BG1S9W
-OEChem-04042101483D
53 56 0 1 0 0 0 0 0999 V2000
2.6254 0.0801 -2.0143 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7977 2.0789 -1.1230 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2218 -1.8155 1.6155 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0100 -3.7637 -0.2853 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0306 -0.1733 -1.1567 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.4926 -2.0360 -0.7385 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.1792 0.2118 -0.3939 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.3019 0.3430 1.3461 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.2998 2.5335 1.2311 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3561 -0.3402 -0.6678 C 0 0 2 0 0 0 0 0 0 0 0 0
1.0051 0.2200 -0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2613 0.1497 -2.5505 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6306 -0.4064 -2.9186 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4842 0.1222 0.2272 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2591 -0.6458 -0.7535 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1491 1.3167 -0.0496 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8592 -0.6455 1.3299 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1891 1.7436 0.7763 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8992 -0.2187 2.1558 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7166 -2.5715 -0.3344 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4030 -0.2640 0.0047 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4404 -2.9632 -1.1507 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5643 0.9758 1.8788 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7226 -1.5646 0.0645 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4094 0.7413 0.4160 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5316 3.2843 -1.3295 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6715 -2.5347 2.7621 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3985 2.0018 -0.1457 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3768 2.8647 0.3045 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2058 1.2755 1.7025 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3372 -1.4368 -0.6797 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7655 -0.1476 0.8022 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0303 1.3158 -0.1535 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2539 1.2399 -2.6647 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5015 -0.2640 -3.2195 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6439 -1.5018 -2.9140 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9068 -0.0782 -3.9256 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7510 2.6587 0.6246 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2458 -0.7610 3.0286 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2107 -2.7878 -2.2047 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7429 -4.0059 -1.0254 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4541 -2.7819 -0.5502 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3743 1.3082 2.5218 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6910 -1.9372 0.3795 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1188 3.7623 -2.2241 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5883 3.0836 -1.5366 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3937 3.9882 -0.5018 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0547 -3.4363 2.8381 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5141 -1.9646 3.6841 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7084 -2.8689 2.6486 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6867 2.3187 -0.8977 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4489 3.8764 -0.0805 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9348 0.9823 2.4479 H 0 0 0 0 0 0 0 0 0 0 0 0
1 10 1 0 0 0 0
1 13 1 0 0 0 0
2 16 1 0 0 0 0
2 26 1 0 0 0 0
3 17 1 0 0 0 0
3 27 1 0 0 0 0
4 20 2 0 0 0 0
5 11 1 0 0 0 0
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5 15 1 0 0 0 0
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7 15 2 0 0 0 0
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9 29 1 0 0 0 0
9 30 2 0 0 0 0
10 11 1 0 0 0 0
10 14 1 0 0 0 0
10 31 1 0 0 0 0
11 32 1 0 0 0 0
11 33 1 0 0 0 0
12 13 1 0 0 0 0
12 34 1 0 0 0 0
12 35 1 0 0 0 0
13 36 1 0 0 0 0
13 37 1 0 0 0 0
14 16 2 0 0 0 0
14 17 1 0 0 0 0
16 18 1 0 0 0 0
17 19 2 0 0 0 0
18 23 2 0 0 0 0
18 38 1 0 0 0 0
19 23 1 0 0 0 0
19 39 1 0 0 0 0
20 24 1 0 0 0 0
21 24 2 0 0 0 0
21 25 1 0 0 0 0
22 40 1 0 0 0 0
22 41 1 0 0 0 0
22 42 1 0 0 0 0
23 43 1 0 0 0 0
24 44 1 0 0 0 0
25 28 1 0 0 0 0
26 45 1 0 0 0 0
26 46 1 0 0 0 0
26 47 1 0 0 0 0
27 48 1 0 0 0 0
27 49 1 0 0 0 0
27 50 1 0 0 0 0
28 29 2 0 0 0 0
28 51 1 0 0 0 0
29 52 1 0 0 0 0
30 53 1 0 0 0 0
M END
$$$$