B50PJV
-OEChem-04022103312D
53 56 0 1 0 0 0 0 0999 V2000
7.5309 -0.6092 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
12.0309 0.2569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.5309 -2.3412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.5309 -2.3412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.5309 -0.6092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.5309 1.1229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2579 2.8781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 0.6229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.5309 1.1229 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 1.6229 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.9473 0.3182 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
13.0309 -1.4752 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
12.0309 -1.4752 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
13.5309 -0.6092 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
11.5309 -0.6092 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
13.0309 0.2569 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
10.5309 -0.6092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.5309 1.1229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0309 0.2569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0309 -1.4752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0309 0.2569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5309 1.1229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0309 -1.4752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5309 -0.6092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9473 1.9276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 0.6229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 0.1229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 2.1229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 0.6229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 1.6229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 0.1229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4109 -1.4752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.7209 -2.0121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.8409 -1.1461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2209 -0.0722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.7209 0.7938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.6385 1.7335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.9483 1.3349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3409 0.7938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8409 -2.8781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.1509 -2.3412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.8409 -1.1461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3409 -2.0121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1135 1.3349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4232 1.7335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7209 -2.0121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.8409 1.6598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -0.4971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 2.7429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.9329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0044 -0.3521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8015 -0.3521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.3129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 24 1 0 0 0 0
2 15 1 0 0 0 0
2 16 1 0 0 0 0
13 3 1 1 0 0 0
3 40 1 0 0 0 0
12 4 1 6 0 0 0
4 41 1 0 0 0 0
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5 42 1 0 0 0 0
6 18 1 0 0 0 0
6 47 1 0 0 0 0
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14 16 1 0 0 0 0
14 34 1 0 0 0 0
15 17 1 6 0 0 0
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16 18 1 6 0 0 0
16 36 1 0 0 0 0
17 19 2 0 0 0 0
17 20 1 0 0 0 0
18 37 1 0 0 0 0
18 38 1 0 0 0 0
19 21 1 0 0 0 0
19 39 1 0 0 0 0
20 23 2 0 0 0 0
20 43 1 0 0 0 0
21 22 1 0 0 0 0
21 24 2 0 0 0 0
22 44 1 0 0 0 0
22 45 1 0 0 0 0
23 24 1 0 0 0 0
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26 27 1 0 0 0 0
27 29 2 0 0 0 0
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28 30 2 0 0 0 0
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29 30 1 0 0 0 0
29 31 1 0 0 0 0
30 50 1 0 0 0 0
31 51 1 0 0 0 0
31 52 1 0 0 0 0
M END
$$$$