BR13WD -OEChem-04012112462D 40 42 0 0 0 0 0 0 0999 V2000 3.0308 -3.3954 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2212 4.2614 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6180 4.0402 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.8646 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.5100 0.4563 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.5308 -4.2614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5308 -2.5294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8968 1.1046 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0878 1.6924 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8968 -2.8954 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7058 1.6924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8968 0.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6569 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3968 2.6434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3968 2.6434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7628 -0.3954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0308 -0.3954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8968 -1.8954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7628 -1.3954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0308 -1.3954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4000 2.0525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8648 0.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 3.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3511 1.7435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8158 0.0962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5590 0.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1648 -3.8954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7612 3.1450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2998 -0.0854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4938 -0.0854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2998 -1.7054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4938 -1.7054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2711 2.6589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 -0.0097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4337 -3.2054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8118 2.1583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9448 -0.5103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8548 -3.3585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6278 -4.2054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4747 -4.4324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 1 10 1 0 0 0 0 1 27 1 0 0 0 0 2 23 1 0 0 0 0 3 23 1 0 0 0 0 4 23 1 0 0 0 0 5 26 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 9 15 2 0 0 0 0 10 18 1 0 0 0 0 10 35 1 0 0 0 0 11 13 1 0 0 0 0 11 14 2 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 13 21 2 0 0 0 0 13 22 1 0 0 0 0 14 15 1 0 0 0 0 14 28 1 0 0 0 0 15 23 1 0 0 0 0 16 19 1 0 0 0 0 16 29 1 0 0 0 0 17 20 2 0 0 0 0 17 30 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 31 1 0 0 0 0 20 32 1 0 0 0 0 21 24 1 0 0 0 0 21 33 1 0 0 0 0 22 25 2 0 0 0 0 22 34 1 0 0 0 0 24 26 2 0 0 0 0 24 36 1 0 0 0 0 25 26 1 0 0 0 0 25 37 1 0 0 0 0 27 38 1 0 0 0 0 27 39 1 0 0 0 0 27 40 1 0 0 0 0 M END $$$$