B13IXO
-OEChem-04022101532D
54 58 0 0 0 0 0 0 0999 V2000
7.1270 2.0336 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
11.7106 1.2288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4782 3.2234 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6691 1.8221 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1270 0.4241 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
13.7106 -2.2353 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
16.2106 -3.1013 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 2.2288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 1.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 3.4313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 1.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 2.2288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 0.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 0.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 0.2288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7106 1.2288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7106 1.2288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2106 2.0949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2106 0.3628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7106 1.2288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2106 2.0949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2106 0.3628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2106 -1.3692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.7106 -2.2353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2106 0.3628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2106 -1.3692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.7106 -0.5032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7106 -0.5032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2106 0.3628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.2106 -3.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6916 4.0209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9336 3.6834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4984 2.9297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5851 2.1045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9389 3.6382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 2.8488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9118 0.4188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -0.3912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9006 2.6318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9006 -0.1741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5206 2.6318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5206 -0.1741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
15.2932 -2.0232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.6029 -1.6247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.4006 -2.7722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9006 -1.9062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.3306 -0.5032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0906 -0.5032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.5206 0.8998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.6280 -3.3133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
15.3182 -3.7119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
16.5206 -3.6382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
16.5206 -2.5644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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31 51 1 0 0 0 0
31 52 1 0 0 0 0
M END
$$$$