B8Y2SJ -OEChem-04022107492D 58 62 0 0 0 0 0 0 0999 V2000 3.0338 1.5198 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7864 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 16.5146 -1.4881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6176 0.9229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2801 1.7865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7801 -1.4041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0433 -0.1334 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9427 0.9229 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.9977 0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8245 -1.1092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3076 0.5439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7334 -0.5123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5602 -1.7865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3532 0.2455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9036 1.0047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6811 0.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6631 0.6244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2801 1.7865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8941 1.3270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8792 0.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7801 -0.4041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6566 1.0047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4336 -0.6904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4313 -0.3911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6661 1.3270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1266 -0.6904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8971 0.6245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1289 -0.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2070 0.2456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2526 0.5440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4258 -0.7302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5169 -0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6901 -1.4075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7357 -1.1091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4905 0.5413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7128 0.7156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2523 -0.8706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4902 -1.6313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8004 0.9202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0227 1.0946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3056 -0.7510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0678 0.0098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0674 -2.1628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8452 -2.3372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8604 -0.1307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6382 -0.3051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8387 2.0555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1422 2.3910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0251 1.9330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2887 -1.2932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8842 -0.8145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5352 1.9331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2715 -1.2932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6760 -0.8145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8071 1.5279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0175 -0.9152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9252 0.0517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8257 -2.0125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 2 34 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 4 14 1 0 0 0 0 4 17 1 0 0 0 0 5 18 1 0 0 0 0 5 22 1 0 0 0 0 6 21 2 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 8 27 1 0 0 0 0 8 29 1 0 0 0 0 8 55 1 0 0 0 0 9 12 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 13 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 14 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 15 19 1 0 0 0 0 16 21 1 0 0 0 0 16 23 1 0 0 0 0 17 19 2 0 0 0 0 17 24 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 20 26 1 0 0 0 0 22 25 1 0 0 0 0 23 24 2 0 0 0 0 23 50 1 0 0 0 0 24 51 1 0 0 0 0 25 27 2 0 0 0 0 25 52 1 0 0 0 0 26 28 2 0 0 0 0 26 53 1 0 0 0 0 27 28 1 0 0 0 0 28 54 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 30 32 1 0 0 0 0 31 33 2 0 0 0 0 31 56 1 0 0 0 0 32 34 2 0 0 0 0 32 57 1 0 0 0 0 33 34 1 0 0 0 0 33 58 1 0 0 0 0 M END $$$$