HMDB0014605 RDKit 3D Methylscopolamine 47 50 0 0 0 0 0 0 0 0999 V2000 -3.8628 1.2281 -1.0877 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3575 -0.0625 -0.7222 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.3793 -1.0410 -0.9569 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1437 -0.4300 -1.4111 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0688 0.6009 -1.2956 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8842 1.1659 0.0716 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2061 0.5735 0.7670 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3093 1.2995 1.1842 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3081 2.5241 0.9188 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4517 0.6970 1.9090 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4177 1.8274 2.2503 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8324 2.4209 1.0683 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1322 -0.3592 1.1545 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3338 -1.6200 1.6568 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9752 -2.6024 0.9238 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4387 -2.3408 -0.3537 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2431 -1.0829 -0.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5959 -0.1081 -0.1157 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0900 1.0586 0.9583 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9453 -0.1420 0.6595 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1450 -1.4132 0.7203 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5961 -2.4858 -0.0525 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6869 -1.6645 -0.6614 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.4297 1.6234 -0.2178 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1179 1.9222 -1.4842 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6159 1.0739 -1.9049 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0903 -1.7980 -1.7139 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3185 -0.5675 -1.3698 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7211 -1.5138 0.0041 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3368 -0.6171 -2.4734 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1050 0.1092 -1.5871 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2448 1.3741 -2.0781 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6603 2.2527 -0.0468 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0693 0.2239 2.8465 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7960 2.5895 2.7994 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2617 1.4785 2.8742 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9270 3.3885 1.1824 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9767 -1.8400 2.6553 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1267 -3.5910 1.3329 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9374 -3.1419 -0.8951 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6098 -0.8831 -1.8731 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4808 0.8386 -0.5845 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7452 1.9565 0.8902 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7952 0.9855 2.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8189 -0.1248 1.3074 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5835 -1.6962 1.6095 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6871 -2.0864 -0.8828 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 10 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 6 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 20 2 1 0 23 21 1 0 23 4 1 0 18 13 1 0 1 24 1 0 1 25 1 0 1 26 1 0 3 27 1 0 3 28 1 0 3 29 1 0 4 30 1 6 5 31 1 0 5 32 1 0 6 33 1 6 10 34 1 1 11 35 1 0 11 36 1 0 12 37 1 0 14 38 1 0 15 39 1 0 16 40 1 0 17 41 1 0 18 42 1 0 19 43 1 0 19 44 1 0 20 45 1 1 21 46 1 1 23 47 1 1 M CHG 1 2 1 M END