D0IU2K
-OEChem-10101305022D
59 60 0 1 0 0 0 0 0999 V2000
2.8660 -0.3041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0084 1.0506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5832 4.2940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -6.3041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1795 4.5519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.3041 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1674 2.3377 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.3041 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2774 3.9339 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.6443 6.1992 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.7026 0.6904 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.6808 0.8984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 0.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5116 -0.7108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.8041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9595 1.3596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.8041 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.8660 -2.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1184 2.6467 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8660 -3.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8616 1.9776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3263 3.6249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.8041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.8041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4853 4.9120 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.0000 -4.8041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -4.8041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -5.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7422 5.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4364 5.2211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1238 0.4683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2472 1.1505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4892 1.4880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5956 -0.4284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6823 0.3968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2016 -1.2478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0132 -1.0752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.4241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7066 2.7526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6540 -1.7215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2554 -2.4117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6577 3.0616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.9241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -1.9941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4467 1.5169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3223 1.5628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2764 2.4384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -3.4941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -3.4941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7382 3.5190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9461 4.4972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -5.1141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -5.1141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1570 6.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2814 5.9960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3273 5.1204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 -6.6141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2339 6.3908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1835 6.6141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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2 16 2 0 0 0 0
3 22 2 0 0 0 0
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4 57 1 0 0 0 0
5 30 2 0 0 0 0
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6 14 1 0 0 0 0
6 15 1 0 0 0 0
7 16 1 0 0 0 0
19 7 1 6 0 0 0
7 39 1 0 0 0 0
17 8 1 1 0 0 0
8 43 1 0 0 0 0
8 44 1 0 0 0 0
9 22 1 0 0 0 0
25 9 1 1 0 0 0
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10 59 1 0 0 0 0
11 12 1 0 0 0 0
11 16 1 6 0 0 0
11 31 1 0 0 0 0
12 13 1 0 0 0 0
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13 35 1 0 0 0 0
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17 18 1 0 0 0 0
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18 20 1 0 0 0 0
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20 23 2 0 0 0 0
20 24 1 0 0 0 0
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23 26 1 0 0 0 0
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24 27 2 0 0 0 0
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25 30 1 0 0 0 0
25 51 1 0 0 0 0
26 28 2 0 0 0 0
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27 28 1 0 0 0 0
27 53 1 0 0 0 0
29 54 1 0 0 0 0
29 55 1 0 0 0 0
29 56 1 0 0 0 0
M END
$$$$