L85DUO -OEChem-05022321352D 58 60 0 0 0 0 0 0 0999 V2000 2.8660 0.2727 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.6960 -2.9216 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.6530 -3.3341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4403 -3.5895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9517 -2.2538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9816 -6.3113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 6.7727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.7727 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 2.0775 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.2727 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2727 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0281 -3.6659 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.2727 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 0.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7210 -0.4825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.7727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9939 1.2727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3638 -2.1773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0531 -1.2268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.2727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6995 -0.6887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3423 -2.3836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0102 -1.6392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9939 1.2727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.7727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.7727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.7727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3388 -4.6165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6709 -5.3608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6315 -3.5403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 6.2727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 6.7727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4465 -1.0990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1136 -0.2273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6168 -1.7671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.5827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9939 0.6527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6139 1.2727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9939 1.8927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 2.0827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 3.8804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 3.1901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4214 -3.5381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 4.6651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 5.3553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7213 -5.1044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8857 -4.3244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2884 -4.8728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1240 -5.6528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 4.9627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5036 -4.1470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2381 -3.6681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7593 -2.9336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5675 -6.7727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 7.3097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 7.0827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 6.2358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 12 1 0 0 0 0 2 18 1 0 0 0 0 3 22 1 0 0 0 0 3 31 1 0 0 0 0 6 30 1 0 0 0 0 6 55 1 0 0 0 0 7 32 2 0 0 0 0 8 11 1 0 0 0 0 8 14 1 0 0 0 0 8 16 1 0 0 0 0 9 16 2 0 0 0 0 9 17 1 0 0 0 0 10 20 1 0 0 0 0 10 26 1 0 0 0 0 10 37 1 0 0 0 0 11 27 2 0 0 0 0 12 29 1 0 0 0 0 12 44 1 0 0 0 0 13 28 1 0 0 0 0 13 32 1 0 0 0 0 13 51 1 0 0 0 0 14 15 1 0 0 0 0 14 17 2 0 0 0 0 15 19 2 0 0 0 0 15 21 1 0 0 0 0 16 20 1 0 0 0 0 17 24 1 0 0 0 0 18 19 1 0 0 0 0 18 22 2 0 0 0 0 19 34 1 0 0 0 0 20 25 2 0 0 0 0 21 23 2 0 0 0 0 21 35 1 0 0 0 0 22 23 1 0 0 0 0 23 36 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 25 27 1 0 0 0 0 25 41 1 0 0 0 0 26 28 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 29 30 1 0 0 0 0 29 47 1 0 0 0 0 29 48 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 31 52 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 32 33 1 0 0 0 0 33 56 1 0 0 0 0 33 57 1 0 0 0 0 33 58 1 0 0 0 0 M END $$$$