RDKit 3D 44 44 0 0 0 0 0 0 0 0999 V2000 -3.8860 0.6025 2.1243 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4979 0.3516 0.6885 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3942 0.1023 -0.2902 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8490 -0.1340 -1.6554 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5682 -0.3627 -2.6216 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4971 -0.0814 -1.7693 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7038 0.1753 -0.7048 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1343 0.3859 0.4895 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0194 0.1797 -1.1183 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6643 0.9196 0.3969 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1668 1.1032 0.2716 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7127 2.1811 0.4906 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8656 -0.0520 -0.0244 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2860 -0.0245 -0.3417 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1711 0.5206 0.7906 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5359 0.0139 0.7733 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3677 0.2153 -0.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0009 0.6958 -1.3714 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7924 -0.2099 -0.0691 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8968 0.0840 -0.1488 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4477 -1.2791 0.2575 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5539 -2.2092 -0.9148 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5127 -2.3167 -1.6603 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4431 -2.9465 -1.0988 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7015 1.6502 2.3839 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2850 -0.0262 2.7911 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9334 0.3781 2.3399 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0899 -0.2333 -2.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2093 1.9016 0.5618 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4668 0.2809 1.2637 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3207 -0.7893 -0.4577 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4120 0.5718 -1.2518 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5638 -1.0585 -0.5752 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2224 1.6139 0.7486 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7555 0.2402 1.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9689 -0.1536 1.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8793 -0.8588 0.8068 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4110 0.6786 0.0809 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1489 -0.7654 -0.9411 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3713 0.4270 -1.0768 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1981 0.8239 0.6027 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4603 -1.1629 0.6629 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8564 -1.7515 1.0504 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6220 -3.4222 -1.9379 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 4 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 3 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 8 2 1 0 1 25 1 0 1 26 1 0 1 27 1 0 6 28 1 0 10 29 1 0 10 30 1 0 13 31 1 0 14 32 1 0 14 33 1 0 15 34 1 0 15 35 1 0 16 36 1 0 19 37 1 0 19 38 1 0 19 39 1 0 20 40 1 0 20 41 1 0 21 42 1 0 21 43 1 0 24 44 1 0 M END