BR1VA6 -OEChem-04022109102D 59 63 0 1 0 0 0 0 0999 V2000 11.8089 6.4364 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 11.0771 2.9932 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.1703 4.7728 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.4364 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.2110 3.4932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9431 2.4932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8390 -1.8253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5771 2.1272 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1701 -2.9335 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5549 -0.6874 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8137 0.2785 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0771 1.2611 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9538 -1.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2126 -0.2303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4791 -1.7035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7950 0.1759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4943 -1.5298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1522 -0.5901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8371 -2.3380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1293 -0.3934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8099 -2.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4537 -1.1862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5771 3.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5716 3.9637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7795 4.9419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9135 5.4419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1846 -2.7637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5448 -3.5322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5593 -3.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9195 -4.1308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2651 -5.0692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9340 -3.9610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6253 -5.8377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2942 -4.7295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6398 -5.6679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3349 -1.5084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0337 1.0996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5945 1.6027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7589 -1.7848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5478 -1.3740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8066 -0.4081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4076 0.3583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2447 -2.2774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9905 -2.0540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9175 0.7837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2363 0.4448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9571 2.1272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0559 -2.9181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9240 0.1916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8435 -1.0762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3844 -3.5153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9865 3.5030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3459 5.1941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7591 -4.1140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3450 -2.7806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8761 -5.1745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7197 -3.3792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8396 -6.4195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6832 -4.6242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 5 2 0 0 0 0 2 6 2 0 0 0 0 2 8 1 0 0 0 0 2 23 1 0 0 0 0 3 23 1 0 0 0 0 3 26 1 0 0 0 0 4 35 1 0 0 0 0 7 27 2 0 0 0 0 12 8 1 6 0 0 0 8 47 1 0 0 0 0 9 21 1 0 0 0 0 9 27 1 0 0 0 0 9 51 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 15 1 0 0 0 0 10 36 1 1 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 11 16 1 0 0 0 0 11 37 1 6 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 17 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 18 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 19 21 2 0 0 0 0 19 48 1 0 0 0 0 20 22 2 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 22 50 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 52 1 0 0 0 0 25 26 2 0 0 0 0 25 53 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 28 54 1 0 0 0 0 29 30 1 0 0 0 0 29 55 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 31 33 1 0 0 0 0 31 56 1 0 0 0 0 32 34 2 0 0 0 0 32 57 1 0 0 0 0 33 35 2 0 0 0 0 33 58 1 0 0 0 0 34 35 1 0 0 0 0 34 59 1 0 0 0 0 M END $$$$