HMDB0259230 RDKit 3D trimebutine 57 58 0 0 0 0 0 0 0 0999 V2000 -3.7085 -0.5657 2.5597 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4865 -1.0299 1.7591 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6829 -0.8030 0.2889 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5466 -1.3728 -0.5231 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2856 -0.9433 -0.4245 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7316 -0.9891 0.4563 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5199 -1.6136 1.5182 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0451 -0.3676 0.2608 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9636 -0.4512 1.2766 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2175 0.0743 1.2205 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1776 0.0237 2.2033 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9592 -0.5956 3.4208 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5570 0.7378 0.0292 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8102 1.3061 -0.1230 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9234 0.6198 -0.6412 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6503 0.8309 -0.9983 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0271 1.4907 -2.1531 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1016 1.5895 -3.2098 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3866 0.2816 -0.8969 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7455 0.6780 0.0141 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5889 1.5761 1.0181 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6334 2.9492 0.7961 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8383 3.4412 -0.4622 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9946 2.5308 -1.4779 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9493 1.1622 -1.2505 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8979 -1.4862 -0.0326 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9252 -2.8929 0.1273 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6493 -1.1331 -1.1634 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3371 0.0425 1.9209 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4488 -0.1551 3.5485 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3437 -1.4755 2.8134 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3295 -2.0809 1.9749 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5935 -0.4896 2.1602 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8466 -1.1882 -1.6224 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6595 -2.5175 -0.5083 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6648 -0.9694 2.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8956 -0.6860 3.6848 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4432 -1.5996 3.5026 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4085 0.0027 4.2782 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9545 -0.4502 -0.3628 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8729 0.6356 -1.7628 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8731 1.0847 -0.3376 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6300 0.6243 -3.4618 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2709 2.2928 -2.9564 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5990 2.0460 -4.0965 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6631 0.3420 -1.6869 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3920 1.3113 2.0559 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5071 3.6223 1.6345 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8689 4.5155 -0.6097 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1543 2.9184 -2.4632 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0509 0.4963 -2.0842 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3377 -3.3518 0.9092 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0214 -3.1791 0.1997 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6089 -3.4234 -0.8245 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5876 -1.8005 -1.1002 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2287 -1.4875 -2.1464 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0976 -0.1281 -1.1971 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 2 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 10 13 2 0 13 14 1 0 14 15 1 0 13 16 1 0 16 17 1 0 17 18 1 0 16 19 2 0 3 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 3 26 1 0 26 27 1 0 26 28 1 0 19 8 1 0 25 20 1 0 1 29 1 0 1 30 1 0 1 31 1 0 2 32 1 0 2 33 1 0 4 34 1 0 4 35 1 0 9 36 1 0 12 37 1 0 12 38 1 0 12 39 1 0 15 40 1 0 15 41 1 0 15 42 1 0 18 43 1 0 18 44 1 0 18 45 1 0 19 46 1 0 21 47 1 0 22 48 1 0 23 49 1 0 24 50 1 0 25 51 1 0 27 52 1 0 27 53 1 0 27 54 1 0 28 55 1 0 28 56 1 0 28 57 1 0 M END