BCOX92
-OEChem-04042104563D
66 69 0 1 0 0 0 0 0999 V2000
8.2737 -1.3607 1.3534 Br 0 0 0 0 0 0 0 0 0 0 0 0
-0.6293 -0.5602 -2.0909 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9140 1.9678 0.7480 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3508 2.4719 -1.0088 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3508 -1.3736 0.8503 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.4723 -0.3138 -2.3960 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4944 0.1371 0.4480 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.1551 0.5582 0.3734 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.6896 0.1085 0.7943 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.9255 -0.0738 -0.0328 C 0 0 2 0 0 0 0 0 0 0 0 0
1.5895 0.7514 1.1953 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7474 0.7951 0.4050 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9218 -0.3394 -1.5307 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7371 -1.1285 -0.1807 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4387 0.7752 1.1501 C 0 0 2 0 0 0 0 0 0 0 0 0
2.7673 1.0581 0.3161 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1061 -1.4760 -1.3872 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2794 -0.1479 0.7862 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4071 1.1753 2.6326 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0295 0.4952 0.5654 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5736 1.9225 -0.7618 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6501 -2.0419 0.3696 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1106 0.8135 -0.2908 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3618 -2.6984 -2.0149 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9499 0.2275 -0.6322 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5149 0.0083 3.6084 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6365 2.2353 -1.6039 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2427 -0.3766 1.6456 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8973 1.6852 -1.3711 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8907 -3.2743 -0.2457 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2434 -3.6044 -1.4333 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3727 0.2506 -0.0417 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5035 -0.9268 1.8782 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.2499 -0.4697 -1.0006 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5665 -0.6139 1.0360 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2481 3.3435 -2.1327 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8561 -1.0238 0.5128 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7644 0.1440 2.0824 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2569 1.7075 1.6219 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5746 -1.1866 -1.7780 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3351 0.5268 -2.0623 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3483 1.7100 0.5801 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1966 1.5729 0.3425 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2209 1.8823 2.8375 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4709 1.7086 2.8407 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4630 0.5340 1.3056 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1093 -1.8806 1.3344 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1095 -2.9398 -2.9638 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1382 -0.2127 -1.2246 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0179 1.2810 -0.9330 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6727 -0.6820 3.5033 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5071 0.3831 4.6372 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4438 -0.5520 3.4662 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5631 2.8972 -2.4597 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4897 -0.6332 2.3791 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7146 1.9430 -2.0417 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5742 -3.9829 0.2136 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4383 -4.5592 -1.9123 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2082 0.4917 -0.6972 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6419 -1.5903 2.7282 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0992 -0.0318 -0.4653 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2008 -1.5401 -0.7742 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8712 4.2361 -2.0112 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2091 3.6865 -2.1780 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4478 2.8168 -3.0721 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3065 -0.7680 -2.6042 H 0 0 0 0 0 0 0 0 0 0 0 0
1 35 1 0 0 0 0
2 13 1 0 0 0 0
2 17 1 0 0 0 0
3 12 2 0 0 0 0
4 21 1 0 0 0 0
4 36 1 0 0 0 0
5 18 2 0 0 0 0
6 34 1 0 0 0 0
6 66 1 0 0 0 0
7 11 1 0 0 0 0
7 12 1 0 0 0 0
7 14 1 0 0 0 0
8 10 1 0 0 0 0
8 18 1 0 0 0 0
8 43 1 0 0 0 0
9 15 1 0 0 0 0
9 25 1 0 0 0 0
9 46 1 0 0 0 0
10 12 1 0 0 0 0
10 13 1 0 0 0 0
10 37 1 0 0 0 0
11 16 1 0 0 0 0
11 38 1 0 0 0 0
11 39 1 0 0 0 0
13 40 1 0 0 0 0
13 41 1 0 0 0 0
14 17 1 0 0 0 0
14 22 2 0 0 0 0
15 18 1 0 0 0 0
15 19 1 0 0 0 0
15 42 1 0 0 0 0
16 20 1 0 0 0 0
16 21 2 0 0 0 0
17 24 2 0 0 0 0
19 26 1 0 0 0 0
19 44 1 0 0 0 0
19 45 1 0 0 0 0
20 23 2 0 0 0 0
20 28 1 0 0 0 0
21 27 1 0 0 0 0
22 30 1 0 0 0 0
22 47 1 0 0 0 0
23 29 1 0 0 0 0
23 32 1 0 0 0 0
24 31 1 0 0 0 0
24 48 1 0 0 0 0
25 34 1 0 0 0 0
25 49 1 0 0 0 0
25 50 1 0 0 0 0
26 51 1 0 0 0 0
26 52 1 0 0 0 0
26 53 1 0 0 0 0
27 29 2 0 0 0 0
27 54 1 0 0 0 0
28 33 2 0 0 0 0
28 55 1 0 0 0 0
29 56 1 0 0 0 0
30 31 2 0 0 0 0
30 57 1 0 0 0 0
31 58 1 0 0 0 0
32 35 2 0 0 0 0
32 59 1 0 0 0 0
33 35 1 0 0 0 0
33 60 1 0 0 0 0
34 61 1 0 0 0 0
34 62 1 0 0 0 0
36 63 1 0 0 0 0
36 64 1 0 0 0 0
36 65 1 0 0 0 0
M END
$$$$