HMDB0257306 RDKit 3D ROSAMICIN 92 94 0 0 0 0 0 0 0 0999 V2000 -3.9184 -4.2344 1.3433 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9366 -3.1008 1.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3376 -1.7909 0.9588 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2826 -1.3239 1.6783 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0930 -1.6861 2.1249 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8649 -2.0084 3.3391 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8869 -1.7586 1.2741 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1562 -1.2420 -0.1043 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6108 -2.3710 -0.8505 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0075 -0.7219 -0.8369 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3104 -0.3623 -2.2559 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9211 0.2582 -0.1305 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9158 0.4067 -1.0896 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0180 -0.3959 -0.8681 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1356 -1.3447 -1.9242 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9596 -2.3348 -1.4558 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2794 -3.2457 -0.4234 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3001 -1.8882 -0.9986 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4276 -0.4930 -0.5193 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6665 0.0875 -0.9353 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7894 -0.6302 -0.3637 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8268 1.4809 -0.6552 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2660 0.4001 -0.9173 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2354 1.4676 -0.0534 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3603 1.5080 0.3275 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3041 2.4746 0.9938 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9688 1.8993 2.2216 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6759 0.7866 2.5857 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5957 2.2021 -0.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1506 3.4909 -0.1003 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1942 4.6543 -0.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5177 3.8355 -0.5932 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9478 5.0045 -0.1926 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4217 3.1010 -1.4309 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2186 2.0856 -1.1666 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4356 1.3766 0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6613 1.7035 1.3431 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8919 1.5832 0.4626 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3047 0.3027 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4427 -0.7240 1.0618 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7691 -1.4222 0.8742 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7550 -4.4800 0.2518 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3641 -5.1139 1.8306 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9358 -3.9323 1.7158 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8410 -3.3694 0.8106 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2477 -2.9957 2.4531 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1854 -1.8903 -0.1373 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0124 -1.2619 1.7811 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5498 -2.8321 1.1775 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0495 -0.6092 -0.0434 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4998 -2.2134 -1.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6926 -1.6370 -0.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3755 -0.1321 -2.4314 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3881 0.4208 -2.6759 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1220 -1.2327 -2.9651 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4039 -0.3928 0.6626 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8982 -0.9329 0.0861 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1453 -3.0232 -2.3349 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2506 -3.4405 -0.7842 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3459 -2.8588 0.5938 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8105 -4.2305 -0.4363 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1039 -2.0871 -1.7595 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5892 -2.5684 -0.1399 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4237 -0.4664 0.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4395 -1.5650 0.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4588 -0.9146 -1.2124 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3321 0.0338 0.3204 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5054 1.7217 0.3655 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4380 2.1409 -1.4499 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9402 1.6762 -0.6568 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4169 0.7391 -1.9888 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2649 2.3509 -0.4896 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3451 1.2169 1.1949 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1083 2.8772 0.3775 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7474 3.4083 1.3173 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6973 2.4805 2.7642 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0704 2.4631 -1.5693 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4760 1.5552 -0.7942 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2205 3.5326 0.9996 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7330 4.2634 -0.9274 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0852 5.3814 0.3209 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7183 5.1657 -1.3422 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4881 3.4729 -2.5166 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8182 1.6917 -2.0295 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6415 1.3225 1.3247 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2221 1.4060 2.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5891 2.8246 1.3906 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7332 -0.0025 -0.9932 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3800 -0.3391 2.1067 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8669 -1.9103 -0.1156 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0381 -2.0834 1.7309 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6119 -0.6607 0.8746 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 8 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 20 22 1 0 19 23 1 0 23 24 1 0 12 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 25 29 1 0 29 30 1 0 30 31 1 0 30 32 1 0 32 33 2 0 32 34 1 0 34 35 2 0 35 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 40 3 1 0 23 14 1 0 39 36 1 0 1 42 1 0 1 43 1 0 1 44 1 0 2 45 1 0 2 46 1 0 3 47 1 0 7 48 1 0 7 49 1 0 8 50 1 0 9 51 1 0 10 52 1 0 11 53 1 0 11 54 1 0 11 55 1 0 12 56 1 0 14 57 1 0 16 58 1 0 17 59 1 0 17 60 1 0 17 61 1 0 18 62 1 0 18 63 1 0 19 64 1 0 21 65 1 0 21 66 1 0 21 67 1 0 22 68 1 0 22 69 1 0 22 70 1 0 23 71 1 0 24 72 1 0 25 73 1 0 26 74 1 0 26 75 1 0 27 76 1 0 29 77 1 0 29 78 1 0 30 79 1 0 31 80 1 0 31 81 1 0 31 82 1 0 34 83 1 0 35 84 1 0 37 85 1 0 37 86 1 0 37 87 1 0 39 88 1 0 40 89 1 0 41 90 1 0 41 91 1 0 41 92 1 0 M END