HMDB0015129 RDKit 3D Neomycin 88 91 0 0 0 0 0 0 0 0999 V2000 6.7688 2.2645 3.6521 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9019 0.8719 3.2446 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5269 0.7604 1.7685 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2299 1.1803 1.6035 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6541 0.8242 0.4066 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6604 -0.1008 0.6369 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3990 0.3450 0.2572 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3671 0.2163 1.3314 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2510 1.5039 2.1589 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1786 1.3427 3.0406 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1691 0.0772 0.6641 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3730 -0.6051 -0.5135 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4401 -0.1374 -1.4824 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3472 -0.9774 -2.0804 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1071 -1.1501 -3.5487 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3471 -2.4537 -3.9725 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8063 -0.2054 -4.4602 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1861 1.0918 -4.5611 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2934 -0.0913 -4.1388 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6355 -0.9047 -2.9209 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.0266 -0.7810 -2.5476 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7142 -0.4434 -1.8084 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2429 -0.8115 -0.5655 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6330 0.2992 0.1736 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.0347 0.3919 0.2384 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6181 -0.4007 1.1829 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.1337 -0.2229 1.0203 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5606 -0.6172 -0.2961 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2385 0.0038 2.5917 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.0184 -1.0896 3.4198 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0316 0.9222 2.5620 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3720 2.2343 2.3390 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0162 0.4138 1.5214 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4614 -0.8475 2.0262 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8426 -0.5746 -0.8098 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4536 -1.8151 -0.6245 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6972 0.3303 -0.5750 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1453 0.1708 -1.8962 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3588 -0.9094 -0.0721 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5560 -1.0697 -0.7999 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7491 -0.6805 1.3717 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0411 -1.5276 2.2134 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5233 2.7982 3.1517 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8695 2.6632 3.3197 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9986 0.6321 3.3302 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3148 0.1844 3.8742 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2746 1.3890 1.2263 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2383 1.7696 -0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4019 1.3588 -0.1618 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5708 -0.6332 2.0216 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9696 2.3240 1.4646 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1450 1.6988 2.7525 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0168 2.1421 3.5554 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1257 -1.6730 -0.3309 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3070 -2.0108 -1.6415 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 -0.9422 -3.6885 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5539 -3.0045 -3.8329 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7669 -0.6342 -5.4843 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5102 1.2932 -3.7997 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8636 1.8623 -4.7312 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5483 0.9673 -3.9277 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9342 -0.4513 -4.9681 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4204 -1.9633 -3.1292 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5425 -1.5639 -3.0067 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3833 0.0958 -2.9988 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7498 0.6647 -1.8479 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3575 1.2311 -0.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3820 -1.4536 1.0264 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3794 0.8558 1.1483 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6661 -0.8222 1.7934 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3723 0.1512 -0.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1581 -1.5260 -0.6131 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0670 0.6019 3.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4232 -0.9360 4.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5330 0.8470 3.5443 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3406 2.4234 2.4478 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1810 1.1526 1.5825 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2181 -1.5469 2.0029 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1638 -0.6204 3.0221 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0942 -0.2449 -1.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7729 -2.4041 -0.1941 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4770 1.1315 -0.6395 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9153 -0.0239 -2.5586 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7142 1.0739 -2.1834 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7228 -1.8114 -0.1863 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5364 -1.8990 -1.3271 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8407 -0.8866 1.5413 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2705 -1.0881 2.6542 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 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 8 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 26 29 1 0 29 30 1 0 29 31 1 0 31 32 1 0 31 33 1 0 33 34 1 0 12 35 1 0 35 36 1 0 5 37 1 0 37 38 1 0 37 39 1 0 39 40 1 0 39 41 1 0 41 42 1 0 41 3 1 0 35 7 1 0 22 14 1 0 33 24 1 0 1 43 1 0 1 44 1 0 2 45 1 0 2 46 1 0 3 47 1 6 5 48 1 6 7 49 1 6 8 50 1 1 9 51 1 0 9 52 1 0 10 53 1 0 12 54 1 1 14 55 1 1 15 56 1 1 16 57 1 0 17 58 1 6 18 59 1 0 18 60 1 0 19 61 1 0 19 62 1 0 20 63 1 6 21 64 1 0 21 65 1 0 22 66 1 1 24 67 1 6 26 68 1 6 27 69 1 0 27 70 1 0 28 71 1 0 28 72 1 0 29 73 1 1 30 74 1 0 31 75 1 1 32 76 1 0 33 77 1 6 34 78 1 0 34 79 1 0 35 80 1 6 36 81 1 0 37 82 1 6 38 83 1 0 38 84 1 0 39 85 1 1 40 86 1 0 41 87 1 6 42 88 1 0 M END