BYU80A
-OEChem-04042104273D
47 50 0 0 0 0 0 0 0999 V2000
0.0812 0.3322 0.0436 N 0 0 0 0 0 0 0 0 0 0 0 0
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-2.1853 -0.2235 0.0418 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0326 -1.1109 0.0208 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.7604 -1.9292 0.0259 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4837 1.0654 0.0427 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.2824 1.7590 0.3339 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7910 2.4549 -0.9282 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1363 3.9359 -0.7445 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8770 -0.6203 0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5305 0.1606 0.0376 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9650 -1.3516 0.0315 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4009 -1.0207 0.0148 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0523 -2.4029 0.0217 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6576 0.3476 0.0288 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4887 3.9230 -0.2564 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0386 5.4790 0.8609 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3478 -1.5369 0.0301 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4053 -1.9889 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5300 -3.7243 0.0097 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9897 0.7943 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8057 -2.8585 0.0179 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7254 -1.5264 -0.0027 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9148 -3.9342 0.0078 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0147 -0.1599 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0271 1.7957 1.1396 H 0 0 0 0 0 0 0 0 0 0 0 0
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-1.4344 4.3794 -1.7034 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2019 4.4380 -0.4582 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5492 0.7178 0.0720 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4970 -1.9685 0.0135 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7267 4.6252 -1.0639 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2414 4.0422 0.5312 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6056 2.9040 -0.6391 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1767 6.2622 0.1066 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7867 5.6222 1.6486 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0599 5.6203 1.3331 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0371 -0.7003 0.0378 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1783 -3.0489 -0.0116 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8459 -4.5668 0.0019 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2248 1.8539 0.0376 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8758 -3.0512 0.0162 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5413 -2.2449 -0.0149 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3009 -4.9503 -0.0015 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0507 0.1690 0.0093 H 0 0 0 0 0 0 0 0 0 0 0 0
1 7 1 0 0 0 0
1 10 1 0 0 0 0
1 11 1 0 0 0 0
2 9 1 0 0 0 0
2 16 1 0 0 0 0
2 17 1 0 0 0 0
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3 12 1 0 0 0 0
3 32 1 0 0 0 0
4 11 1 0 0 0 0
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6 11 2 0 0 0 0
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12 14 1 0 0 0 0
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18 22 1 0 0 0 0
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19 41 1 0 0 0 0
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20 42 1 0 0 0 0
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23 25 2 0 0 0 0
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24 46 1 0 0 0 0
25 47 1 0 0 0 0
M END
$$$$