B4OQA0 -OEChem-04022100332D 60 64 0 1 0 0 0 0 0999 V2000 13.3920 -1.5799 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 14.6167 -0.8728 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 13.9096 0.3519 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 1.5251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4410 -0.4753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2163 0.7494 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8552 0.9389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7871 0.4213 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0118 -0.8035 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 0.5251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5092 -0.9232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8368 -0.9232 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9819 -1.3583 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5092 0.0423 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8368 0.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9819 -0.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 -1.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8876 -1.8351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.4060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1822 0.4906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8893 1.1977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1141 -0.0270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5624 1.6460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0800 -0.2858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5283 1.3872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7530 0.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4601 0.8696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4261 0.6108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9778 -1.0623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6849 -0.3552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6508 -0.6140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1016 -1.1059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3444 -0.5672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8478 -1.9636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0820 -0.1949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6247 0.6249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2262 -0.0653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6383 0.2030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3885 -0.4925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3030 -1.7235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0430 -1.7235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5782 -2.3724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4127 -2.1647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5188 -1.0151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8068 -1.9951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0558 1.3483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1361 1.8351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1513 1.7596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3814 1.5534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4964 -0.0811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0600 -0.6447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8244 2.2079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0545 2.0016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8180 -0.8477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5879 -0.6414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1459 1.4412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5823 2.0048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2997 1.4684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8645 1.0492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1382 -1.6612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 2 31 1 0 0 0 0 3 31 1 0 0 0 0 4 10 1 0 0 0 0 4 47 1 0 0 0 0 5 20 2 0 0 0 0 6 14 1 0 0 0 0 6 20 1 0 0 0 0 6 46 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 26 2 0 0 0 0 9 29 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 11 14 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 11 32 1 0 0 0 0 12 15 1 0 0 0 0 12 17 1 0 0 0 0 12 19 1 0 0 0 0 12 33 1 0 0 0 0 13 16 1 0 0 0 0 13 18 1 0 0 0 0 13 19 1 0 0 0 0 13 34 1 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 42 1 0 0 0 0 18 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 48 1 0 0 0 0 21 49 1 0 0 0 0 22 24 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 23 25 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 58 1 0 0 0 0 28 30 1 0 0 0 0 28 59 1 0 0 0 0 29 30 2 0 0 0 0 29 60 1 0 0 0 0 30 31 1 0 0 0 0 M END $$$$