BHC81Z
-OEChem-04022115433D
52 55 0 0 0 0 0 0 0999 V2000
-3.2111 4.5045 1.0371 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4069 -3.1344 0.0236 N 0 0 0 0 0 0 0 0 0 0 0 0
1.4520 -0.3136 -0.0033 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.8485 0.3356 -0.0481 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.7389 2.3107 0.4890 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.3249 -1.9703 -0.0049 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6739 -2.3288 -0.0198 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7263 -3.7505 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4317 -4.2169 0.0272 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0852 -0.6437 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6390 -1.3120 -0.0499 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9295 1.0369 -0.0168 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1563 -0.0100 -0.0625 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4328 1.0644 -0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9495 -4.5796 -0.0052 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1022 -5.5922 0.0563 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1460 0.7989 1.1381 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1142 1.3546 -1.2128 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1109 1.1135 -0.0931 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5406 0.8236 1.1252 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5087 1.3794 -1.2258 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4403 0.4846 2.4166 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3745 1.6431 -2.4781 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2220 1.1138 -0.0568 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3159 1.0074 -0.6793 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5405 3.4409 0.5180 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2141 2.1362 -0.6923 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8735 3.3038 -0.1334 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4165 -3.1816 0.0401 H 0 0 0 0 0 0 0 0 0 0 0 0
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1.5617 1.5819 0.8616 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4999 1.5781 -0.8655 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1166 -1.0794 0.0048 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7292 -4.1340 0.6213 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7596 -5.5871 0.3784 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3401 -4.6718 -1.0238 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1114 -6.0638 1.0208 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1864 -5.6130 -0.0961 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3550 -6.2002 -0.7311 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1122 0.6189 2.0265 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0557 1.6047 -2.1375 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8018 1.3175 2.7274 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8430 -0.4273 2.3257 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1511 0.3137 3.2335 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6835 0.8300 -2.7240 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8272 2.5881 -2.3995 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0585 1.7383 -3.3293 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3078 1.1333 -0.0669 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8202 2.3603 0.9208 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6659 0.1117 -1.1803 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1783 2.0131 -1.1731 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5382 4.1591 -0.1378 H 0 0 0 0 0 0 0 0 0 0 0 0
1 26 2 0 0 0 0
2 6 1 0 0 0 0
2 9 1 0 0 0 0
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3 10 1 0 0 0 0
3 12 1 0 0 0 0
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17 20 1 0 0 0 0
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18 21 2 0 0 0 0
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22 42 1 0 0 0 0
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26 28 1 0 0 0 0
27 28 2 0 0 0 0
27 51 1 0 0 0 0
28 52 1 0 0 0 0
M END
$$$$