B5AS2X -OEChem-04022103243D 35 38 0 0 0 0 0 0 0999 V2000 -4.0172 -2.6562 0.1969 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4611 0.8930 1.5561 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5087 4.0506 -0.4677 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3265 -3.1132 -1.3415 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8029 -3.3440 0.6091 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2447 -2.7916 0.9647 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5830 3.0222 -0.1473 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4029 1.1039 -0.5259 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9723 0.9710 0.5860 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6494 -0.3470 -0.5549 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0643 0.8525 -0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1193 1.7587 -0.0402 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8782 1.6159 -0.3556 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3427 -0.5269 -0.0945 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6628 -0.9475 0.1035 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4438 1.3528 0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2295 2.9462 -0.3381 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6957 -0.0203 0.2275 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6156 -0.0625 0.7032 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9942 -0.6514 -0.4021 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2671 0.4529 0.4132 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9731 -0.2755 0.9916 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7611 -1.4825 -1.2473 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7093 -1.1022 0.1393 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1132 -1.6989 -0.9662 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5325 -1.2425 -0.1991 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1141 3.8803 -0.0927 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2486 2.0740 0.2527 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7234 -0.3438 0.3729 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1069 4.8154 -0.4011 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4453 0.1871 1.8529 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3055 -1.9537 -2.1137 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7616 -1.2802 0.3445 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7016 -2.3390 -1.6179 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5431 -4.0677 -1.4612 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 15 1 0 0 0 0 2 19 1 0 0 0 0 2 21 1 0 0 0 0 3 17 1 0 0 0 0 3 30 1 0 0 0 0 4 35 1 0 0 0 0 7 12 1 0 0 0 0 7 17 1 0 0 0 0 7 27 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 21 1 0 0 0 0 10 20 1 0 0 0 0 10 21 2 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 12 16 1 0 0 0 0 13 17 2 0 0 0 0 14 15 2 0 0 0 0 14 26 1 0 0 0 0 15 18 1 0 0 0 0 16 18 2 0 0 0 0 16 28 1 0 0 0 0 18 29 1 0 0 0 0 19 20 1 0 0 0 0 19 22 2 0 0 0 0 20 23 2 0 0 0 0 22 24 1 0 0 0 0 22 31 1 0 0 0 0 23 25 1 0 0 0 0 23 32 1 0 0 0 0 24 25 2 0 0 0 0 24 33 1 0 0 0 0 25 34 1 0 0 0 0 M END $$$$