00 C HETATM 144 C86 UNL 1 1.219 -8.039 -4.097 1.00 0.00 C HETATM 145 C87 UNL 1 1.716 -7.874 -5.488 1.00 0.00 C HETATM 146 C88 UNL 1 1.316 -9.490 -3.691 1.00 0.00 C HETATM 147 N32 UNL 1 0.399 -5.262 -2.797 1.00 0.00 N HETATM 148 C89 UNL 1 -0.842 -5.506 -3.395 1.00 0.00 C HETATM 149 O26 UNL 1 -1.751 -6.017 -2.647 1.00 0.00 O HETATM 150 C90 UNL 1 -1.220 -5.293 -4.821 1.00 0.00 C HETATM 151 N33 UNL 1 -2.680 -5.433 -4.965 1.00 0.00 N HETATM 152 C91 UNL 1 -3.320 -6.637 -4.623 1.00 0.00 C HETATM 153 O27 UNL 1 -4.424 -6.612 -4.017 1.00 0.00 O HETATM 154 C92 UNL 1 -2.768 -8.015 -4.923 1.00 0.00 C HETATM 155 C93 UNL 1 -3.694 -8.619 -5.993 1.00 0.00 C HETATM 156 O28 UNL 1 -3.360 -9.896 -6.334 1.00 0.00 O HETATM 157 N34 UNL 1 -2.707 -8.790 -3.730 1.00 0.00 N HETATM 158 C94 UNL 1 -3.607 -9.011 -2.705 1.00 0.00 C HETATM 159 O29 UNL 1 -3.062 -8.834 -1.505 1.00 0.00 O HETATM 160 C95 UNL 1 -4.986 -9.368 -2.628 1.00 0.00 C HETATM 161 C96 UNL 1 -5.321 -10.799 -2.611 1.00 0.00 C HETATM 162 C97 UNL 1 -5.118 -11.768 -3.651 1.00 0.00 C HETATM 163 C98 UNL 1 -3.880 -12.359 -3.935 1.00 0.00 C HETATM 164 N35 UNL 1 -3.707 -13.749 -3.449 1.00 0.00 N HETATM 165 O30 UNL 1 -2.879 -11.923 -4.498 1.00 0.00 O HETATM 166 N36 UNL 1 -5.787 -8.636 -1.604 1.00 0.00 N HETATM 167 C99 UNL 1 -7.153 -8.770 -1.438 1.00 0.00 C HETATM 168 O31 UNL 1 -7.535 -9.036 -0.223 1.00 0.00 O HETATM 169 CA0 UNL 1 -8.257 -8.663 -2.408 1.00 0.00 C HETATM 170 CA1 UNL 1 -8.146 -9.473 -3.650 1.00 0.00 C HETATM 171 N37 UNL 1 -9.531 -8.986 -1.772 1.00 0.00 N HETATM 172 CA2 UNL 1 -10.006 -8.453 -0.580 1.00 0.00 C HETATM 173 O32 UNL 1 -10.469 -9.203 0.338 1.00 0.00 O HETATM 174 CA3 UNL 1 -10.042 -6.985 -0.216 1.00 0.00 C HETATM 175 N38 UNL 1 -11.349 -6.756 0.350 1.00 0.00 N HETATM 176 CA4 UNL 1 -12.304 -5.809 -0.023 1.00 0.00 C HETATM 177 O33 UNL 1 -13.401 -6.312 -0.503 1.00 0.00 O HETATM 178 H1 UNL 1 -12.589 -5.452 3.911 1.00 0.00 H HETATM 179 H2 UNL 1 -14.168 -4.879 3.328 1.00 0.00 H HETATM 180 H3 UNL 1 -13.175 -3.834 4.472 1.00 0.00 H HETATM 181 H4 UNL 1 -12.367 -2.756 2.712 1.00 0.00 H HETATM 182 H5 UNL 1 -11.382 -4.158 2.355 1.00 0.00 H HETATM 183 H6 UNL 1 -13.755 -5.029 1.364 1.00 0.00 H HETATM 184 H7 UNL 1 -14.674 -3.148 -0.144 1.00 0.00 H HETATM 185 H8 UNL 1 -14.285 -2.106 1.325 1.00 0.00 H HETATM 186 H9 UNL 1 -15.297 -3.536 1.485 1.00 0.00 H HETATM 187 H10 UNL 1 -12.821 -4.006 -0.944 1.00 0.00 H HETATM 188 H11 UNL 1 -10.236 -4.406 0.454 1.00 0.00 H HETATM 189 H12 UNL 1 -11.607 -0.961 0.713 1.00 0.00 H HETATM 190 H13 UNL 1 -11.106 -0.935 -2.238 1.00 0.00 H HETATM 191 H14 UNL 1 -11.596 0.561 -1.327 1.00 0.00 H HETATM 192 H15 UNL 1 -13.076 -1.571 -0.232 1.00 0.00 H HETATM 193 H16 UNL 1 -13.501 0.022 -0.593 1.00 0.00 H HETATM 194 H17 UNL 1 -14.827 -2.006 -1.989 1.00 0.00 H HETATM 195 H18 UNL 1 -13.696 -1.439 -3.193 1.00 0.00 H HETATM 196 H19 UNL 1 -14.528 0.918 -2.583 1.00 0.00 H HETATM 197 H20 UNL 1 -18.007 0.442 -3.644 1.00 0.00 H HETATM 198 H21 UNL 1 -17.368 -2.073 -2.290 1.00 0.00 H HETATM 199 H22 UNL 1 -17.556 -0.892 -0.989 1.00 0.00 H HETATM 200 H23 UNL 1 -8.778 -0.508 0.412 1.00 0.00 H HETATM 201 H24 UNL 1 -12.126 0.908 0.976 1.00 0.00 H HETATM 202 H25 UNL 1 -10.403 1.339 3.434 1.00 0.00 H HETATM 203 H26 UNL 1 -11.135 -0.146 2.875 1.00 0.00 H HETATM 204 H27 UNL 1 -14.460 1.941 3.019 1.00 0.00 H HETATM 205 H28 UNL 1 -11.777 3.118 0.285 1.00 0.00 H HETATM 206 H29 UNL 1 -9.442 3.796 2.978 1.00 0.00 H HETATM 207 H30 UNL 1 -10.567 3.000 4.749 1.00 0.00 H HETATM 208 H31 UNL 1 -9.626 5.801 5.145 1.00 0.00 H HETATM 209 H32 UNL 1 -8.958 4.192 5.758 1.00 0.00 H HETATM 210 H33 UNL 1 -10.377 5.011 6.497 1.00 0.00 H HETATM 211 H34 UNL 1 -12.225 3.876 6.075 1.00 0.00 H HETATM 212 H35 UNL 1 -12.949 3.843 4.482 1.00 0.00 H HETATM 213 H36 UNL 1 -12.789 6.037 6.315 1.00 0.00 H HETATM 214 H37 UNL 1 -13.387 6.038 4.650 1.00 0.00 H HETATM 215 H38 UNL 1 -11.629 6.519 5.098 1.00 0.00 H HETATM 216 H39 UNL 1 -10.785 6.496 2.948 1.00 0.00 H HETATM 217 H40 UNL 1 -7.555 4.751 3.273 1.00 0.00 H HETATM 218 H41 UNL 1 -6.863 7.685 3.752 1.00 0.00 H HETATM 219 H42 UNL 1 -8.349 7.259 4.481 1.00 0.00 H HETATM 220 H43 UNL 1 -5.674 6.818 5.368 1.00 0.00 H HETATM 221 H44 UNL 1 -6.638 5.237 5.637 1.00 0.00 H HETATM 222 H45 UNL 1 -8.123 6.123 6.978 1.00 0.00 H HETATM 223 H46 UNL 1 -6.579 6.754 7.500 1.00 0.00 H HETATM 224 H47 UNL 1 -7.060 8.919 6.288 1.00 0.00 H HETATM 225 H48 UNL 1 -8.913 8.180 8.895 1.00 0.00 H HETATM 226 H49 UNL 1 -9.955 10.222 5.732 1.00 0.00 H HETATM 227 H50 UNL 1 -10.581 8.550 5.379 1.00 0.00 H HETATM 228 H51 UNL 1 -6.754 6.245 1.023 1.00 0.00 H HETATM 229 H52 UNL 1 -4.892 4.440 3.565 1.00 0.00 H HETATM 230 H53 UNL 1 -3.693 5.711 3.818 1.00 0.00 H HETATM 231 H54 UNL 1 -3.824 3.872 1.398 1.00 0.00 H HETATM 232 H55 UNL 1 -2.032 6.492 3.174 1.00 0.00 H HETATM 233 H56 UNL 1 -0.569 5.501 3.430 1.00 0.00 H HETATM 234 H57 UNL 1 -1.057 7.478 1.304 1.00 0.00 H HETATM 235 H58 UNL 1 1.349 5.093 2.534 1.00 0.00 H HETATM 236 H59 UNL 1 3.484 6.927 1.177 1.00 0.00 H HETATM 237 H60 UNL 1 3.722 5.477 2.173 1.00 0.00 H HETATM 238 H61 UNL 1 4.140 6.126 4.189 1.00 0.00 H HETATM 239 H62 UNL 1 3.842 7.615 6.135 1.00 0.00 H HETATM 240 H63 UNL 1 2.228 9.484 6.035 1.00 0.00 H HETATM 241 H64 UNL 1 0.941 9.863 3.921 1.00 0.00 H HETATM 242 H65 UNL 1 1.280 8.412 