BBP4Y6
-OEChem-04022108122D
66 69 0 1 0 0 0 0 0999 V2000
6.7437 -5.7407 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0
7.1208 4.7658 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
5.8104 -0.6706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5869 3.4054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0000 2.7443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4368 -2.4404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1459 4.9883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0957 4.5432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4088 2.1357 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.4088 -0.1113 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.0000 1.0122 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 2.7443 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.9231 -1.5734 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.4339 1.9132 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.0000 1.0122 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.4339 0.1113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1906 1.5122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1906 0.5122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8104 2.6950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6313 3.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6313 -1.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0846 2.0469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8983 3.7908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0846 -0.0224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5000 1.8783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8983 -1.7664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5000 1.8783 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
9.9906 1.5330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9906 0.4914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0178 -2.7532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 1.0122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1097 -3.1720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3433 5.7407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8345 -3.3303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0184 -4.1678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.7443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7432 -4.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8351 -4.7449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6387 2.4984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6701 0.4873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2951 3.0816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4238 3.1798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3257 2.3085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6900 0.4753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9677 -1.6070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2026 -0.8454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0774 2.6668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3270 4.0316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5619 3.2700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0774 -0.6424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8800 1.8783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5264 1.8451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5264 0.1793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4631 1.3222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6900 0.4753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5369 0.7022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3100 3.2812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9478 5.6027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4813 6.3451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7389 5.8786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3976 -3.0706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4554 -4.4275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.3643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3800 2.7443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.1243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2496 -4.6838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 38 1 0 0 0 0
2 7 2 0 0 0 0
2 8 2 0 0 0 0
2 23 1 0 0 0 0
2 33 1 0 0 0 0
3 16 2 0 0 0 0
4 20 2 0 0 0 0
5 25 2 0 0 0 0
6 13 1 0 0 0 0
6 32 1 0 0 0 0
9 14 1 0 0 0 0
9 17 1 0 0 0 0
9 20 1 0 0 0 0
10 16 1 0 0 0 0
10 18 1 0 0 0 0
10 21 1 0 0 0 0
15 11 1 1 0 0 0
11 25 1 0 0 0 0
11 44 1 0 0 0 0
27 12 1 6 0 0 0
12 36 1 0 0 0 0
12 57 1 0 0 0 0
13 26 2 0 0 0 0
14 15 1 0 0 0 0
14 19 1 6 0 0 0
14 39 1 0 0 0 0
15 16 1 0 0 0 0
15 40 1 0 0 0 0
17 18 1 0 0 0 0
17 22 2 0 0 0 0
18 24 2 0 0 0 0
19 41 1 0 0 0 0
19 42 1 0 0 0 0
19 43 1 0 0 0 0
20 23 1 0 0 0 0
21 26 1 0 0 0 0
21 45 1 0 0 0 0
21 46 1 0 0 0 0
22 28 1 0 0 0 0
22 47 1 0 0 0 0
23 48 1 0 0 0 0
23 49 1 0 0 0 0
24 29 1 0 0 0 0
24 50 1 0 0 0 0
25 27 1 0 0 0 0
26 30 1 0 0 0 0
27 31 1 0 0 0 0
27 51 1 0 0 0 0
28 29 2 0 0 0 0
28 52 1 0 0 0 0
29 53 1 0 0 0 0
30 32 2 0 0 0 0
30 34 1 0 0 0 0
31 54 1 0 0 0 0
31 55 1 0 0 0 0
31 56 1 0 0 0 0
32 35 1 0 0 0 0
33 58 1 0 0 0 0
33 59 1 0 0 0 0
33 60 1 0 0 0 0
34 37 2 0 0 0 0
34 61 1 0 0 0 0
35 38 2 0 0 0 0
35 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
37 38 1 0 0 0 0
37 66 1 0 0 0 0
M END
$$$$