RDKit 3D 57 61 0 0 0 0 0 0 0 0999 V2000 3.6358 2.3473 1.9868 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5166 2.4824 0.9131 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0933 1.3516 0.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7652 0.0832 0.8159 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9039 -0.0528 1.9099 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3317 1.0814 2.4897 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -1.0632 0.3003 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0483 -1.5012 -1.2573 S 0 0 0 0 0 0 0 0 0 0 0 0 5.6146 -2.8368 -1.4174 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4268 -0.4195 -2.1501 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2891 -1.6970 -1.2458 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5276 -0.6487 -1.6359 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0154 -0.6899 -1.6283 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5049 0.0820 -0.4097 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0228 0.1973 -0.3713 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5711 1.5526 -0.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8316 1.4410 -1.5333 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9670 0.3933 -1.0106 P 0 0 1 0 0 5 0 0 0 0 0 0 -4.9435 0.1687 -2.1292 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0710 -1.0089 -0.7644 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6557 -0.9162 -1.2131 N 0 0 0 0 0 4 0 0 0 0 0 0 -0.9708 -2.2391 -1.0334 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4324 -2.1480 -1.6553 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3545 -3.1608 -1.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6622 -2.9424 -0.8282 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4389 -3.9354 -0.2881 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5944 1.1015 0.4665 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4477 2.2133 0.3259 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0068 2.8478 1.4344 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7308 2.3726 2.7111 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8991 1.2641 2.8762 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3426 0.6340 1.7576 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5386 -0.4513 1.9312 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2131 3.2341 2.4526 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7772 3.4715 0.5435 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8079 1.4766 -0.4748 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6880 -1.0389 2.3175 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6759 0.9796 3.3505 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9868 0.2957 -1.9408 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6690 -0.1762 -2.5297 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8228 -0.4415 0.5013 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9550 1.0753 -0.3426 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3472 0.0258 0.6579 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6756 2.2312 -0.0244 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8781 2.0107 -1.5798 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5812 -1.7629 -1.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6614 -0.6364 -2.2155 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9525 -2.4534 0.0432 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5655 -2.9943 -1.5546 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3507 -2.4251 -2.7076 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9482 -4.1289 -0.7343 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2686 -4.0173 -0.8131 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6855 2.5936 -0.6678 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6542 3.7111 1.3023 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1771 2.8616 3.5785 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7088 0.9002 3.8806 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5588 -0.6944 2.8775 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 4 7 1 0 7 8 1 0 8 9 2 0 8 10 2 0 8 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 25 26 1 0 18 27 1 1 27 28 2 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 2 0 32 33 1 0 6 1 1 0 25 11 1 0 23 13 1 0 21 15 1 0 32 27 1 0 1 34 1 0 2 35 1 0 3 36 1 0 5 37 1 0 6 38 1 0 12 39 1 0 13 40 1 6 14 41 1 0 14 42 1 0 15 43 1 1 16 44 1 0 16 45 1 0 20 46 1 0 21 47 1 0 22 48 1 0 22 49 1 0 23 50 1 6 24 51 1 0 26 52 1 0 28 53 1 0 29 54 1 0 30 55 1 0 31 56 1 0 33 57 1 0 M CHG 1 21 1 M END