B2GP8T -OEChem-04022100492D 54 57 0 1 0 0 0 0 0999 V2000 3.7320 1.3724 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.6276 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.6276 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.1276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6065 1.6771 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6065 0.0676 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.3724 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.1276 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1901 0.8724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0561 0.3724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0561 1.3724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1901 0.8724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.3724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.3724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.1276 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.7942 1.8724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.3724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9171 2.6276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.1276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.1276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.3724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.1276 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4641 0.3724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.1276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.3724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.1276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.1276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0296 1.4712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8441 -0.2102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6667 0.2647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6667 1.4800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8441 1.9550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 -0.4376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 2.3473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 2.3473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7162 1.9550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3176 1.2647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5065 2.4350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1097 3.2170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3278 2.8202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1742 -1.1276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.7476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4142 -1.1276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 0.8473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 0.8473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.4376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 0.8473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 0.8473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.4376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -1.4376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.4376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.1824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 27 1 0 0 0 0 3 29 1 0 0 0 0 4 20 2 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 5 18 1 0 0 0 0 6 12 2 0 0 0 0 6 14 1 0 0 0 0 7 15 1 0 0 0 0 7 17 1 0 0 0 0 7 20 1 0 0 0 0 22 8 1 6 0 0 0 8 51 1 0 0 0 0 8 52 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 15 19 1 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 25 28 2 0 0 0 0 26 27 1 0 0 0 0 26 53 1 0 0 0 0 27 29 2 0 0 0 0 28 29 1 0 0 0 0 28 54 1 0 0 0 0 M END $$$$