B4ISK3
-OEChem-04012116182D
78 81 0 0 0 0 0 0 0999 V2000
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11.7260 -4.2839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.0314 3.2489 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.1424 -0.0151 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.1424 -1.6246 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.3198 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
12.0099 3.4551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3635 3.9932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3205 4.4056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6742 4.9437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6527 5.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7207 2.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7422 2.0922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4315 1.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4530 0.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.3198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7260 -0.8198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.3198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7260 -0.8198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.1802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.8198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.3198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2260 -1.6858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.3198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.8198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2260 -1.6858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7260 -2.5519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.8198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.3198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7260 -2.5519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2260 -3.4179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2260 -3.4179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.3198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.1802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.7260 -4.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2260 -5.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0304 2.8355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.6237 3.3678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8166 4.2852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9810 3.5053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.8675 4.1136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.7031 4.8936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6536 5.5634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0604 5.0311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1791 5.4776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4214 5.7252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7413 1.6787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.3345 2.2110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7216 2.7118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1284 2.1795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4521 0.5220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0454 1.0543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4325 1.5551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8392 1.0228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3086 -0.6078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6183 -0.2092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.8002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -2.4398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9272 -0.0098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5360 -1.1489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1060 -2.5519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4675 -2.2948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2646 -2.2948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3426 -0.4275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9441 0.2628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.3460 -2.5519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9160 -3.9548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 -0.7829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -1.0098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 -1.8568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1760 0.7171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 0.4902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5560 -0.3568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.3086 -4.0719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.6183 -3.6733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.6890 -5.4600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.5360 -5.6869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.7629 -4.8400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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36 78 1 0 0 0 0
M END
$$$$