HMDB0246964 RDKit 3D (S)-N1-((1H-Benzo[d]imidazol-2-yl)methyl)-N1-(5,6,7,8-tetrahydroquinolin-8-yl... 53 56 0 0 0 0 0 0 0 0999 V2000 -2.5515 4.8485 0.7312 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8211 3.7504 0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1965 2.9536 1.2334 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3796 1.7703 0.7664 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2406 0.8373 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6272 -0.3712 -0.4805 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3174 -0.2505 -1.4833 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5660 0.4803 -1.1869 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1151 1.4514 -1.9257 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2543 1.8854 -1.3645 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1552 2.8458 -1.7381 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2754 3.0993 -0.9565 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4706 2.3674 0.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5399 1.4086 0.5498 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4346 1.1619 -0.2261 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3774 0.2999 -0.1385 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3087 -1.4873 -0.0953 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3036 -1.6343 1.4372 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5951 -2.2770 1.8242 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9758 -3.4323 0.9501 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9248 -3.7978 -0.0486 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8453 -5.1214 -0.4009 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8976 -5.5178 -1.3113 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0777 -4.5362 -1.8156 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1743 -3.2537 -1.4571 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0606 -2.8280 -0.5942 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2196 4.4889 1.4502 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8704 5.4526 1.2273 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5228 3.1095 -0.4872 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0304 4.1800 -0.5359 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5982 3.6620 1.8423 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0436 2.6275 1.8921 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0572 1.3221 1.6769 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4282 2.2340 0.1187 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6696 1.3615 -0.8875 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1180 0.5583 0.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1915 0.3705 -2.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5392 -1.1772 -2.0763 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0351 3.4438 -2.6504 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9845 3.8621 -1.2592 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3553 2.5805 0.8074 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7132 0.8565 1.4543 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2980 -0.3607 0.6582 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4140 -1.3018 -0.3249 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2260 -0.6666 1.9387 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4196 -2.2729 1.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3837 -1.4811 1.8093 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5102 -2.6135 2.8706 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9244 -3.2632 0.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1422 -4.3427 1.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5252 -5.8658 0.0318 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8067 -6.5706 -1.6157 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6795 -4.8464 -2.5409 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 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 6 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 16 8 1 0 26 17 1 0 15 10 1 0 26 21 1 0 1 27 1 0 1 28 1 0 2 29 1 0 2 30 1 0 3 31 1 0 3 32 1 0 4 33 1 0 4 34 1 0 5 35 1 0 5 36 1 0 7 37 1 0 7 38 1 0 11 39 1 0 12 40 1 0 13 41 1 0 14 42 1 0 16 43 1 0 17 44 1 0 18 45 1 0 18 46 1 0 19 47 1 0 19 48 1 0 20 49 1 0 20 50 1 0 22 51 1 0 23 52 1 0 24 53 1 0 M END