2.039 1.00 0.00 H HETATM 243 H66 UNL 1 1.071 3.797 0.377 1.00 0.00 H HETATM 244 H67 UNL 1 5.114 4.335 0.429 1.00 0.00 H HETATM 245 H68 UNL 1 4.575 6.162 -0.775 1.00 0.00 H HETATM 246 H69 UNL 1 1.523 7.047 -2.664 1.00 0.00 H HETATM 247 H70 UNL 1 3.883 7.915 -1.024 1.00 0.00 H HETATM 248 H71 UNL 1 2.563 7.117 -0.261 1.00 0.00 H HETATM 249 H72 UNL 1 2.178 9.366 -0.145 1.00 0.00 H HETATM 250 H73 UNL 1 4.417 7.029 -3.582 1.00 0.00 H HETATM 251 H74 UNL 1 5.289 8.525 -4.295 1.00 0.00 H HETATM 252 H75 UNL 1 5.053 9.600 -1.587 1.00 0.00 H HETATM 253 H76 UNL 1 5.930 10.789 -2.466 1.00 0.00 H HETATM 254 H77 UNL 1 7.612 9.513 -2.962 1.00 0.00 H HETATM 255 H78 UNL 1 5.718 11.362 -3.911 1.00 0.00 H HETATM 256 H79 UNL 1 6.283 12.515 -5.654 1.00 0.00 H HETATM 257 H80 UNL 1 8.290 11.612 -4.640 1.00 0.00 H HETATM 258 H81 UNL 1 8.432 10.496 -5.901 1.00 0.00 H HETATM 259 H82 UNL 1 6.429 10.753 -8.058 1.00 0.00 H HETATM 260 H83 UNL 1 8.011 11.527 -7.845 1.00 0.00 H HETATM 261 H84 UNL 1 5.388 13.147 -7.722 1.00 0.00 H HETATM 262 H85 UNL 1 6.305 12.744 -9.191 1.00 0.00 H HETATM 263 H86 UNL 1 8.029 13.584 -6.989 1.00 0.00 H HETATM 264 H87 UNL 1 7.094 14.940 -7.677 1.00 0.00 H HETATM 265 H88 UNL 1 8.980 13.019 -9.157 1.00 0.00 H HETATM 266 H89 UNL 1 7.392 14.610 -11.084 1.00 0.00 H HETATM 267 H90 UNL 1 9.325 17.082 -9.112 1.00 0.00 H HETATM 268 H91 UNL 1 10.372 15.673 -8.499 1.00 0.00 H HETATM 269 H92 UNL 1 4.116 2.112 -1.066 1.00 0.00 H HETATM 270 H93 UNL 1 4.449 3.230 -2.366 1.00 0.00 H HETATM 271 H94 UNL 1 5.352 -0.459 0.110 1.00 0.00 H HETATM 272 H95 UNL 1 4.308 0.266 -1.115 1.00 0.00 H HETATM 273 H96 UNL 1 3.962 -2.173 -1.260 1.00 0.00 H HETATM 274 H97 UNL 1 6.955 -1.252 0.266 1.00 0.00 H HETATM 275 H98 UNL 1 8.151 -3.271 -1.467 1.00 0.00 H HETATM 276 H99 UNL 1 7.923 -5.000 0.454 1.00 0.00 H HETATM 277 HA0 UNL 1 9.168 -4.075 1.283 1.00 0.00 H HETATM 278 HA1 UNL 1 8.706 -4.891 -2.504 1.00 0.00 H HETATM 279 HA2 UNL 1 10.091 -3.788 -2.558 1.00 0.00 H HETATM 280 HA3 UNL 1 8.948 -2.381 1.706 1.00 0.00 H HETATM 281 HA4 UNL 1 11.049 -0.356 1.421 1.00 0.00 H HETATM 282 HA5 UNL 1 11.799 -1.399 3.516 1.00 0.00 H HETATM 283 HA6 UNL 1 10.003 -1.028 3.668 1.00 0.00 H HETATM 284 HA7 UNL 1 10.673 -3.212 4.331 1.00 0.00 H HETATM 285 HA8 UNL 1 11.895 -3.795 2.483 1.00 0.00 H HETATM 286 HA9 UNL 1 14.003 -3.745 0.373 1.00 0.00 H HETATM 287 HB0 UNL 1 15.507 -2.968 1.778 1.00 0.00 H HETATM 288 HB1 UNL 1 14.124 -1.846 1.705 1.00 0.00 H HETATM 289 HB2 UNL 1 15.822 -1.314 3.810 1.00 0.00 H HETATM 290 HB3 UNL 1 15.829 -1.447 6.232 1.00 0.00 H HETATM 291 HB4 UNL 1 14.392 -2.970 7.432 1.00 0.00 H HETATM 292 HB5 UNL 1 12.840 -4.472 6.171 1.00 0.00 H HETATM 293 HB6 UNL 1 12.793 -4.343 3.895 1.00 0.00 H HETATM 294 HB7 UNL 1 16.006 -4.709 1.223 1.00 0.00 H HETATM 295 HB8 UNL 1 16.371 -5.060 3.766 1.00 0.00 H HETATM 296 HB9 UNL 1 15.075 -7.830 3.463 1.00 0.00 H HETATM 297 HC0 UNL 1 14.615 -6.387 4.394 1.00 0.00 H HETATM 298 HC1 UNL 1 15.872 -7.980 5.698 1.00 0.00 H HETATM 299 HC2 UNL 1 17.287 -7.787 4.527 1.00 0.00 H HETATM 300 HC3 UNL 1 16.057 -6.114 6.811 1.00 0.00 H HETATM 301 HC4 UNL 1 16.572 -5.124 5.455 1.00 0.00 H HETATM 302 HC5 UNL 1 18.805 -6.574 5.648 1.00 0.00 H HETATM 303 HC6 UNL 1 19.458 -8.094 7.611 1.00 0.00 H HETATM 304 HC7 UNL 1 17.692 -5.042 9.337 1.00 0.00 H HETATM 305 HC8 UNL 1 18.765 -4.135 8.250 1.00 0.00 H HETATM 306 HC9 UNL 1 18.250 -6.830 0.654 1.00 0.00 H HETATM 307 HD0 UNL 1 5.962 -1.103 -3.205 1.00 0.00 H HETATM 308 HD1 UNL 1 3.663 -3.963 -2.573 1.00 0.00 H HETATM 309 HD2 UNL 1 5.078 -4.980 -3.161 1.00 0.00 H HETATM 310 HD3 UNL 1 4.199 -4.923 -5.407 1.00 0.00 H HETATM 311 HD4 UNL 1 2.419 -5.376 -2.376 1.00 0.00 H HETATM 312 HD5 UNL 1 1.515 -7.507 -2.060 1.00 0.00 H HETATM 313 HD6 UNL 1 2.946 -7.432 -3.075 1.00 0.00 H HETATM 314 HD7 UNL 1 0.103 -7.863 -4.144 1.00 0.00 H HETATM 315 HD8 UNL 1 0.986 -7.433 -6.183 1.00 0.00 H HETATM 316 HD9 UNL 1 2.729 -7.373 -5.528 1.00 0.00 H HETATM 317 HE0 UNL 1 1.946 -8.883 -5.971 1.00 0.00 H HETATM 318 HE1 UNL 1 0.745 -10.141 -4.401 1.00 0.00 H HETATM 319 HE2 UNL 1 2.358 -9.757 -3.560 1.00 0.00 H HETATM 320 HE3 UNL 1 0.821 -9.581 -2.674 1.00 0.00 H HETATM 321 HE4 UNL 1 0.337 -4.622 -1.929 1.00 0.00 H HETATM 322 HE5 UNL 1 -0.820 -6.094 -5.468 1.00 0.00 H HETATM 323 HE6 UNL 1 -0.990 -4.266 -5.178 1.00 0.00 H HETATM 324 HE7 UNL 1 -3.269 -4.630 -5.330 1.00 0.00 H HETATM 325 HE8 UNL 1 -1.811 -7.871 -5.417 1.00 0.00 H HETATM 326 HE9 UNL 1 -4.729 -8.365 -5.863 1.00 0.00 H HETATM 327 HF0 UNL 1 -3.403 -8.031 -6.972 1.00 0.00 H HETATM 328 HF1 UNL 1 -4.189 -10.452 -6.541 1.00 0.00 H HETATM 329 HF2 UNL 1 -1.747 -9.323 -3.602 1.00 0.00 H HETATM 330 HF3 UNL 1 -5.516 -9.038 -3.642 1.00 0.00 H HETATM 331 HF4 UNL 1 -6.216 -10.981 -1.971 1.00 0.00 H HETATM 332 HF5 UNL 1 -4.514 -11.211 -1.713 1.00 0.00 H HETATM 333 HF6 UNL 1 -5.384 -11.095 -4.651 1.00 0.00 H HETATM 334 HF7 UNL 1 -5.998 -12.470 -3.741 1.00 0.00 H HETATM 335 HF8 UNL 1 -2.813 -14.109 -3.114 1.00 0.00 H HETATM 336 HF9 UNL 1 -4.561 -14.311 -3.467 1.00 0.00 H HETATM 337 HG0 UNL 1 -5.263 -7.983 -0.987 1.00 0.00 H HETATM 338 HG1 UNL 1 -8.418 -7.593 -2.754 1.00 0.00 H HETATM 339 HG2 UNL 1 -7.707 -8.910 -4.511 1.00 0.00 H HETATM 340 HG3 UNL 1 -7.822 -10.507 -3.549 1.00 0.00 H HETATM 341 HG4 UNL 1 -9.237 -9.602 -4.013 1.00 0.00 H HETATM 342 HG5 UNL 1 -10.166 -9.692 -2.252 1.00 0.00 H HETATM 343 HG6 UNL 1 -9.255 -6.845 0.552 1.00 0.00 H HETATM 344 HG7 UNL 1 -9.808 -6.364 -1.091 1.00 0.00 H HETATM 345 HG8 UNL 1 -11.580 -7.425 1.157 1.00 0.00 H CONECT 1 2 178 179 180 CONECT 2 3 181 182 CONECT 3 4 5 183 CONECT 4 184 185 186 CONECT 5 6 176 187 CONECT 6 7 188 CONECT 7 8 8 9 CONECT 9 10 17 189 CONECT 10 11 190 191 CONECT 11 12 192 193 CONECT 12 13 194 195 CONECT 13 14 196 CONECT 14 15 15 16 CONECT 15 197 CONECT 16 198 199 CONECT 17 18 200 CONECT 18 19 19 20 CONECT 20 21 25 201 CONECT 21 22 202 203 CONECT 22 23 23 24 CONECT 24 204 CONECT 25 26 205 CONECT 26 27 27 28 CONECT 28 29 33 206 CONECT 29 30 31 207 CONECT 30 208 209 210 CONECT 31 32 211 212 CONECT 32 213 214 215 CONECT 33 34 216 CONECT 34 35 35 36 CONECT 36 37 44 217 CONECT 37 38 218 219 CONECT 38 39 220 221 CONECT 39 40 222 223 CONECT 40 41 224 CONECT 41 42 42 43 CONECT 42 225 CONECT 43 226 227 CONECT 44 45 228 CONECT 45 46 46 47 CONECT 47 48 229 230 CONECT 48 49 231 CONECT 49 50 50 51 CONECT 51 52 232 233 CONECT 52 53 234 CONECT 53 54 54 55 CONECT 55 56 63 235 CONECT 56 57 236 237 CONECT 57 58 58 62 CONECT 58 59 238 CONECT 59 60 60 239 CONECT 60 61 240 CONECT 61 62 62 241 CONECT 62 242 CONECT 63 64 243 CONECT 64 65 65 66 CONECT 66 67 91 244 CONECT 67 68 245 CONECT 68 69 69 70 CONECT 70 71 73 246 CONECT 71 72 247 248 CONECT 72 249 CONECT 73 74 250 CONECT 74 75 75 76 CONECT 76 77 79 251 CONECT 77 78 252 253 CONECT 78 254 CONECT 79 80 255 CONECT 80 81 81 82 CONECT 82 83 84 256 CONECT 83 257 258 CONECT 84 85 259 260 CONECT 85 86 261 262 CONECT 86 87 263 264 CONECT 87 88 265 CONECT 88 89 89 90 CONECT 89 266 CONECT 90 267 268 CONECT 91 92 269 270 CONECT 92 93 CONECT 93 94 CONECT 94 95 271 272 CONECT 95 96 135 273 CONECT 96 97 97 98 CONECT 98 99 274 CONECT 99 100 104 275 CONECT 100 101 276 277 CONECT 101 102 103 103 CONECT 102 278 279 CONECT 104 105 105 106 CONECT 106 107 280 CONECT 107 108 110 281 CONECT 108 109 282 283 CONECT 109 284 CONECT 110 111 111 112 CONECT 112 113 285 CONECT 113 114 121 286 CONECT 114 115 287 288 CONECT 115 116 116 120 CONECT 116 117 289 CONECT 117 118 118 290 CONECT 118 119 291 CONECT 119 120 120 292 CONECT 120 293 CONECT 121 122 122 123 CONECT 123 124 294 CONECT 124 125 132 295 CONECT 125 126 296 297 CONECT 126 127 298 299 CONECT 127 128 300 301 CONECT 128 129 302 CONECT 129 130 130 131 CONECT 130 303 CONECT 131 304 305 CONECT 132 133 133 134 CONECT 134 306 CONECT 135 136 307 CONECT 136 137 137 138 CONECT 138 139 308 309 CONECT 139 140 310 CONECT 140 141 141 142 CONECT 142 143 147 311 CONECT 143 144 312 313 CONECT 144 