B78IGC
-OEChem-04022105332D
50 53 0 0 0 0 0 0 0999 V2000
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4.5106 -5.3214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1187 4.7318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6782 -2.0450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.0091 -2.7882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3692 -1.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0383 -0.3508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3181 -3.7392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7293 0.6002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0150 -2.7908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2962 -3.9471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3984 1.3434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6564 -2.2529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7086 -3.7364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9654 -3.2040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5124 -4.3214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0894 2.2944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3334 -2.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7586 3.0376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6028 -4.9426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6994 -3.9682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9875 -3.4048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3191 -2.2196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.2047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6200 -5.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3170 -4.3930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4495 3.9886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9875 -0.6054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8218 -1.3850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4200 -0.8394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5858 -0.0597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3476 1.0888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1819 0.3092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7801 0.8548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9459 1.6344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7077 2.7830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5420 2.0034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5313 -1.4237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1403 2.5490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3060 3.3286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1826 -5.3986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5152 -4.5602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3970 -2.9393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9056 -1.7576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3942 -3.3364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8093 -5.7574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9239 -4.5195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0678 4.4772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9021 3.6976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9271 5.3214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 13 2 0 0 0 0
2 16 2 0 0 0 0
3 27 1 0 0 0 0
3 50 1 0 0 0 0
4 5 1 0 0 0 0
4 6 1 0 0 0 0
4 13 1 0 0 0 0
5 8 2 0 0 0 0
5 10 1 0 0 0 0
6 7 1 0 0 0 0
6 28 1 0 0 0 0
6 29 1 0 0 0 0
7 9 1 0 0 0 0
7 30 1 0 0 0 0
7 31 1 0 0 0 0
8 11 1 0 0 0 0
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9 12 1 0 0 0 0
9 32 1 0 0 0 0
9 33 1 0 0 0 0
10 14 1 0 0 0 0
10 18 2 0 0 0 0
11 15 1 0 0 0 0
11 20 2 0 0 0 0
12 17 1 0 0 0 0
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12 35 1 0 0 0 0
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14 16 1 0 0 0 0
14 21 2 0 0 0 0
15 22 2 0 0 0 0
17 19 1 0 0 0 0
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17 37 1 0 0 0 0
18 23 1 0 0 0 0
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19 27 1 0 0 0 0
19 39 1 0 0 0 0
19 40 1 0 0 0 0
20 25 1 0 0 0 0
20 41 1 0 0 0 0
21 24 1 0 0 0 0
21 42 1 0 0 0 0
22 26 1 0 0 0 0
22 43 1 0 0 0 0
23 24 2 0 0 0 0
23 44 1 0 0 0 0
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25 26 2 0 0 0 0
25 46 1 0 0 0 0
26 47 1 0 0 0 0
27 48 1 0 0 0 0
27 49 1 0 0 0 0
M END
$$$$