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
$$$$