B1LCQ6
-OEChem-04022109542D
95 97 0 1 0 0 0 0 0999 V2000
7.2362 0.0000 0.0000 Br 0 5 0 0 0 0 0 0 0 0 0 0
14.9846 13.0324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5737 9.0604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.0813 8.2077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5891 7.3108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0969 6.4227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1123 4.6730 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
12.7775 11.5514 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
11.9090 12.0471 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
11.0015 11.5357 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
10.9987 10.4941 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
12.7530 12.7328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.4291 13.7018 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
12.7987 10.5100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7550 13.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.7065 11.9214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.9033 9.9778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0660 9.9397 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
12.4315 13.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0719 12.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.9965 12.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6621 12.4763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1237 10.4775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1266 11.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.7191 14.6589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5736 9.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5737 9.0693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0814 8.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0814 8.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5892 7.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0968 6.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6046 5.5434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6199 3.8026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2418 5.1653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9827 4.1807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6046 5.5523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6200 3.7938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2330 6.1653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9915 3.1807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1707 12.4684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0062 9.6441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.3788 13.2271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1673 12.5293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.0197 9.9307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.4073 10.6285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4032 13.5457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1790 12.8058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.8020 11.3088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.3250 11.8781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5084 9.4998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.3067 9.5069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.6113 14.3649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8930 14.0789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4778 12.5638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6796 12.5752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2452 12.6868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4516 13.0595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0789 12.2659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5131 10.5853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9130 9.8944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9192 12.1467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5155 11.4581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.3124 14.4791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.8989 15.2522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.1257 14.8387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0395 8.7634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8884 8.5440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1078 9.3928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9791 7.5785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6659 7.9831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1837 8.7927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4970 8.3881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6914 7.9134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0047 7.5088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9946 5.8200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6813 6.2246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7068 6.1549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0201 5.7503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5177 3.1911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2044 3.5957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6303 5.2676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0350 4.5809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5942 4.0784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1896 4.7652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5023 4.9408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1890 5.3454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6145 4.4137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 3.7883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6255 3.1738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8530 6.1708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2275 6.7853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6130 6.1598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3715 3.1752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9970 2.5608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6115 3.1862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2 21 2 0 0 0 0
3 27 1 0 0 0 0
3 28 1 0 0 0 0
4 27 2 0 0 0 0
5 29 1 0 0 0 0
5 30 1 0 0 0 0
6 31 1 0 0 0 0
6 36 1 0 0 0 0
7 32 1 0 0 0 0
7 33 1 0 0 0 0
7 34 1 0 0 0 0
7 35 1 0 0 0 0
8 9 1 0 0 0 0
8 12 1 0 0 0 0
8 14 1 1 0 0 0
8 16 1 0 0 0 0
9 10 1 0 0 0 0
9 15 1 0 0 0 0
9 40 1 1 0 0 0
10 11 1 0 0 0 0
10 20 1 0 0 0 0
10 22 1 6 0 0 0
11 17 1 0 0 0 0
11 18 1 0 0 0 0
11 41 1 1 0 0 0
12 13 1 0 0 0 0
12 42 1 0 0 0 0
12 43 1 0 0 0 0
13 19 1 0 0 0 0
13 21 1 0 0 0 0
13 25 1 1 0 0 0
14 17 1 0 0 0 0
14 44 1 0 0 0 0
14 45 1 0 0 0 0
15 19 1 0 0 0 0
15 46 1 0 0 0 0
15 47 1 0 0 0 0
16 21 1 0 0 0 0
16 48 1 0 0 0 0
16 49 1 0 0 0 0
17 50 1 0 0 0 0
17 51 1 0 0 0 0
18 23 1 0 0 0 0
18 26 1 1 0 0 0
18 27 1 0 0 0 0
19 52 1 0 0 0 0
19 53 1 0 0 0 0
20 24 1 0 0 0 0
20 54 1 0 0 0 0
20 55 1 0 0 0 0
22 56 1 0 0 0 0
22 57 1 0 0 0 0
22 58 1 0 0 0 0
23 24 1 0 0 0 0
23 59 1 0 0 0 0
23 60 1 0 0 0 0
24 61 1 0 0 0 0
24 62 1 0 0 0 0
25 63 1 0 0 0 0
25 64 1 0 0 0 0
25 65 1 0 0 0 0
26 66 1 0 0 0 0
26 67 1 0 0 0 0
26 68 1 0 0 0 0
28 29 1 0 0 0 0
28 69 1 0 0 0 0
28 70 1 0 0 0 0
29 71 1 0 0 0 0
29 72 1 0 0 0 0
30 31 1 0 0 0 0
30 73 1 0 0 0 0
30 74 1 0 0 0 0
31 75 1 0 0 0 0
31 76 1 0 0 0 0
32 36 1 0 0 0 0
32 77 1 0 0 0 0
32 78 1 0 0 0 0
33 37 1 0 0 0 0
33 79 1 0 0 0 0
33 80 1 0 0 0 0
34 38 1 0 0 0 0
34 81 1 0 0 0 0
34 82 1 0 0 0 0
35 39 1 0 0 0 0
35 83 1 0 0 0 0
35 84 1 0 0 0 0
36 85 1 0 0 0 0
36 86 1 0 0 0 0
37 87 1 0 0 0 0
37 88 1 0 0 0 0
37 89 1 0 0 0 0
38 90 1 0 0 0 0
38 91 1 0 0 0 0
38 92 1 0 0 0 0
39 93 1 0 0 0 0
39 94 1 0 0 0 0
39 95 1 0 0 0 0
M CHG 2 1 -1 7 1
M END
$$$$