BM13BL -OEChem-04012113213D 28 30 0 1 0 0 0 0 0999 V2000 -4.2891 2.5344 0.0767 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.5952 -2.4919 -0.3394 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0256 -0.5378 2.3715 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6822 -0.0791 -0.5415 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0411 1.6626 -0.5723 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7705 -1.4250 0.2603 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1025 -0.2357 0.9832 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6056 -0.9742 -0.9362 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2614 -0.0448 0.3782 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7557 -1.1563 -0.3098 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0392 1.1007 0.5077 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0209 -1.1445 -0.8798 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3110 1.1246 -0.0678 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7992 0.0076 -0.7572 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5170 -0.2549 0.5166 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0260 1.0776 -1.1686 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3524 0.8367 0.4787 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3741 -2.0232 0.9513 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6771 0.6922 0.9051 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -0.4443 -1.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0863 -1.8271 -1.4306 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6574 1.9587 1.0539 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4069 -2.0065 -1.4147 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8725 -0.6371 2.7312 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4716 -1.1046 1.1828 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7906 0.0239 -1.2037 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5135 1.4485 -2.0458 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1637 1.0684 1.1531 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 2 6 1 0 0 0 0 2 10 1 0 0 0 0 3 7 1 0 0 0 0 3 24 1 0 0 0 0 4 8 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 16 2 0 0 0 0 5 17 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 18 1 0 0 0 0 7 9 1 0 0 0 0 7 19 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 11 13 2 0 0 0 0 11 22 1 0 0 0 0 12 14 2 0 0 0 0 12 23 1 0 0 0 0 13 14 1 0 0 0 0 14 26 1 0 0 0 0 15 17 2 0 0 0 0 15 25 1 0 0 0 0 16 27 1 0 0 0 0 17 28 1 0 0 0 0 M END $$$$