HMDB0015431 RDKit 3D Pipecuronium 105110 0 0 0 0 0 0 0 0999 V2000 -8.0643 -0.8614 -2.2351 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7152 -1.2527 -1.7387 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5716 -2.3527 -1.1203 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5804 -0.4838 -1.9113 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3077 -0.9152 -1.4214 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2851 -0.8638 -2.5365 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9832 -0.4128 -1.9433 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8776 -0.7928 -2.9313 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3497 -0.0279 -2.4162 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7597 -0.6801 -1.1467 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3556 -0.6966 -0.0995 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0215 -1.5199 1.0931 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3819 -1.2144 1.6479 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3891 -1.1382 0.5578 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5084 -2.4775 -0.1379 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8827 -0.0685 -0.4069 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1048 0.3562 -1.0945 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9116 0.6993 0.1711 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2127 1.1025 -0.1054 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0856 1.3107 0.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9466 2.5304 0.6801 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6101 2.3633 -0.5915 N 0 0 0 0 0 4 0 0 0 0 0 0 8.3202 3.6004 -0.8756 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5726 1.2863 -0.5476 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6814 2.1312 -1.6666 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7432 0.9745 -1.3978 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7422 -0.5774 0.9426 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6879 -1.5030 0.4244 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5698 -2.2201 1.1604 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4953 -3.1589 0.4536 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6016 -2.0910 2.4169 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6863 -1.0863 -0.6224 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6968 -2.5819 -0.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7247 -0.6830 0.4014 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8647 0.0210 -0.3001 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.9734 0.2944 0.5132 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9139 0.0906 1.9007 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8310 1.0627 2.6536 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1080 1.1901 2.0347 N 0 0 0 0 0 4 0 0 0 0 0 0 -7.9129 0.0053 2.1188 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8374 2.2690 2.7099 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0403 1.5808 0.6495 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6081 1.5477 0.1915 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2265 -1.3937 -3.2075 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2296 0.2258 -2.2804 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8083 -1.3118 -1.5459 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4394 -1.9046 -0.9858 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2138 -1.7665 -3.1398 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5993 -0.0519 -3.2578 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8803 0.7047 -1.8663 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6201 -1.8579 -2.8171 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1216 -0.5085 -3.9558 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1923 -0.1123 -3.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0159 1.0011 -2.2492 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9693 -1.7473 -1.3761 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4300 0.3577 0.2554 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1095 -2.5949 0.8992 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7183 -1.2704 1.9042 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4102 -0.3041 2.2809 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6750 -2.0644 2.3102 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8817 -2.4043 -1.1798 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3311 -3.0250 0.4127 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6275 -3.1224 -0.0276 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5314 0.7857 0.2449 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6043 -0.4100 -1.6889 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9103 1.3057 -1.6812 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2551 1.4567 0.7059 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7573 0.4721 1.2089 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4909 1.5861 1.8757 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7253 2.6183 1.4536 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3849 3.4725 0.6784 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6250 4.4429 -0.6216 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5026 3.6390 -1.9603 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2480 3.6819 -0.2811 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3888 1.5003 0.1587 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0904 0.3163 -0.3536 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0297 1.2263 -1.5668 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2781 1.8708 -2.5625 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0750 3.0480 -1.8082 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2346 0.0094 -1.6082 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9257 1.0810 -2.1537 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8355 -0.4578 2.0441 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0885 -3.4417 -0.5571 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5770 -4.1153 1.0209 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5033 -2.7371 0.2717 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6643 -2.9675 -1.0303 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0756 -3.1248 0.0368 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3049 -2.9075 -1.7025 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2846 -0.0835 1.1969 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1602 -1.6123 0.8457 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4689 0.9872 -0.6771 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2132 -0.9248 2.1885 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9181 0.2599 2.3614 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3094 2.0362 2.6257 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9582 0.7893 3.6972 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3722 -0.8002 1.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8336 0.2244 1.5093 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1830 -0.3057 3.1253 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4588 2.8455 1.9585 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4649 1.9212 3.5248 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1276 3.0205 3.1087 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6455 0.9841 -0.0295 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3721 2.6511 0.4806 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0139 2.3747 0.6049 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5789 1.6751 -0.9322 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 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 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 6 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 22 24 1 0 22 25 1 0 25 26 1 0 18 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 29 31 2 0 11 32 1 0 32 33 1 6 32 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 39 41 1 0 39 42 1 0 42 43 1 0 35 5 1 0 43 36 1 0 32 7 1 0 16 10 1 0 26 19 1 0 27 14 1 0 1 44 1 0 1 45 1 0 1 46 1 0 5 47 1 1 6 48 1 0 6 49 1 0 7 50 1 1 8 51 1 0 8 52 1 0 9 53 1 0 9 54 1 0 10 55 1 6 11 56 1 1 12 57 1 0 12 58 1 0 13 59 1 0 13 60 1 0 15 61 1 0 15 62 1 0 15 63 1 0 16 64 1 1 17 65 1 0 17 66 1 0 18 67 1 1 20 68 1 0 20 69 1 0 21 70 1 0 21 71 1 0 23 72 1 0 23 73 1 0 23 74 1 0 24 75 1 0 24 76 1 0 24 77 1 0 25 78 1 0 25 79 1 0 26 80 1 0 26 81 1 0 27 82 1 1 30 83 1 0 30 84 1 0 30 85 1 0 33 86 1 0 33 87 1 0 33 88 1 0 34 89 1 0 34 90 1 0 35 91 1 6 37 92 1 0 37 93 1 0 38 94 1 0 38 95 1 0 40 96 1 0 40 97 1 0 40 98 1 0 41 99 1 0 41100 1 0 41101 1 0 42102 1 0 42103 1 0 43104 1 0 43105 1 0 M CHG 2 22 1 39 1 M END