B8RTX3 -OEChem-04022103043D 44 46 0 0 0 0 0 0 0999 V2000 -6.4436 -1.5522 -2.2602 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.2660 -2.7122 1.1846 S 0 0 0 0 0 0 0 0 0 0 0 0 6.9062 0.1722 -0.3119 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3884 2.1148 -0.3130 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0738 -3.1540 -0.1647 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4660 0.5633 1.1735 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6141 -3.8151 1.5364 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2286 -2.1926 2.1412 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1636 -1.2478 -0.5024 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4150 1.1519 -1.2589 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4581 -1.7519 -2.2184 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7583 2.7927 1.9113 O 0 5 0 0 0 0 0 0 0 0 0 0 -6.7918 2.2694 1.2707 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7604 3.1070 -0.8154 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2096 0.0576 0.4413 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7280 -0.2219 -0.6633 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5484 2.1094 1.2162 N 0 3 0 0 0 0 0 0 0 0 0 0 2.3957 0.7642 -0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9612 -0.4919 0.2372 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7359 -1.3629 0.6931 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2394 1.8177 -0.4752 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0029 0.9300 -0.0134 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1174 -1.5454 0.6254 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3539 -0.6577 0.1635 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1798 -0.1276 0.3743 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1770 0.3999 -0.2241 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6209 1.6351 -0.5429 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1197 -0.0371 -0.5967 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6402 0.9299 0.2633 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9781 -0.8089 -1.3799 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0191 1.1248 0.3405 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3571 -0.6139 -1.3027 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8776 0.3530 -0.4425 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5634 -2.5068 0.8698 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7892 -1.6215 0.4199 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2589 2.4650 -0.8377 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4123 3.8300 -1.0906 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7728 3.3162 -0.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5720 2.0120 -0.1984 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6696 -2.4699 -0.5484 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1317 0.0024 1.9125 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9770 1.5542 0.8577 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9560 0.4897 -0.3971 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1935 -2.1902 -2.6805 H 0 0 0 0 0 0 0 0 0 0 0 0 1 32 1 0 0 0 0 2 5 1 0 0 0 0 2 7 2 0 0 0 0 2 8 2 0 0 0 0 2 20 1 0 0 0 0 3 6 1 0 0 0 0 3 9 2 0 0 0 0 3 10 2 0 0 0 0 3 26 1 0 0 0 0 4 22 1 0 0 0 0 4 39 1 0 0 0 0 5 40 1 0 0 0 0 6 41 1 0 0 0 0 11 30 1 0 0 0 0 11 44 1 0 0 0 0 12 17 1 0 0 0 0 13 17 2 0 0 0 0 14 21 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 2 0 0 0 0 15 25 1 0 0 0 0 16 28 1 0 0 0 0 17 31 1 0 0 0 0 18 19 1 0 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 19 23 1 0 0 0 0 19 24 2 0 0 0 0 20 23 2 0 0 0 0 20 25 1 0 0 0 0 21 27 1 0 0 0 0 22 25 2 0 0 0 0 23 34 1 0 0 0 0 24 26 1 0 0 0 0 24 35 1 0 0 0 0 26 27 2 0 0 0 0 27 36 1 0 0 0 0 28 29 1 0 0 0 0 28 30 2 0 0 0 0 29 31 2 0 0 0 0 29 42 1 0 0 0 0 30 32 1 0 0 0 0 31 33 1 0 0 0 0 32 33 2 0 0 0 0 33 43 1 0 0 0 0 M CHG 2 12 -1 17 1 M END $$$$