D0S7VZ
-OEChem-04152108562D
53 56 0 1 0 0 0 0 0999 V2000
7.8393 -0.7673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4278 -1.3689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5411 -2.6957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5082 2.8557 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.0202 0.2587 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.1335 -1.0681 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0304 0.9072 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.7716 1.8731 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
0.6315 0.3984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3727 1.3643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2515 0.0415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8049 1.5620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0805 0.6007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0082 3.7218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4317 0.8602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7889 1.6263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7737 1.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6053 -0.1246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1938 -0.7261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0129 -1.7522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3072 -2.0529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2469 -2.3949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9526 -2.0942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4205 -3.3798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1263 -3.0790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3602 -3.7218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2504 0.0862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5516 2.6942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8264 -0.1902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0375 0.2206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2213 1.1865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1777 1.9529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6573 -0.4272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8348 -0.4176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8099 2.1820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4192 1.6458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1560 -0.0146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4713 4.0318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3182 4.2587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5452 3.4118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4951 0.6572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0493 0.8062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2519 1.3163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5768 2.2089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7737 2.4199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3843 1.6923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1879 0.0875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9153 -0.6615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6085 -0.6696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4276 -1.6956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9456 -3.7783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7089 -3.2910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4679 -4.3324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 18 1 0 0 0 0
1 20 1 0 0 0 0
2 19 2 0 0 0 0
3 21 2 0 0 0 0
4 7 1 0 0 0 0
4 8 1 0 0 0 0
4 14 1 0 0 0 0
5 13 1 0 0 0 0
5 19 1 0 0 0 0
5 41 1 0 0 0 0
6 19 1 0 0 0 0
6 21 1 0 0 0 0
6 49 1 0 0 0 0
7 9 1 0 0 0 0
7 11 1 0 0 0 0
7 27 1 1 0 0 0
8 10 1 0 0 0 0
8 12 1 0 0 0 0
8 28 1 6 0 0 0
9 10 1 0 0 0 0
9 29 1 0 0 0 0
9 30 1 0 0 0 0
10 31 1 0 0 0 0
10 32 1 0 0 0 0
11 13 1 0 0 0 0
11 33 1 0 0 0 0
11 34 1 0 0 0 0
12 13 1 0 0 0 0
12 35 1 0 0 0 0
12 36 1 0 0 0 0
13 37 1 0 0 0 0
14 38 1 0 0 0 0
14 39 1 0 0 0 0
14 40 1 0 0 0 0
15 16 1 0 0 0 0
15 17 1 0 0 0 0
15 18 1 0 0 0 0
15 42 1 0 0 0 0
16 17 1 0 0 0 0
16 43 1 0 0 0 0
16 44 1 0 0 0 0
17 45 1 0 0 0 0
17 46 1 0 0 0 0
18 47 1 0 0 0 0
18 48 1 0 0 0 0
20 22 1 0 0 0 0
20 23 2 0 0 0 0
21 22 1 0 0 0 0
22 24 2 0 0 0 0
23 25 1 0 0 0 0
23 50 1 0 0 0 0
24 26 1 0 0 0 0
24 51 1 0 0 0 0
25 26 2 0 0 0 0
25 52 1 0 0 0 0
26 53 1 0 0 0 0
M END
$$$$