B9KF8J
-OEChem-04042102533D
45 47 0 0 0 0 0 0 0999 V2000
3.7147 -3.1938 0.1553 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1557 0.8399 1.8220 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3596 2.0319 0.2443 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0035 2.0525 0.2049 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.1736 -0.7997 -0.3315 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.6840 -2.0512 -0.3149 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6715 1.6623 0.7715 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2160 0.4297 0.1094 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1570 1.5752 0.8322 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2573 1.4126 0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7061 -0.8250 0.4436 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7387 0.1522 -0.0795 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2323 0.5393 -0.8397 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3689 2.9012 -0.9255 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4470 0.1562 0.6854 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3081 2.0388 -0.5603 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2126 -1.9700 -0.1713 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6877 -0.4740 0.5906 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5489 1.4085 -0.6552 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0159 -0.4967 -0.1775 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7389 -0.6057 -1.4545 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2291 -1.8603 -1.1203 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2156 0.1680 -0.2516 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3654 -1.8597 -0.2207 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6764 -3.2322 1.1333 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5821 1.4722 1.8484 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3529 2.5159 0.6711 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9293 -0.8616 1.1971 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6387 1.5103 -1.1098 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0651 2.9380 -0.2890 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3537 2.9062 -1.4012 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6381 2.5592 -1.6639 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1198 3.9171 -0.6054 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6622 -0.3881 1.1965 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1722 3.0164 -1.0158 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8103 -1.4529 1.0477 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3415 1.9193 -1.1960 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5301 -0.5204 -2.1936 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6277 -2.7487 -1.6026 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4850 1.2152 -0.2484 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7206 -2.7268 -0.1907 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1764 -0.6776 -0.3977 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3972 -4.2826 1.2662 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7794 -2.7050 0.7905 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0259 -2.8699 2.1061 H 0 0 0 0 0 0 0 0 0 0 0 0
1 17 1 0 0 0 0
1 25 1 0 0 0 0
2 9 2 0 0 0 0
3 7 1 0 0 0 0
3 9 1 0 0 0 0
3 14 1 0 0 0 0
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7 8 1 0 0 0 0
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8 11 2 0 0 0 0
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10 15 2 0 0 0 0
10 16 1 0 0 0 0
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12 18 2 0 0 0 0
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13 21 2 0 0 0 0
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16 19 2 0 0 0 0
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22 39 1 0 0 0 0
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25 43 1 0 0 0 0
25 44 1 0 0 0 0
25 45 1 0 0 0 0
M END
$$$$