145 146 314 CONECT 145 315 316 317 CONECT 146 318 319 320 CONECT 147 148 321 CONECT 148 149 149 150 CONECT 150 151 322 323 CONECT 151 152 324 CONECT 152 153 153 154 CONECT 154 155 157 325 CONECT 155 156 326 327 CONECT 156 328 CONECT 157 158 329 CONECT 158 159 159 160 CONECT 160 161 166 330 CONECT 161 162 331 332 CONECT 162 163 333 334 CONECT 163 164 165 165 CONECT 164 335 336 CONECT 166 167 337 CONECT 167 168 168 169 CONECT 169 170 171 338 CONECT 170 339 340 341 CONECT 171 172 342 CONECT 172 173 173 174 CONECT 174 175 343 344 CONECT 175 176 345 CONECT 176 177 177 END SMILES for HMDB0247646 (Atrial natriuretic factor prohormone (8-33))CCC(C)C1NC(=O)C(CCCNC(N)=N)NC(=O)C(CC(O)=O)NC(=O)C(NC(=O)C(CCCNC(N)=N)NC(=O)CNC(=O)CNC(=O)C(CC2=CC=CC=C2)NC(=O)C(CSSCC(NC(=O)CNC(=O)C(CC(C)C)NC(=O)CNC(=O)C(CO)NC(=O)C(CCC(N)=O)NC(=O)C(C)NC(=O)CNC1=O)C(=O)NC(CC(N)=O)C(=O)NC(CO)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCNC(N)=N)C(O)=O)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(N)CCCNC(N)=N)C(C)CC INCHI for HMDB0247646 (Atrial natriuretic factor prohormone (8-33))InChI=1S/C104H168N38O33S2/c1-8-51(5)80-98(172)124-41-75(150)125-53(7)82(156)129-59(28-29-72(106)147)87(161)137-66(44-143)86(160)123-42-77(152)127-61(34-50(3)4)84(158)122-43-78(153)128-70(96(170)134-64(37-73(107)148)91(165)138-68(46-145)93(167)133-63(36-55-22-14-11-15-23-55)90(164)131-60(100(174)175)27-19-33-119-104(114)115)48-176-177-49-71(140-95(169)69(47-146)139-94(168)67(45-144)136-83(157)56(105)24-16-30-116-101(108)109)97(171)132-62(35-54-20-12-10-13-21-54)85(159)121-39-74(149)120-40-76(151)126-57(25-17-31-117-102(110)111)88(162)142-81(52(6)9-2)99(173)135-65(38-79(154)155)92(166)130-58(89(163)141-80)26-18-32-118-103(112)113/h10-15,20-23,50-53,56-71,80-81,143-146H,8-9,16-19,24-49,105H2,1-7H3,(H2,106,147)(H2,107,148)(H,120,149)(H,121,159)(H,122,158)(H,123,160)(H,124,172)(H,125,150)(H,126,151)(H,127,152)(H,128,153)(H,129,156)(H,130,166)(H,131,164)(H,132,171)(H,133,167)(H,134,170)(H,135,173)(H,136,157)(H,137,161)(H,138,165)(H,139,168)(H,140,169)(H,141,163)(H,142,162)(H,154,155)(H,174,175)(H4,108,109,116)(H4,110,111,117)(H4,112,113,118)(H4,114,115,119) 3D Structure for HMDB0247646 (Atrial natriuretic factor prohormone (8-33)) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Formula | C104H168N38O33S2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Average Molecular Weight | 2542.84 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Monoisotopic Molecular Weight | 2541.20774237 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
