B47SGK
-OEChem-04012119172D
42 44 0 0 0 0 0 0 0999 V2000
7.8564 2.8258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3564 -2.7130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7431 0.6387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.8107 1.9259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.6517 3.2130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8564 2.8258 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.3564 1.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5474 1.8748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1654 1.8748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3564 0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5963 1.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1165 1.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2224 -0.2130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4904 -0.2130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3884 0.5876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8532 2.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2224 -1.2130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4904 -1.2130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3564 -1.7130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4374 0.2786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9021 1.9259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6942 0.9477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8596 2.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2224 -3.2130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.3078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8254 1.0183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6050 1.1840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7594 0.0970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9534 0.0970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8492 0.1727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9821 2.8413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7594 -1.5230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9534 -1.5230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3084 -0.3279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4414 2.3407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2714 2.3407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9124 -3.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7594 -3.5230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5324 -2.6761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4149 1.7686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5392 1.7227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5851 0.8471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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1 9 1 0 0 0 0
2 19 1 0 0 0 0
2 24 1 0 0 0 0
3 22 1 0 0 0 0
3 25 1 0 0 0 0
4 23 1 0 0 0 0
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5 23 2 0 0 0 0
6 8 2 0 0 0 0
7 8 1 0 0 0 0
7 9 2 0 0 0 0
7 10 1 0 0 0 0
8 11 1 0 0 0 0
9 12 1 0 0 0 0
10 13 2 0 0 0 0
10 14 1 0 0 0 0
11 15 2 0 0 0 0
11 16 1 0 0 0 0
12 23 1 0 0 0 0
12 26 1 0 0 0 0
12 27 1 0 0 0 0
13 17 1 0 0 0 0
13 28 1 0 0 0 0
14 18 2 0 0 0 0
14 29 1 0 0 0 0
15 20 1 0 0 0 0
15 30 1 0 0 0 0
16 21 2 0 0 0 0
16 31 1 0 0 0 0
17 19 2 0 0 0 0
17 32 1 0 0 0 0
18 19 1 0 0 0 0
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20 22 2 0 0 0 0
20 34 1 0 0 0 0
21 22 1 0 0 0 0
21 35 1 0 0 0 0
24 37 1 0 0 0 0
24 38 1 0 0 0 0
24 39 1 0 0 0 0
25 40 1 0 0 0 0
25 41 1 0 0 0 0
25 42 1 0 0 0 0
M END
$$$$