B3BOL6 -OEChem-04012114343D 41 43 0 1 0 0 0 0 0999 V2000 -5.3043 1.1248 2.1522 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.7403 -0.8427 -2.8414 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7916 -1.6628 0.8445 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6505 -0.4739 0.6565 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0466 0.7949 -0.0356 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4988 1.0533 0.2673 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7172 3.1735 -0.6546 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4052 3.6110 -1.0900 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4231 -1.6590 1.2101 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4532 -2.2325 0.2138 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8313 -2.6204 -1.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1100 -1.2820 2.5284 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2024 0.7090 0.2547 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2983 -0.3740 0.4628 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1337 1.4817 -0.1707 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8789 -3.1674 -2.0895 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4276 2.7585 -0.6386 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6588 2.3079 -0.2072 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3925 -0.9807 0.3938 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8869 -1.1546 -0.8988 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1401 -0.2762 1.3375 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3818 0.2546 0.9886 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1288 -0.6237 -1.2478 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8762 0.0808 -0.3041 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6876 -2.4380 1.4264 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9238 -3.1179 0.6601 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2582 -1.5082 0.0411 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0530 -3.3762 -0.9758 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3548 -1.7545 -1.6035 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9078 -0.5471 2.3829 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3886 -0.8565 3.2345 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5549 -2.1675 2.9949 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6528 -2.4203 -2.2926 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4149 -3.4434 -3.0415 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3611 -4.0588 -1.6757 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6799 2.6731 -0.2343 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5580 3.3036 -1.0792 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6442 4.5341 -1.4254 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3065 -1.7037 -1.6375 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7574 -0.1380 2.3467 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8450 0.4943 -0.5762 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 23 1 0 0 0 0 3 14 1 0 0 0 0 3 19 1 0 0 0 0 4 9 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 14 2 0 0 0 0 5 15 1 0 0 0 0 6 13 2 0 0 0 0 6 18 1 0 0 0 0 7 17 1 0 0 0 0 7 18 2 0 0 0 0 8 17 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 16 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 15 1 0 0 0 0 15 17 2 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 18 36 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 23 1 0 0 0 0 20 39 1 0 0 0 0 21 22 2 0 0 0 0 21 40 1 0 0 0 0 22 24 1 0 0 0 0 23 24 2 0 0 0 0 24 41 1 0 0 0 0 M END $$$$