BWZ74U
-OEChem-04012115082D
44 47 0 1 0 0 0 0 0999 V2000
6.4103 0.5959 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.7088 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
3.3660 -2.0749 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.3660 -0.3428 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
8.5817 0.6002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.2373 -2.2912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.2912 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
5.4641 2.2912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.2553 -0.8899 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.5817 -1.0179 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.4103 -1.0136 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.7912 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
12.1214 -1.3899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4632 0.0883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.8645 -0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4578 0.1928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3418 -1.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5328 -0.7088 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
9.5328 0.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9939 -0.2088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9939 -0.2088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.7088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.7912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.7088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.2088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.7912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.2088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7569 -1.8915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.5821 -1.8048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4632 0.7083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8466 0.1531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.2289 -1.2224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.4014 -0.4108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.0474 0.3844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.3289 0.7992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4358 -1.3212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1494 0.2263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6617 0.8976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.8288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1760 1.3281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 1.1012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5560 0.2542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 21 1 0 0 0 0
1 22 1 0 0 0 0
2 29 1 0 0 0 0
3 29 1 0 0 0 0
4 29 1 0 0 0 0
5 19 1 0 0 0 0
5 20 1 0 0 0 0
6 17 2 0 0 0 0
7 12 1 0 0 0 0
8 12 2 0 0 0 0
9 13 1 0 0 0 0
9 14 1 0 0 0 0
9 17 1 0 0 0 0
10 18 1 0 0 0 0
10 20 2 0 0 0 0
11 21 2 0 0 0 0
11 23 1 0 0 0 0
12 24 1 0 0 0 0
13 15 1 0 0 0 0
13 30 1 0 0 0 0
13 31 1 0 0 0 0
14 16 1 0 0 0 0
14 32 1 0 0 0 0
14 33 1 0 0 0 0
15 16 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
16 37 1 0 0 0 0
18 17 1 1 0 0 0
18 19 1 0 0 0 0
18 38 1 0 0 0 0
19 39 1 0 0 0 0
19 40 1 0 0 0 0
20 21 1 0 0 0 0
22 23 2 0 0 0 0
22 24 1 0 0 0 0
23 27 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
25 28 1 0 0 0 0
26 27 2 0 0 0 0
26 29 1 0 0 0 0
27 41 1 0 0 0 0
28 42 1 0 0 0 0
28 43 1 0 0 0 0
28 44 1 0 0 0 0
M CHG 2 7 -1 12 1
M END
$$$$