BSUD29
-OEChem-04012116512D
42 44 0 0 0 0 0 0 0999 V2000
4.5981 -4.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3894 3.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7880 2.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7880 4.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3894 3.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3426 3.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9441 4.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 -1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7976 -2.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5947 -2.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4607 -1.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6636 -1.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 -1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 25 1 0 0 0 0
2 12 1 0 0 0 0
2 15 1 0 0 0 0
3 14 2 0 0 0 0
4 22 1 0 0 0 0
4 24 1 0 0 0 0
5 11 1 0 0 0 0
5 13 1 0 0 0 0
5 14 1 0 0 0 0
6 18 1 0 0 0 0
6 21 1 0 0 0 0
6 36 1 0 0 0 0
7 21 2 0 0 0 0
7 24 1 0 0 0 0
8 21 1 0 0 0 0
8 25 2 0 0 0 0
9 24 2 0 0 0 0
9 25 1 0 0 0 0
10 23 1 0 0 0 0
10 41 1 0 0 0 0
10 42 1 0 0 0 0
11 12 1 0 0 0 0
11 26 1 0 0 0 0
11 27 1 0 0 0 0
12 28 1 0 0 0 0
12 29 1 0 0 0 0
13 16 2 0 0 0 0
13 17 1 0 0 0 0
14 15 1 0 0 0 0
15 30 1 0 0 0 0
15 31 1 0 0 0 0
16 19 1 0 0 0 0
16 32 1 0 0 0 0
17 20 2 0 0 0 0
17 33 1 0 0 0 0
18 19 2 0 0 0 0
18 20 1 0 0 0 0
19 34 1 0 0 0 0
20 35 1 0 0 0 0
22 23 1 0 0 0 0
22 37 1 0 0 0 0
22 38 1 0 0 0 0
23 39 1 0 0 0 0
23 40 1 0 0 0 0
M END
$$$$