B5V2EO
-OEChem-04022108103D
40 43 0 0 0 0 0 0 0999 V2000
4.3072 -2.8191 0.0483 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4377 1.1210 -0.1030 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.3010 -2.2851 -0.4422 N 0 0 0 0 0 0 0 0 0 0 0 0
1.8731 -1.0154 0.1180 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2067 -0.4646 -0.1346 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.9719 2.1372 -0.4934 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.9149 -3.1900 -1.2456 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.2706 -2.6610 0.5159 N 0 0 0 0 0 0 0 0 0 0 0 0
0.7519 -0.2247 0.1569 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0771 1.1045 0.0219 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5898 -0.8157 0.3239 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2762 2.3028 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8708 -0.1742 -0.0393 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0374 -1.7074 -0.5853 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4717 -0.4902 1.4489 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1508 -1.9817 0.6243 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6892 -1.0460 1.5887 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7763 3.5124 0.4538 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7539 3.2393 -0.5304 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0582 4.6233 0.3997 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3490 4.4926 -0.1004 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0800 -3.3742 -0.6267 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8485 -1.7268 -0.0889 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1328 3.0628 -1.0740 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3457 -1.6199 -0.2355 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0264 1.9338 -0.2289 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4621 -2.0168 -1.4511 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1145 0.2213 2.1873 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3236 -0.7905 2.4301 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7795 3.6179 0.8536 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8128 0.3444 -0.2550 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2959 5.5887 0.7486 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0094 5.3519 -0.1472 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8169 -4.0554 -1.0252 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2756 3.6887 -1.9605 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3105 2.0215 -1.3630 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8774 3.3346 -0.3192 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8011 -2.6081 -0.1274 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5896 -1.2194 -1.2233 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7477 -0.9579 0.5365 H 0 0 0 0 0 0 0 0 0 0 0 0
1 23 2 0 0 0 0
2 10 1 0 0 0 0
2 13 1 0 0 0 0
2 26 1 0 0 0 0
3 7 1 0 0 0 0
3 14 1 0 0 0 0
3 16 1 0 0 0 0
4 9 1 0 0 0 0
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6 12 1 0 0 0 0
6 19 2 0 0 0 0
7 22 2 0 0 0 0
8 16 2 0 0 0 0
8 22 1 0 0 0 0
9 10 2 0 0 0 0
9 11 1 0 0 0 0
10 12 1 0 0 0 0
11 14 2 0 0 0 0
11 15 1 0 0 0 0
12 18 2 0 0 0 0
14 27 1 0 0 0 0
15 17 2 0 0 0 0
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16 17 1 0 0 0 0
17 29 1 0 0 0 0
18 20 1 0 0 0 0
18 30 1 0 0 0 0
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20 21 2 0 0 0 0
20 32 1 0 0 0 0
21 33 1 0 0 0 0
22 34 1 0 0 0 0
23 25 1 0 0 0 0
24 35 1 0 0 0 0
24 36 1 0 0 0 0
24 37 1 0 0 0 0
25 38 1 0 0 0 0
25 39 1 0 0 0 0
25 40 1 0 0 0 0
M END
$$$$