B3TPX1 -OEChem-04012114062D 51 53 0 1 0 0 0 0 0999 V2000 3.7320 -2.0600 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0600 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.0600 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -5.0600 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.0600 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -6.0600 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -2.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 -2.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 5.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 5.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.9400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0600 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.1962 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6962 1.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7578 1.3784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3038 0.3294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 1.1520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1711 2.2045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2212 2.2045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 -0.0349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 -0.0349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -1.1426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -0.4523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 2.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 3.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 -0.0231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 -1.0969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 6.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 1 9 2 0 0 0 0 1 14 1 0 0 0 0 1 28 1 0 0 0 0 2 29 1 0 0 0 0 3 30 1 0 0 0 0 4 32 1 0 0 0 0 5 33 1 0 0 0 0 6 34 1 0 0 0 0 7 19 2 0 0 0 0 10 24 1 0 0 0 0 10 50 1 0 0 0 0 11 31 1 0 0 0 0 11 51 1 0 0 0 0 12 31 2 0 0 0 0 13 18 1 0 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 14 21 1 0 0 0 0 14 26 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 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 19 21 1 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 24 1 0 0 0 0 22 44 1 0 0 0 0 23 25 2 0 0 0 0 23 45 1 0 0 0 0 24 27 2 0 0 0 0 25 27 1 0 0 0 0 25 46 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 27 31 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 29 33 1 0 0 0 0 30 32 2 0 0 0 0 32 34 1 0 0 0 0 33 34 2 0 0 0 0 M END $$$$