BY8IS1
-OEChem-04012116122D
39 40 0 0 0 0 0 0 0999 V2000
2.0000 -4.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.0000 0.0000 N 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
6.3301 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 3.5000 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
5.4641 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.5000 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
2.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.5000 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
3.7320 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7976 1.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5947 1.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1181 4.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7196 3.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2742 1.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6728 2.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5947 4.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7976 4.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6728 3.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2742 4.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2520 2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8535 1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6762 0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0747 1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0611 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 17 1 0 0 0 0
2 13 2 0 0 0 0
3 6 1 0 0 0 0
3 7 1 0 0 0 0
3 11 1 0 0 0 0
4 12 1 0 0 0 0
4 13 1 0 0 0 0
4 34 1 0 0 0 0
5 13 1 0 0 0 0
5 14 1 0 0 0 0
5 35 1 0 0 0 0
6 8 1 0 0 0 0
6 20 1 0 0 0 0
6 21 1 0 0 0 0
7 9 1 0 0 0 0
7 22 1 0 0 0 0
7 23 1 0 0 0 0
8 10 1 0 0 0 0
8 24 1 0 0 0 0
8 25 1 0 0 0 0
9 10 1 0 0 0 0
9 26 1 0 0 0 0
9 27 1 0 0 0 0
10 28 1 0 0 0 0
10 29 1 0 0 0 0
11 12 1 0 0 0 0
11 30 1 0 0 0 0
11 31 1 0 0 0 0
12 32 1 0 0 0 0
12 33 1 0 0 0 0
14 15 2 0 0 0 0
14 16 1 0 0 0 0
15 17 1 0 0 0 0
15 36 1 0 0 0 0
16 18 2 0 0 0 0
16 37 1 0 0 0 0
17 19 2 0 0 0 0
18 19 1 0 0 0 0
18 38 1 0 0 0 0
19 39 1 0 0 0 0
M END
$$$$