BI8N5C
-OEChem-04022110163D
61 62 0 1 0 0 0 0 0999 V2000
0.6040 1.6757 -0.5199 S 0 0 0 0 0 0 0 0 0 0 0 0
1.4274 2.3402 -1.5160 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2479 0.2742 -0.6641 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1142 2.0051 -1.4399 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8170 2.5816 -0.2907 N 0 0 1 0 0 0 0 0 0 0 0 0
-3.6322 0.4435 0.2072 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.8733 2.0136 0.5920 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.3675 3.1754 1.4467 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6631 4.0268 0.0314 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0030 4.4088 0.6374 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3608 1.8944 1.0577 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9233 1.5013 -0.3361 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4110 0.8359 1.3666 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6133 0.7995 0.4169 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6697 -0.2368 0.8054 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7978 -0.2905 -0.2275 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7178 -0.2171 -0.4809 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8730 -1.3017 0.1741 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2430 -1.3922 -1.3323 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0156 -1.3304 -0.8408 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5744 -2.4746 -0.5208 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0706 -2.3581 -0.4631 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1977 -2.4310 -0.3005 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3328 -3.5183 0.0091 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5794 -3.4314 0.4496 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7146 -4.5187 0.7592 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3378 -4.4753 0.9794 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4957 1.2053 1.2260 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8226 3.1911 2.3986 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4379 3.1322 1.6701 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4577 4.6030 -0.8748 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1293 4.2055 0.7611 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7454 4.5771 -0.1518 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9437 5.3135 1.2490 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8196 2.8867 1.0861 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5913 1.8400 1.8317 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9397 -0.1547 1.3784 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7793 1.0112 2.3853 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0757 1.7936 0.3839 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2692 0.5748 -0.5989 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2017 -1.2252 0.8879 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0786 0.0116 1.7920 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3956 0.1101 1.1371 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3876 -0.5597 -1.2084 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2496 0.7041 -0.3277 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2305 0.5130 -1.1167 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4251 -0.5532 0.2852 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2693 -1.0454 1.1642 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4250 -2.2997 0.2540 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0978 -1.8185 -1.8723 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5475 -1.0398 -2.1053 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6235 -1.5687 -1.8364 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4824 -0.3407 -0.9042 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5057 -2.1318 0.5156 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6419 -3.3646 -0.4246 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8783 -2.3610 -1.2016 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5966 -1.6286 -0.7153 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4063 -3.5620 -0.1541 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5072 -3.3981 0.6196 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3051 -5.3314 1.1722 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8564 -5.2543 1.5632 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 3 2 0 0 0 0
1 5 1 0 0 0 0
1 11 1 0 0 0 0
4 12 2 0 0 0 0
5 7 1 0 0 0 0
5 9 1 0 0 0 0
6 12 1 0 0 0 0
6 17 1 0 0 0 0
6 43 1 0 0 0 0
7 8 1 0 0 0 0
7 12 1 0 0 0 0
7 28 1 0 0 0 0
8 10 1 0 0 0 0
8 29 1 0 0 0 0
8 30 1 0 0 0 0
9 10 1 0 0 0 0
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9 32 1 0 0 0 0
10 33 1 0 0 0 0
10 34 1 0 0 0 0
11 13 1 0 0 0 0
11 35 1 0 0 0 0
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13 14 1 0 0 0 0
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14 15 1 0 0 0 0
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15 16 1 0 0 0 0
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16 18 1 0 0 0 0
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17 19 1 0 0 0 0
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18 20 1 0 0 0 0
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23 25 1 0 0 0 0
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24 26 2 0 0 0 0
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26 27 1 0 0 0 0
26 60 1 0 0 0 0
27 61 1 0 0 0 0
M END
$$$$