BE31IR -OEChem-04022108393D 40 42 0 1 0 0 0 0 0999 V2000 -7.0787 0.2711 0.1347 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.5603 1.9546 -1.8064 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1871 -0.9024 -0.1638 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5231 0.6650 0.1976 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9383 0.5410 0.4579 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3246 1.1859 0.8486 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6279 0.5814 1.3369 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7451 2.1480 -0.2492 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0521 1.5816 -0.7586 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6153 0.1412 0.3182 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7553 -0.0546 0.1481 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6286 0.1204 -0.9291 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0955 -0.9379 1.1764 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0986 -0.1732 0.0759 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3566 0.3697 0.2845 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8325 -0.5824 -0.9776 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2996 -1.6405 1.1279 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9412 -1.4207 -0.5083 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1680 -1.4627 0.0509 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4860 -0.3528 -0.1004 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4976 1.7197 0.9182 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0704 -2.1432 -0.8932 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3428 -1.6092 -0.6894 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1652 1.7161 1.6742 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0586 1.1832 2.1458 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4914 -0.4491 1.6776 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9431 3.1463 0.1551 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0217 2.2180 -1.0666 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0964 1.4541 0.8739 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4340 0.7851 -1.7596 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4615 -1.1025 2.0413 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5097 -0.4446 -1.8156 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5630 -2.3241 1.9298 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9972 -1.9069 -0.7016 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1058 -2.0092 0.0136 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9978 2.4767 0.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5232 2.0675 1.0525 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0469 1.7142 1.9173 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9605 -3.1217 -1.3517 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2126 -2.1853 -0.9951 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 9 2 0 0 0 0 3 10 2 0 0 0 0 4 7 1 0 0 0 0 4 9 1 0 0 0 0 4 11 1 0 0 0 0 5 10 1 0 0 0 0 5 14 1 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 24 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 12 16 1 0 0 0 0 12 30 1 0 0 0 0 13 17 2 0 0 0 0 13 31 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 15 20 1 0 0 0 0 15 21 1 0 0 0 0 16 19 2 0 0 0 0 16 32 1 0 0 0 0 17 19 1 0 0 0 0 17 33 1 0 0 0 0 18 22 2 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 20 23 2 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 M END $$$$