D04BBK -OEChem-10101305032D 42 44 0 1 0 0 0 0 0999 V2000 5.5443 -0.1810 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 1.4897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 -0.2423 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.3763 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8550 2.3789 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6279 -0.2423 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 1.1237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 1.4284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 0.6237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.6237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.1237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1279 -1.1084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 0.6237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1279 0.6237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.1237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.6237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6279 -1.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1279 -1.1084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1279 -2.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6279 -1.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1279 -2.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3179 -0.7793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3179 -0.7793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6648 0.3137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4379 1.1606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5910 0.9337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 1.4337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 2.6237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.2437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 2.6237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0079 -1.9744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4379 -0.5714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4616 2.5068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4409 2.8404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.1606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.6863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.9132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8179 -3.3774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2479 -1.9744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4379 -3.3774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 2 13 2 0 0 0 0 6 3 1 1 0 0 0 3 13 1 0 0 0 0 3 25 1 0 0 0 0 4 11 1 0 0 0 0 4 16 2 0 0 0 0 5 8 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 12 1 0 0 0 0 6 14 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 11 2 0 0 0 0 8 9 2 0 0 0 0 9 13 1 0 0 0 0 10 15 2 0 0 0 0 10 17 1 0 0 0 0 12 18 2 0 0 0 0 12 19 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 15 16 1 0 0 0 0 15 29 1 0 0 0 0 16 20 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 18 21 1 0 0 0 0 18 33 1 0 0 0 0 19 22 2 0 0 0 0 19 34 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 23 2 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 M END $$$$