HMDB0242247 RDKit 3D (+)-Butaclamol 58 62 0 0 0 0 0 0 0 0999 V2000 -4.2994 -0.2971 -1.6808 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3345 0.3220 -0.3041 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9285 -0.7453 0.6258 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3067 1.4593 -0.3108 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9693 0.7438 0.1793 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1415 1.2952 1.4519 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4226 1.7935 -0.7156 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0530 2.2110 -0.1655 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2018 1.0809 -0.3530 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1272 1.4442 0.1743 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0649 0.4504 -0.4185 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4788 0.6493 -0.0283 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7151 1.6320 0.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9995 1.9221 1.3567 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0664 1.2092 0.8591 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8559 0.2224 -0.0742 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5738 -0.0396 -0.4998 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5185 -1.1463 -1.5196 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8291 -2.2864 -0.8602 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4475 -2.0628 -0.4405 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8784 -3.3232 -0.2176 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5963 -3.5193 0.1896 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2018 -2.4382 0.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3148 -1.1632 0.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6274 -0.9754 -0.2237 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6167 -0.0421 0.4505 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0436 -0.4256 0.2495 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7854 0.3124 -2.4271 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9599 -1.3483 -1.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3753 -0.3534 -2.0168 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0877 -0.2984 1.6172 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9260 -1.0011 0.2122 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3305 -1.6648 0.6221 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6143 1.7619 0.7298 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0134 2.3225 -0.9002 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2575 1.0663 -0.7748 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4777 2.2209 1.3857 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2243 1.4354 -1.7464 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0126 2.7049 -0.7902 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1223 2.5260 0.8869 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6855 3.0419 -0.8067 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3591 2.4324 -0.2186 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0170 1.3843 1.2726 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9803 0.5908 -1.5424 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8793 2.1823 1.2859 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0896 2.7036 2.0847 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0441 1.4697 1.2393 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7114 -0.3157 -0.4425 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5438 -1.4265 -1.7507 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9725 -0.7439 -2.3866 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4667 -2.6643 -0.0359 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8060 -3.1323 -1.6094 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4797 -4.2335 -0.3725 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1902 -4.5179 0.3521 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2193 -2.6099 0.7234 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4728 0.2500 1.5168 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3474 -0.9998 1.1775 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2025 -1.0663 -0.6372 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 2 5 1 0 5 6 1 0 5 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 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 5 1 0 26 9 1 0 25 11 1 0 17 12 1 0 25 20 1 0 1 28 1 0 1 29 1 0 1 30 1 0 3 31 1 0 3 32 1 0 3 33 1 0 4 34 1 0 4 35 1 0 4 36 1 0 6 37 1 0 7 38 1 0 7 39 1 0 8 40 1 0 8 41 1 0 10 42 1 0 10 43 1 0 11 44 1 0 13 45 1 0 14 46 1 0 15 47 1 0 16 48 1 0 18 49 1 0 18 50 1 0 19 51 1 0 19 52 1 0 21 53 1 0 22 54 1 0 23 55 1 0 26 56 1 0 27 57 1 0 27 58 1 0 M END