B16ZRS
-OEChem-04022118443D
45 47 0 1 0 0 0 0 0999 V2000
3.2477 -1.7302 -0.6989 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4351 0.8314 1.6755 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2062 0.1009 -0.8901 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2997 0.7038 -1.0806 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5833 2.0158 -1.0498 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8329 2.8157 -0.2752 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5512 -0.7020 0.0694 C 0 0 2 0 0 0 0 0 0 0 0 0
2.8488 -1.1445 1.5800 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1156 -0.6251 -0.3278 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2615 0.6494 -0.2417 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2944 -2.5354 1.9482 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3578 -1.1579 1.8920 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1611 -0.1863 0.5903 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7292 -0.9912 -1.6136 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1946 -0.1085 0.2324 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5876 -0.4809 -1.0752 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6134 -0.9202 -1.9863 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9779 1.9322 0.2476 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1689 0.3309 1.1436 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9434 -0.4031 -1.4330 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5114 0.4019 0.7708 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8980 0.0356 -0.5150 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7024 2.2320 1.7132 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0002 -1.0643 -0.6758 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4024 -0.4119 2.2637 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4958 -2.7648 3.0003 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2112 -2.5836 1.8060 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7511 -3.3231 1.3400 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5205 -1.4096 2.9467 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8213 -0.1806 1.7318 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8985 -1.9016 1.2984 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4502 0.1203 1.5919 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4527 -1.3252 -2.3522 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1991 -1.5316 -0.6958 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8927 -1.2089 -2.9975 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2184 2.2647 0.9393 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8825 0.6200 2.1533 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2609 -0.6854 -2.4354 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3470 2.3940 -1.5991 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4622 2.4152 2.4778 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0867 2.5772 0.7482 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7975 2.7880 1.9783 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0170 -0.8537 -1.0184 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0350 -1.3168 0.3887 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6051 -1.9084 -1.2498 H 0 0 0 0 0 0 0 0 0 0 0 0
1 7 1 0 0 0 0
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2 21 1 0 0 0 0
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3 22 1 0 0 0 0
3 24 1 0 0 0 0
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8 11 1 0 0 0 0
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10 18 1 0 0 0 0
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13 15 1 0 0 0 0
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20 22 1 0 0 0 0
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21 22 2 0 0 0 0
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23 41 1 0 0 0 0
23 42 1 0 0 0 0
24 43 1 0 0 0 0
24 44 1 0 0 0 0
24 45 1 0 0 0 0
M END
$$$$