B7VNB0
-OEChem-04012113093D
56 59 0 1 0 0 0 0 0999 V2000
1.5166 1.2076 1.5334 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6893 2.0296 -0.1539 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6795 -0.0509 -0.2961 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9096 -0.7900 0.2303 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0312 -1.1256 2.2560 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8648 -1.0498 -0.1272 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2067 1.7555 -1.9042 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6666 2.3807 -0.1910 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8613 3.7963 -0.0650 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.9412 1.3723 0.0909 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5971 -6.3035 -0.3559 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8178 1.3040 0.7098 C 0 0 2 0 0 0 0 0 0 0 0 0
3.6594 -0.1094 0.1482 C 0 0 2 0 0 0 0 0 0 0 0 0
2.5912 -0.8880 0.9179 C 0 0 2 0 0 0 0 0 0 0 0 0
2.4500 1.9965 0.7886 C 0 0 2 0 0 0 0 0 0 0 0 0
1.2863 -0.0971 0.9907 C 0 0 1 0 0 0 0 0 0 0 0 0
2.5359 3.3550 1.4787 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6945 0.0128 -0.2103 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2561 2.1807 -1.4406 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4802 -1.0791 -0.1798 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3293 1.3522 -0.1678 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7984 1.3765 -0.0983 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4920 0.1684 -0.0819 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2670 2.9587 -2.2272 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9355 -2.4477 -0.2253 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4914 2.5887 -0.0511 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8856 0.1648 -0.0186 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6114 -3.1106 0.9585 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7442 -3.0815 -1.4536 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8853 2.5825 0.0126 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5813 1.3731 0.0289 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0962 -4.4061 0.9145 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2292 -4.3770 -1.4976 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0948 -5.0395 -0.3135 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2923 1.2648 1.6975 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3845 -0.1536 -0.9046 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4437 -1.8654 0.4443 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9870 2.1900 -0.1782 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6301 -0.5953 1.7152 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9140 3.2495 2.5016 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1869 4.0443 0.9329 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5409 3.8068 1.5590 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1434 -0.8686 1.1711 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3595 -1.6771 2.6924 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2179 2.4203 -2.2432 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3931 3.9516 -1.7882 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9146 3.0745 -3.2561 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4300 -0.7762 -0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7603 -2.6340 1.9243 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9923 -2.5781 -2.3849 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4343 3.5206 0.0497 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1513 -4.9114 1.8442 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0825 -4.8651 -2.4573 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5228 4.5080 -0.0256 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2567 2.2920 0.1172 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7643 -6.6068 0.5531 H 0 0 0 0 0 0 0 0 0 0 0 0
1 15 1 0 0 0 0
1 16 1 0 0 0 0
2 12 1 0 0 0 0
2 19 1 0 0 0 0
3 16 1 0 0 0 0
3 18 1 0 0 0 0
4 13 1 0 0 0 0
4 43 1 0 0 0 0
5 14 1 0 0 0 0
5 44 1 0 0 0 0
6 20 1 0 0 0 0
6 23 1 0 0 0 0
7 19 2 0 0 0 0
8 21 2 0 0 0 0
9 26 1 0 0 0 0
9 54 1 0 0 0 0
10 31 1 0 0 0 0
10 55 1 0 0 0 0
11 34 1 0 0 0 0
11 56 1 0 0 0 0
12 13 1 0 0 0 0
12 15 1 0 0 0 0
12 35 1 0 0 0 0
13 14 1 0 0 0 0
13 36 1 0 0 0 0
14 16 1 0 0 0 0
14 37 1 0 0 0 0
15 17 1 0 0 0 0
15 38 1 0 0 0 0
16 39 1 0 0 0 0
17 40 1 0 0 0 0
17 41 1 0 0 0 0
17 42 1 0 0 0 0
18 20 2 0 0 0 0
18 21 1 0 0 0 0
19 24 1 0 0 0 0
20 25 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
22 26 2 0 0 0 0
23 27 2 0 0 0 0
24 45 1 0 0 0 0
24 46 1 0 0 0 0
24 47 1 0 0 0 0
25 28 2 0 0 0 0
25 29 1 0 0 0 0
26 30 1 0 0 0 0
27 31 1 0 0 0 0
27 48 1 0 0 0 0
28 32 1 0 0 0 0
28 49 1 0 0 0 0
29 33 2 0 0 0 0
29 50 1 0 0 0 0
30 31 2 0 0 0 0
30 51 1 0 0 0 0
32 34 2 0 0 0 0
32 52 1 0 0 0 0
33 34 1 0 0 0 0
33 53 1 0 0 0 0
M END
$$$$