HMDB0246993 RDKit 3D [2,6'-Bibenzothiazole]-7-sulfonic acid, 2'-(4-aminophenyl)-6-methyl- 45 49 0 0 0 0 0 0 0 0999 V2000 -8.2860 0.1578 0.1483 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8956 -0.2871 0.0233 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5419 -1.5730 -0.3629 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2582 -2.0061 -0.4851 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1793 -1.1410 -0.2164 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9111 -1.4315 -0.2956 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0090 -0.5193 -0.0138 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5756 -0.7101 -0.0617 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0409 -1.8874 -0.4134 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3952 -2.0606 -0.4565 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2471 -0.9850 -0.1256 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5510 -1.0164 -0.1262 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2377 0.0568 0.2028 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7086 0.2362 0.2671 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2272 1.4403 0.6345 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5831 1.6137 0.6962 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4285 0.5508 0.3807 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8437 0.6827 0.4303 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9129 -0.6809 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5484 -0.8067 -0.0423 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9972 1.1913 0.5372 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6458 0.1935 0.2265 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2528 0.3414 0.2617 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9605 0.8332 0.3884 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.5228 0.1256 0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8361 0.5618 0.2869 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0782 2.2130 0.7842 S 0 0 0 0 0 6 0 0 0 0 0 0 -4.9125 2.6687 1.6118 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3217 2.4072 1.5786 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1393 3.1644 -0.6028 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9400 -0.7078 -0.0989 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5184 0.9372 -0.6054 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5469 0.4550 1.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4090 -2.2211 -0.5646 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1009 -3.0307 -0.7936 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6194 -2.7133 -0.6675 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8093 -3.0305 -0.7468 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5440 2.2451 0.8731 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0463 2.5310 0.9766 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3417 0.3479 1.2647 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3207 1.1113 -0.3759 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5949 -1.4884 -0.2344 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0985 -1.7522 -0.3312 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1426 1.2751 0.5412 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6707 2.7082 -1.3284 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 2 0 5 6 1 0 6 7 2 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 16 17 2 0 17 18 1 0 17 19 1 0 19 20 2 0 13 21 1 0 21 22 1 0 22 23 2 0 7 24 1 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 27 29 2 0 27 30 1 0 26 2 1 0 25 5 1 0 23 8 1 0 22 11 1 0 20 14 1 0 1 31 1 0 1 32 1 0 1 33 1 0 3 34 1 0 4 35 1 0 9 36 1 0 10 37 1 0 15 38 1 0 16 39 1 0 18 40 1 0 18 41 1 0 19 42 1 0 20 43 1 0 23 44 1 0 30 45 1 0 M END