B1WF8X
-OEChem-04012119052D
28 30 0 0 0 0 0 0 0999 V2000
4.5274 1.8683 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
6.3518 1.5127 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.7328 -0.2466 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.3923 -1.4027 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.0274 0.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3424 -0.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3219 -0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.7440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7029 1.5127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7183 1.2805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0274 0.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3364 1.2805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7123 -0.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0547 0.7440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0321 0.9557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1160 -1.0325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8724 -0.7771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7081 -0.3345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3034 -0.8663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6208 1.2346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4518 0.4544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9426 2.0845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1806 1.8467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8018 -1.8683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7844 -1.5246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1633 0.3498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6380 1.0870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9008 1.5617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 10 1 0 0 0 0
1 12 1 0 0 0 0
2 12 2 0 0 0 0
2 14 1 0 0 0 0
3 13 1 0 0 0 0
3 14 2 0 0 0 0
4 13 1 0 0 0 0
4 24 1 0 0 0 0
4 25 1 0 0 0 0
5 6 1 0 0 0 0
5 10 2 0 0 0 0
5 11 1 0 0 0 0
6 7 1 0 0 0 0
6 16 1 0 0 0 0
6 17 1 0 0 0 0
7 8 1 0 0 0 0
7 18 1 0 0 0 0
7 19 1 0 0 0 0
8 9 1 0 0 0 0
8 20 1 0 0 0 0
8 21 1 0 0 0 0
9 10 1 0 0 0 0
9 22 1 0 0 0 0
9 23 1 0 0 0 0
11 12 1 0 0 0 0
11 13 2 0 0 0 0
14 15 1 0 0 0 0
15 26 1 0 0 0 0
15 27 1 0 0 0 0
15 28 1 0 0 0 0
M END
$$$$