HMDB0246375 RDKit 3D 4-(1,3-Benzothiazol-2-yl)-2-methylaniline 29 31 0 0 0 0 0 0 0 0999 V2000 -3.9235 -0.5611 1.7404 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0225 -0.2572 0.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6359 -0.2585 0.8055 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7740 0.0186 -0.2291 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6631 0.0147 -0.0044 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6104 0.2580 -0.8855 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8626 0.2157 -0.5272 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9736 0.4543 -1.3651 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2316 0.3744 -0.8484 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5360 0.0707 0.4669 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4410 -0.1615 1.2805 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1412 -0.0863 0.7771 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5581 -0.2944 1.4188 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2596 0.3010 -1.4818 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6443 0.3017 -1.6855 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5236 0.0238 -0.6496 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9304 0.0209 -0.8417 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3581 -1.5890 1.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7963 0.1514 1.7687 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3550 -0.4126 2.6832 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2570 -0.4774 1.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8590 0.7001 -2.4103 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1290 0.5531 -1.4664 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5407 0.0126 0.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5321 -0.4074 2.3228 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6547 0.5285 -2.3461 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0730 0.5184 -2.6547 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5582 0.7292 -0.4032 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3122 -0.7421 -1.4569 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 4 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 16 2 1 0 13 5 1 0 12 7 1 0 1 18 1 0 1 19 1 0 1 20 1 0 3 21 1 0 8 22 1 0 9 23 1 0 10 24 1 0 11 25 1 0 14 26 1 0 15 27 1 0 17 28 1 0 17 29 1 0 M END