B31BTC
-OEChem-04022102183D
49 53 0 1 0 0 0 0 0999 V2000
5.8023 -0.5094 -2.3985 F 0 0 0 0 0 0 0 0 0 0 0 0
6.7978 0.9319 2.7830 F 0 0 0 0 0 0 0 0 0 0 0 0
8.8725 0.5424 1.0450 F 0 0 0 0 0 0 0 0 0 0 0 0
-6.9703 2.5925 0.9677 F 0 0 0 0 0 0 0 0 0 0 0 0
-7.2212 2.1920 -1.1612 F 0 0 0 0 0 0 0 0 0 0 0 0
-8.5220 1.2189 0.2920 F 0 0 0 0 0 0 0 0 0 0 0 0
3.0050 -1.2454 0.0266 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6153 -0.7810 -0.5856 N 0 0 2 0 0 0 0 0 0 0 0 0
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-4.6330 -1.6118 0.3632 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.6005 -2.5192 0.4125 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.0325 0.7405 -0.0326 N 0 0 0 0 0 0 0 0 0 0 0 0
0.7275 -0.4305 -0.1496 C 0 0 2 0 0 0 0 0 0 0 0 0
1.2197 0.8169 -0.8879 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6782 1.1190 -0.5138 C 0 0 1 0 0 0 0 0 0 0 0 0
1.6857 -1.5936 -0.3930 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5511 -0.1403 -0.7105 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.6038 0.3240 -0.3560 C 0 0 0 0 0 0 0 0 0 0 0 0
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-2.5437 -1.7703 0.1463 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9805 0.0425 -0.2407 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1767 -0.3129 0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0390 -0.1561 -1.1275 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2370 0.4096 1.0803 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9865 -1.8534 0.5697 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2943 0.4879 0.1671 C 0 0 0 0 0 0 0 0 0 0 0 0
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6.5518 0.5787 1.5146 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3537 0.0125 -0.6930 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6102 0.3800 0.6280 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2638 1.6389 0.0648 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7327 -0.2062 0.9269 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1400 0.6618 -1.9735 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6045 1.6925 -0.6462 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6846 1.4233 0.5403 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4146 -2.4796 0.1885 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7114 -1.8915 -1.4490 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5505 -0.4211 -1.7726 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7008 0.9452 -1.2507 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3471 0.9408 0.5129 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6979 -2.2215 1.0357 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9036 -2.9074 -0.6178 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0938 2.5071 -1.0262 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5645 3.0540 -1.1677 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4282 0.5580 1.7901 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2793 -2.8714 0.7961 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9314 -0.9956 0.6405 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1777 -0.1421 -1.3832 H 0 0 0 0 0 0 0 0 0 0 0 0
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6 32 1 0 0 0 0
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29 31 2 0 0 0 0
30 31 1 0 0 0 0
30 49 1 0 0 0 0
M END
$$$$