BR2NL1
-OEChem-04012113312D
66 69 0 1 0 0 0 0 0999 V2000
2.5405 -0.1406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5244 -2.2322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.1528 2.2816 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.1854 -0.1798 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.0514 -0.6798 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.9174 -0.1798 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.9174 0.8202 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.2754 -0.6867 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.1854 0.8202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0514 1.3202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0675 -1.7213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8637 -0.4846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2674 -1.7283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8637 1.1249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3486 -0.1226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9174 1.8202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1694 -2.2491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4473 0.3202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2831 0.3133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3319 -2.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4007 -0.6505 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.3923 -1.7355 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
9.1743 2.0754 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.5065 2.8197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4635 3.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8207 1.5373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5205 -3.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9215 0.2452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7908 -1.0992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0074 -1.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9733 1.4028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5748 0.7125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4500 1.7951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6529 1.7951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2855 -2.3017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6766 -1.6058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6126 -1.0515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4010 -0.7938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7568 0.3441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9586 0.3594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5374 1.8202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9174 2.4402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2974 1.8202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1718 -2.8691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0673 0.3202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9031 0.3085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2879 0.9333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6631 0.3181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9346 -2.7540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7329 -2.7509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4090 -0.0306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8572 -1.4224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5884 1.6140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9680 3.2338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0924 3.2812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0450 2.4057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.4443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0528 3.0396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6561 3.8215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8742 3.4248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3592 1.1233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2347 1.0759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2821 1.9514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9005 -3.2298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5181 -3.8522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1405 -3.2346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
21 1 1 1 0 0 0
1 57 1 0 0 0 0
22 2 1 1 0 0 0
2 27 1 0 0 0 0
23 3 1 6 0 0 0
3 25 1 0 0 0 0
3 26 1 0 0 0 0
4 5 1 0 0 0 0
4 8 1 0 0 0 0
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4 28 1 6 0 0 0
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5 11 1 0 0 0 0
5 29 1 1 0 0 0
6 7 1 0 0 0 0
6 12 1 0 0 0 0
6 30 1 6 0 0 0
7 10 1 0 0 0 0
7 14 1 0 0 0 0
7 16 1 1 0 0 0
8 13 1 0 0 0 0
8 15 1 0 0 0 0
8 19 1 1 0 0 0
9 10 1 0 0 0 0
9 31 1 0 0 0 0
9 32 1 0 0 0 0
10 33 1 0 0 0 0
10 34 1 0 0 0 0
11 17 1 0 0 0 0
11 35 1 0 0 0 0
11 36 1 0 0 0 0
12 18 1 0 0 0 0
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12 38 1 0 0 0 0
13 17 2 0 0 0 0
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21 22 1 0 0 0 0
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24 54 1 0 0 0 0
24 55 1 0 0 0 0
24 56 1 0 0 0 0
25 58 1 0 0 0 0
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25 60 1 0 0 0 0
26 61 1 0 0 0 0
26 62 1 0 0 0 0
26 63 1 0 0 0 0
27 64 1 0 0 0 0
27 65 1 0 0 0 0
27 66 1 0 0 0 0
M END
$$$$