IUPAC Name | 2-[2-(2-{2-[(52-{2-[2-(2-amino-5-carbamimidamidopentanamido)-3-hydroxypropanamido]-3-hydroxypropanamido}-49-benzyl-28,37-bis(butan-2-yl)-31,40-bis(3-carbamimidamidopropyl)-19-(2-carbamoylethyl)-34-(carboxymethyl)-16-(hydroxymethyl)-22-methyl-10-(2-methylpropyl)-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51-hexadecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50-hexadecaazacyclotripentacontan-4-yl)formamido]-3-carbamoylpropanamido}-3-hydroxypropanamido)-3-phenylpropanamido]-5-carbamimidamidopentanoic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Traditional Name | 2-[2-(2-{2-[(52-{2-[2-(2-amino-5-carbamimidamidopentanamido)-3-hydroxypropanamido]-3-hydroxypropanamido}-49-benzyl-31,40-bis(3-carbamimidamidopropyl)-19-(2-carbamoylethyl)-34-(carboxymethyl)-16-(hydroxymethyl)-22-methyl-10-(2-methylpropyl)-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51-hexadecaoxo-28,37-bis(sec-butyl)-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50-hexadecaazacyclotripentacontan-4-yl)formamido]-3-carbamoylpropanamido}-3-hydroxypropanamido)-3-phenylpropanamido]-5-carbamimidamidopentanoic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
SMILES | CCC(C)C1NC(=O)C(CCCNC(N)=N)NC(=O)C(CC(O)=O)NC(=O)C(NC(=O)C(CCCNC(N)=N)NC(=O)CNC(=O)CNC(=O)C(CC2=CC=CC=C2)NC(=O)C(CSSCC(NC(=O)CNC(=O)C(CC(C)C)NC(=O)CNC(=O)C(CO)NC(=O)C(CCC(N)=O)NC(=O)C(C)NC(=O)CNC1=O)C(=O)NC(CC(N)=O)C(=O)NC(CO)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCNC(N)=N)C(O)=O)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(N)CCCNC(N)=N)C(C)CC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Identifier | InChI=1S/C104H168N38O33S2/c1-8-51(5)80-98(172)124-41-75(150)125-53(7)82(156)129-59(28-29-72(106)147)87(161)137-66(44-143)86(160)123-42-77(152)127-61(34-50(3)4)84(158)122-43-78(153)128-70(96(170)134-64(37-73(107)148)91(165)138-68(46-145)93(167)133-63(36-55-22-14-11-15-23-55)90(164)131-60(100(174)175)27-19-33-119-104(114)115)48-176-177-49-71(140-95(169)69(47-146)139-94(168)67(45-144)136-83(157)56(105)24-16-30-116-101(108)109)97(171)132-62(35-54-20-12-10-13-21-54)85(159)121-39-74(149)120-40-76(151)126-57(25-17-31-117-102(110)111)88(162)142-81(52(6)9-2)99(173)135-65(38-79(154)155)92(166)130-58(89(163)141-80)26-18-32-118-103(112)113/h10-15,20-23,50-53,56-71,80-81,143-146H,8-9,16-19,24-49,105H2,1-7H3,(H2,106,147)(H2,107,148)(H,120,149)(H,121,159)(H,122,158)(H,123,160)(H,124,172)(H,125,150)(H,126,151)(H,127,152)(H,128,153)(H,129,156)(H,130,166)(H,131,164)(H,132,171)(H,133,167)(H,134,170)(H,135,173)(H,136,157)(H,137,161)(H,138,165)(H,139,168)(H,140,169)(H,141,163)(H,142,162)(H,154,155)(H,174,175)(H4,108,109,116)(H4,110,111,117)(H4,112,113,118)(H4,114,115,119) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Key | WUFHQKHAKHCKJG-UHFFFAOYSA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Taxonomy | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Classification | Not classified | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Ontology | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Physiological effect | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Disposition | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Process | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Role | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Physical Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
State | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Experimental Molecular Properties |
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Experimental Chromatographic Properties | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Predicted Molecular Properties |
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Predicted Chromatographic Properties | Predicted Kovats Retention IndicesNot Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MS/MS Spectra
NMR Spectra
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Biological Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Cellular Locations | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Biospecimen Locations |
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Tissue Locations | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Pathways |
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Normal Concentrations | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Abnormal Concentrations | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Associated Disorders and Diseases | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Disease References | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Associated OMIM IDs | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
External Links | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
FooDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemspider ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PubChem Compound | 155886892 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Food Biomarker Ontology | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
VMH ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MarkerDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Synthesis Reference | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Material Safety Data Sheet (MSDS) | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
General References |
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