BX84RC -OEChem-04022100542D 55 56 0 0 0 0 0 0 0999 V2000 7.8796 3.6635 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 0.4030 4.2070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 2.4750 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.5369 1.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 1.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 3.3410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5369 0.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 0.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9030 3.3410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 3.3410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 4.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 4.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 3.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 5.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 2.7070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 5.7070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 2.7070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 5.7070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 1.7070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 6.7070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 1.7070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 6.7070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 1.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 7.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3249 2.5576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9263 1.8673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8796 1.8673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4810 2.5576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4856 3.5530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7953 3.9516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9263 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3249 0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4810 0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8796 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0044 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8015 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4399 3.0310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2130 3.8779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3660 3.6510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3204 3.1289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0106 2.7304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9856 4.4191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2953 4.8176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0930 4.7439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.0170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 5.3970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 3.0170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.3970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.3970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 7.0170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 1.3970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 7.0170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 0.5870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 7.8270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 13 1 0 0 0 0 2 45 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 10 1 0 0 0 0 4 7 1 0 0 0 0 4 26 1 0 0 0 0 4 27 1 0 0 0 0 5 8 1 0 0 0 0 5 28 1 0 0 0 0 5 29 1 0 0 0 0 6 11 1 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 7 9 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 16 2 0 0 0 0 14 18 1 0 0 0 0 15 17 2 0 0 0 0 15 19 1 0 0 0 0 16 20 1 0 0 0 0 16 46 1 0 0 0 0 17 21 1 0 0 0 0 17 47 1 0 0 0 0 18 22 2 0 0 0 0 18 48 1 0 0 0 0 19 23 2 0 0 0 0 19 49 1 0 0 0 0 20 24 2 0 0 0 0 20 50 1 0 0 0 0 21 25 2 0 0 0 0 21 51 1 0 0 0 0 22 24 1 0 0 0 0 22 52 1 0 0 0 0 23 25 1 0 0 0 0 23 53 1 0 0 0 0 24 54 1 0 0 0 0 25 55 1 0 0 0 0 M CHG 2 1 -1 3 1 M END $$$$