B1W3SJ
-OEChem-04042104123D
39 41 0 1 0 0 0 0 0999 V2000
-2.2991 -3.9182 0.4183 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.5206 -0.2229 -0.9302 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3854 0.7077 1.8393 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6226 0.4631 -0.2468 N 0 0 0 0 0 0 0 0 0 0 0 0
0.2723 1.8124 -0.0932 N 0 0 0 0 0 0 0 0 0 0 0 0
4.0394 -2.8503 0.5604 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.7139 1.3597 -0.5745 N 0 0 0 0 0 0 0 0 0 0 0 0
4.3623 -0.6491 -0.8453 C 0 0 1 0 0 0 0 0 0 0 0 0
5.8166 -0.1751 -0.8241 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8781 0.7210 0.4098 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5256 1.4173 0.3933 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2504 0.6052 -0.3830 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6666 1.8675 0.2000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1818 -1.8799 -0.0592 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6638 1.2274 0.7619 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0755 1.2276 0.2993 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8080 0.0493 0.1023 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1422 0.1631 -0.3415 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6619 2.4621 0.0601 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2432 -1.2161 0.3357 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8693 -1.0079 -0.5372 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9726 2.4729 -0.3719 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9934 -2.3707 0.1318 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3081 -2.2661 -0.3052 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0102 -0.8117 -1.8700 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0198 0.4320 -1.7155 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5508 -0.9862 -0.7912 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9765 0.1079 1.3136 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7135 1.4260 0.3837 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5502 2.3226 -0.2229 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1734 1.6763 1.3955 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0901 2.7487 -0.2881 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8296 1.9024 1.2802 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0431 2.1952 -0.9801 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1267 3.3941 0.2068 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2124 -1.3245 0.6630 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9013 -0.9528 -0.8792 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4839 3.4085 -0.5739 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9132 -3.1537 -0.4714 H 0 0 0 0 0 0 0 0 0 0 0 0
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2 12 2 0 0 0 0
3 15 2 0 0 0 0
4 8 1 0 0 0 0
4 11 1 0 0 0 0
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5 13 1 0 0 0 0
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5 34 1 0 0 0 0
6 14 3 0 0 0 0
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7 22 1 0 0 0 0
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8 14 1 0 0 0 0
8 25 1 0 0 0 0
9 10 1 0 0 0 0
9 26 1 0 0 0 0
9 27 1 0 0 0 0
10 11 1 0 0 0 0
10 28 1 0 0 0 0
10 29 1 0 0 0 0
11 30 1 0 0 0 0
11 31 1 0 0 0 0
12 13 1 0 0 0 0
13 32 1 0 0 0 0
13 33 1 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
16 19 1 0 0 0 0
17 18 1 0 0 0 0
17 20 1 0 0 0 0
18 21 1 0 0 0 0
19 22 2 0 0 0 0
19 35 1 0 0 0 0
20 23 2 0 0 0 0
20 36 1 0 0 0 0
21 24 2 0 0 0 0
21 37 1 0 0 0 0
22 38 1 0 0 0 0
23 24 1 0 0 0 0
24 39 1 0 0 0 0
M END
$$$$