B9TN2O -OEChem-04022101412D 62 66 0 1 0 0 0 0 0999 V2000 12.0813 -3.0891 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.3883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.3883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2896 -3.2754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.3883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.3883 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7320 3.3883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.6117 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.1117 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.6117 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8418 -1.2050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.1117 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.8883 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.1962 0.3883 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3301 -0.1117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.1117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.3883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.1117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.3883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.8883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.6117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.8883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0327 -2.6063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0109 -2.8142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5109 -1.9481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.8883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.8883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.3883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.3883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4176 -3.7277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5054 -1.8436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4121 -3.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.3883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.8883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.3883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9121 -4.6983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8903 -4.4904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9948 -3.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 0.6983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.2317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 -1.0748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -1.9217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 -2.1487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 1.5783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 3.1983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 3.1983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0532 -4.2293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5702 -2.4602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1220 -1.7788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4406 -1.2270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.6983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.6983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.0783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 4.6983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.6983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6600 -5.2647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3510 -4.9052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5317 -3.1858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 32 1 0 0 0 0 1 40 1 0 0 0 0 2 20 1 0 0 0 0 2 54 1 0 0 0 0 3 19 2 0 0 0 0 4 23 2 0 0 0 0 5 28 1 0 0 0 0 5 58 1 0 0 0 0 6 13 1 0 0 0 0 7 13 2 0 0 0 0 8 16 1 0 0 0 0 8 18 1 0 0 0 0 8 42 1 0 0 0 0 9 14 1 0 0 0 0 9 18 2 0 0 0 0 10 11 1 0 0 0 0 10 18 1 0 0 0 0 10 23 1 0 0 0 0 11 25 2 0 0 0 0 12 19 1 0 0 0 0 12 29 1 0 0 0 0 12 47 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 14 41 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 21 1 0 0 0 0 17 20 2 0 0 0 0 17 22 1 0 0 0 0 20 26 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 27 2 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 30 2 0 0 0 0 25 31 1 0 0 0 0 26 28 2 0 0 0 0 26 48 1 0 0 0 0 27 28 1 0 0 0 0 27 49 1 0 0 0 0 29 33 2 0 0 0 0 29 34 1 0 0 0 0 30 32 1 0 0 0 0 30 50 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 31 53 1 0 0 0 0 32 38 2 0 0 0 0 33 35 1 0 0 0 0 33 55 1 0 0 0 0 34 36 2 0 0 0 0 34 56 1 0 0 0 0 35 37 2 0 0 0 0 36 37 1 0 0 0 0 36 57 1 0 0 0 0 37 59 1 0 0 0 0 38 39 1 0 0 0 0 38 60 1 0 0 0 0 39 40 2 0 0 0 0 39 61 1 0 0 0 0 40 62 1 0 0 0 0 M CHG 2 6 -1 13 1 M END $$$$