BJS73U
-OEChem-04022108542D
41 44 0 0 0 0 0 0 0999 V2000
4.5274 3.7092 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
5.3923 0.4382 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3518 3.3536 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.7328 1.5943 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.0274 2.1703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3424 1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3219 1.5943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.5850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7029 3.3536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7183 3.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0274 2.1703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3364 3.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7123 1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0528 -0.3127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7328 -1.2601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0547 2.5850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3933 -2.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0733 -2.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3738 -1.8143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7338 -3.7092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0343 -2.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7143 -3.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1160 0.8084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8724 1.0638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7081 1.5064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3034 0.9746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6208 3.0755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4518 2.2953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9426 3.9254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1806 3.6876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7844 0.3163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5968 -0.6100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4402 0.1715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1888 -0.9627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3455 -1.7442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6607 2.7162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4654 -3.0802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5722 -1.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5354 -4.2966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6422 -2.4433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1238 -3.9781 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 13 1 0 0 0 0
2 14 1 0 0 0 0
2 31 1 0 0 0 0
3 12 2 0 0 0 0
3 16 1 0 0 0 0
4 13 1 0 0 0 0
4 16 2 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 23 1 0 0 0 0
6 24 1 0 0 0 0
7 8 1 0 0 0 0
7 25 1 0 0 0 0
7 26 1 0 0 0 0
8 9 1 0 0 0 0
8 27 1 0 0 0 0
8 28 1 0 0 0 0
9 10 1 0 0 0 0
9 29 1 0 0 0 0
9 30 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
14 32 1 0 0 0 0
14 33 1 0 0 0 0
15 17 1 0 0 0 0
15 34 1 0 0 0 0
15 35 1 0 0 0 0
16 36 1 0 0 0 0
17 18 2 0 0 0 0
17 19 1 0 0 0 0
18 20 1 0 0 0 0
18 37 1 0 0 0 0
19 21 2 0 0 0 0
19 38 1 0 0 0 0
20 22 2 0 0 0 0
20 39 1 0 0 0 0
21 22 1 0 0 0 0
21 40 1 0 0 0 0
22 41 1 0 0 0 0
M END
$$$$