B3PX8J
-OEChem-04022109572D
78 83 0 1 0 0 0 0 0999 V2000
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7.5088 1.2732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4543 2.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.8343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.6207 1.3267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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9.2867 -2.7856 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.6370 -0.2235 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.1691 -1.2510 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
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11.9011 -0.2510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7975 0.0246 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
11.0351 0.2490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7729 0.2798 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
3.5418 1.0452 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
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9.2751 0.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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13.7011 -1.2718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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7.5050 0.2732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5511 -0.6638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2489 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9987 1.8848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.6323 -1.8287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4265 -3.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1584 -3.2755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.6323 0.3267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.5761 -1.2935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.5761 -0.2085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1738 -1.8710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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10.6366 -2.2259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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9.8162 -2.0884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0475 -0.5427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6890 -0.3345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8528 1.5815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.7518 -2.3296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9689 -3.1792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.8184 -2.9620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6346 -0.8435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7705 1.2240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0700 -0.2728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1600 -1.1449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0322 -1.0548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4721 1.0507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6704 0.6955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0256 -0.1062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.9688 -3.1907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.6251 -2.4487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1103 -2.7622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8932 -3.6118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7427 -3.8289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8547 -3.8160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6989 -3.5793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4622 -2.7351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3347 1.3420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.3168 1.5998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
16.1118 -1.6056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
16.1118 0.1036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1176 3.2956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
15.1540 1.6429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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M END
$$$$