BRAE17 -OEChem-04022113193D 48 50 0 1 0 0 0 0 0999 V2000 2.8086 3.1355 0.0442 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5623 -1.9364 -0.9129 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5071 0.7900 -0.2094 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0371 0.4848 1.6016 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3166 0.3529 -0.2110 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1465 -4.1990 -0.6831 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8953 -3.0948 1.1651 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6653 0.3217 0.4764 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9814 -0.2612 1.8978 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3397 0.4233 1.9739 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3024 0.5064 -0.9593 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0040 -0.6868 -0.2771 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8609 1.8394 -0.4334 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3809 1.9233 -0.5743 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0706 0.7328 0.0947 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5250 -0.5961 -0.4235 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2112 0.4635 -0.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7754 0.5065 0.4672 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0106 0.3809 -1.9544 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1681 0.4627 0.5409 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4070 0.3380 -1.8562 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9909 0.3802 -0.5789 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5476 -2.9908 -0.1635 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3063 0.3061 0.6857 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3076 0.4171 1.1016 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5392 0.4591 -2.0327 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7477 -0.6511 0.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3994 2.6804 -0.9684 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5943 1.9923 0.6212 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6580 1.9759 -1.6345 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8791 0.8306 1.1703 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0046 -1.4297 0.1039 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8006 -0.7208 -1.4804 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1758 0.5705 1.3681 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3713 3.8712 -0.4176 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5592 0.3477 -2.9433 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0196 0.2736 -2.7498 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7837 0.5408 2.5788 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1414 -4.2824 -1.6519 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1261 -5.0398 -0.1165 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2546 -2.3205 1.7098 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8319 -3.9862 1.6456 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0596 0.7088 -0.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3121 -0.0518 1.1623 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0282 -0.4007 2.2099 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7084 -0.5998 2.5194 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3026 0.3745 1.6568 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2078 0.4764 2.9792 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 35 1 0 0 0 0 2 12 1 0 0 0 0 2 23 2 0 0 0 0 3 15 1 0 0 0 0 3 24 2 0 0 0 0 4 20 1 0 0 0 0 4 25 1 0 0 0 0 4 38 1 0 0 0 0 5 22 1 0 0 0 0 5 25 2 0 0 0 0 6 23 1 0 0 0 0 6 39 1 0 0 0 0 6 40 1 0 0 0 0 7 23 1 0 0 0 0 7 41 1 0 0 0 0 7 42 1 0 0 0 0 8 24 1 0 0 0 0 8 43 1 0 0 0 0 8 44 1 0 0 0 0 9 24 1 0 0 0 0 9 45 1 0 0 0 0 9 46 1 0 0 0 0 10 25 1 0 0 0 0 10 47 1 0 0 0 0 10 48 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 11 26 1 0 0 0 0 12 16 1 0 0 0 0 12 27 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 34 1 0 0 0 0 19 21 2 0 0 0 0 19 36 1 0 0 0 0 20 22 2 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 M END $$$$