B2YMP7 -OEChem-04022108402D 62 65 0 1 0 0 0 0 0999 V2000 7.5856 0.9719 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3111 2.2174 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.7672 -3.3372 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5274 -0.9470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3199 -1.6020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8620 -0.9286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1393 0.6454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3217 -0.1891 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0528 0.4311 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3518 -1.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3364 -1.5348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6498 -0.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0274 -2.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0274 -2.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1375 -0.7675 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5972 -0.0280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7183 -1.5348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0527 0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0445 -1.7632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0547 -2.0712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7123 -3.2706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4130 -0.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6311 1.2699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7328 -3.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3424 -3.2706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8602 -2.3416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7029 -1.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0463 -0.3502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9716 2.9682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3219 -3.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0527 0.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6516 3.9156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9521 2.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5830 -3.9156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7708 -0.5113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1952 -0.1502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4466 -1.5992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7792 -2.3235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6607 -1.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5139 -3.8580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3794 0.4282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1459 -3.5242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5408 -3.8580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4582 -2.5056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1256 -1.7812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5182 -0.7107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3811 3.4337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9088 -3.5242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3940 -1.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2390 4.1140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4532 4.5030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0642 3.7172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8302 2.1637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5600 2.6497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0739 3.3795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2244 -4.4214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0888 -4.2742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9416 -3.4098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0295 -1.0748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3343 -0.2526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5121 0.0521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 23 1 0 0 0 0 2 23 1 0 0 0 0 2 29 1 0 0 0 0 3 26 1 0 0 0 0 3 35 1 0 0 0 0 4 11 1 0 0 0 0 4 17 1 0 0 0 0 5 22 2 0 0 0 0 6 28 1 0 0 0 0 6 36 1 0 0 0 0 7 28 2 0 0 0 0 15 8 1 6 0 0 0 8 22 1 0 0 0 0 8 42 1 0 0 0 0 9 32 3 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 20 2 0 0 0 0 11 13 2 0 0 0 0 12 16 2 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 21 1 0 0 0 0 14 17 1 0 0 0 0 14 25 2 0 0 0 0 15 19 1 0 0 0 0 15 28 1 0 0 0 0 15 37 1 0 0 0 0 16 22 1 0 0 0 0 17 27 2 0 0 0 0 18 23 2 0 0 0 0 18 32 1 0 0 0 0 19 26 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 24 1 0 0 0 0 20 40 1 0 0 0 0 21 24 2 0 0 0 0 21 41 1 0 0 0 0 24 43 1 0 0 0 0 25 30 1 0 0 0 0 25 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 27 31 1 0 0 0 0 27 47 1 0 0 0 0 29 33 1 0 0 0 0 29 34 1 0 0 0 0 29 48 1 0 0 0 0 30 31 2 0 0 0 0 30 49 1 0 0 0 0 31 50 1 0 0 0 0 33 51 1 0 0 0 0 33 52 1 0 0 0 0 33 53 1 0 0 0 0 34 54 1 0 0 0 0 34 55 1 0 0 0 0 34 56 1 0 0 0 0 35 57 1 0 0 0 0 35 58 1 0 0 0 0 35 59 1 0 0 0 0 36 60 1 0 0 0 0 36 61 1 0 0 0 0 36 62 1 0 0 0 0 M END $$$$