B1NJS2 -OEChem-04012112543D 38 41 0 0 0 0 0 0 0999 V2000 -0.2229 0.0007 -2.2326 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.9799 0.0006 2.4453 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9207 -0.0011 1.1188 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0251 0.0000 -0.9012 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4988 -1.2150 -0.3958 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5002 1.2144 -0.3957 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4597 -1.1680 0.6283 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4611 1.1663 0.6284 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0392 -2.4500 -0.8853 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0419 2.4500 -0.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9353 -2.3743 1.1356 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9380 2.3720 1.1359 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7140 0.0009 -1.2676 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5306 -3.6418 -0.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5346 3.6413 -0.3605 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4806 -3.6035 0.6515 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4846 3.6017 0.6521 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0609 0.0009 0.2517 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3048 -1.2071 -0.8857 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3042 1.2089 -0.8849 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4758 -1.2070 -0.1276 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4751 1.2090 -0.1269 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3126 0.0011 1.0624 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3236 -2.5456 -1.6942 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3263 2.5466 -1.6938 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6803 -2.3708 1.9292 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6831 2.3675 1.9294 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1796 -4.5946 -0.7452 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1845 4.5946 -0.7444 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8720 -4.5277 1.0665 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8769 4.5254 1.0673 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8833 -2.1633 -1.1805 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8820 2.1650 -1.1792 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9238 -2.1546 0.1595 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9226 2.1566 0.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9221 0.8853 0.8453 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9227 -0.8826 0.8448 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8173 0.0008 2.9396 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 13 1 0 0 0 0 2 23 1 0 0 0 0 2 38 1 0 0 0 0 3 7 2 0 0 0 0 3 8 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 6 8 1 0 0 0 0 6 10 2 0 0 0 0 7 11 1 0 0 0 0 8 12 2 0 0 0 0 9 14 2 0 0 0 0 9 24 1 0 0 0 0 10 15 1 0 0 0 0 10 25 1 0 0 0 0 11 16 2 0 0 0 0 11 26 1 0 0 0 0 12 17 1 0 0 0 0 12 27 1 0 0 0 0 13 19 2 0 0 0 0 13 20 1 0 0 0 0 14 16 1 0 0 0 0 14 28 1 0 0 0 0 15 17 2 0 0 0 0 15 29 1 0 0 0 0 16 30 1 0 0 0 0 17 31 1 0 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 18 23 1 0 0 0 0 19 21 1 0 0 0 0 19 32 1 0 0 0 0 20 22 2 0 0 0 0 20 33 1 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 M END $$$$