HMDB0035863 RDKit 3D Cyclocalamin 70 75 0 0 0 0 0 0 0 0999 V2000 -6.0587 3.6735 -0.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9429 3.3459 0.0413 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2682 2.1794 -0.2152 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6605 1.4446 -1.1498 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0722 1.7167 0.5614 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5758 0.4156 0.0334 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6314 -0.5086 0.1702 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0604 -1.7201 -0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8527 -1.7644 -1.6621 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0132 -2.8087 0.2876 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7776 -1.7000 0.6225 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7060 -2.4770 0.0219 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9073 -3.6582 -0.1961 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6468 -1.9441 -0.3593 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5499 -3.0035 -0.1745 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9626 -0.8332 0.6072 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0019 -1.5053 1.9651 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1179 0.1908 0.5169 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0015 0.8254 -0.8629 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3208 1.4895 -1.0454 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5160 0.5329 -0.8576 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5882 -0.2756 -2.1108 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7094 1.4389 -0.8553 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9994 0.8658 -0.5428 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4468 -0.4176 -0.6648 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7780 -0.4890 -0.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0820 0.7189 0.1420 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1106 1.5478 -0.0141 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4159 2.4214 0.1575 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2424 1.8902 1.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4847 2.6593 2.4117 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8022 0.5141 1.6324 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4050 -0.5891 1.1123 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2987 -0.1767 0.4061 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4933 -0.2445 0.8563 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8742 0.0137 2.3133 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8470 2.9097 -0.5143 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7804 3.5121 -1.8187 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4084 4.7004 -0.5452 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3645 2.5669 0.4986 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3342 1.6733 1.6585 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3581 0.4295 -1.0499 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4240 -0.9270 -2.1602 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7916 -1.6953 -1.8919 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2975 -2.7199 -2.0423 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9436 -3.6758 -0.4001 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8423 -3.0708 1.3451 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0597 -2.4328 0.2118 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0547 -2.2375 1.5798 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5465 -1.6665 -1.3998 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0892 -3.8812 -0.2755 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2959 -2.3697 2.0188 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8280 -0.8599 2.8143 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0171 -1.9877 2.0979 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1590 1.0191 1.2351 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7573 1.6444 -0.9103 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2675 0.1459 -1.6851 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3840 1.8231 -2.1127 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4299 2.3866 -0.4339 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4310 0.0582 -2.7958 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6955 -0.1036 -2.7842 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7864 -1.3473 -1.9723 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6915 2.0189 -1.8128 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9228 -1.2818 -1.0345 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3959 -1.3801 -0.2009 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1385 2.5988 0.2213 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3557 0.3477 2.6323 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5104 0.9508 2.7131 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4864 -0.8165 2.9758 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9895 -0.1008 2.4417 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 8 10 1 0 8 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 1 0 23 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 32 33 1 0 33 34 1 0 18 35 1 0 35 36 1 0 35 6 1 0 35 11 1 0 34 16 1 0 34 21 1 0 28 24 2 0 34 32 1 0 1 37 1 0 1 38 1 0 1 39 1 0 5 40 1 0 5 41 1 0 6 42 1 0 9 43 1 0 9 44 1 0 9 45 1 0 10 46 1 0 10 47 1 0 10 48 1 0 11 49 1 0 14 50 1 0 15 51 1 0 17 52 1 0 17 53 1 0 17 54 1 0 18 55 1 0 19 56 1 0 19 57 1 0 20 58 1 0 20 59 1 0 22 60 1 0 22 61 1 0 22 62 1 0 23 63 1 0 25 64 1 0 26 65 1 0 28 66 1 0 32 67 1 0 36 68 1 0 36 69 1 0 36 70 1 0 M END