B4A1UM
-OEChem-04012115202D
56 58 0 1 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
8.0622 -0.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
7.5622 0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5622 -1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.0000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
5.4641 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 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -0.0000 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
8.0622 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.5000 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
9.7942 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 1.0000 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
7.1962 -4.0000 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
10.6603 1.0000 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
10.6603 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 1.5000 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
11.5263 1.5000 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
4.5981 3.5000 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
3.7320 4.0000 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
5.7196 -0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1181 -1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8626 -1.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0656 -1.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7932 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3913 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2881 -1.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0611 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9081 -3.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9272 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0747 1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6762 2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1972 -0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8363 0.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.0632 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2163 2.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.3800 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
2.3291 2.1900 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 31 1 0 0 0 0
2 3 2 0 0 0 0
2 4 2 0 0 0 0
2 6 1 0 0 0 0
2 11 1 0 0 0 0
5 14 2 0 0 0 0
6 8 1 0 0 0 0
6 9 1 0 0 0 0
7 14 1 0 0 0 0
7 22 1 0 0 0 0
7 45 1 0 0 0 0
8 10 1 0 0 0 0
8 13 2 0 0 0 0
9 14 1 0 0 0 0
9 32 1 0 0 0 0
9 33 1 0 0 0 0
10 12 1 0 0 0 0
10 15 2 0 0 0 0
11 16 2 0 0 0 0
11 17 1 0 0 0 0
12 20 1 0 0 0 0
12 34 1 0 0 0 0
12 35 1 0 0 0 0
13 18 1 0 0 0 0
13 36 1 0 0 0 0
15 19 1 0 0 0 0
15 37 1 0 0 0 0
16 23 1 0 0 0 0
16 38 1 0 0 0 0
17 24 2 0 0 0 0
17 39 1 0 0 0 0
18 19 2 0 0 0 0
18 40 1 0 0 0 0
19 41 1 0 0 0 0
20 42 1 0 0 0 0
20 43 1 0 0 0 0
20 44 1 0 0 0 0
21 23 2 0 0 0 0
21 24 1 0 0 0 0
21 26 1 0 0 0 0
22 25 1 0 0 0 0
22 46 1 0 0 0 0
22 47 1 0 0 0 0
23 48 1 0 0 0 0
24 49 1 0 0 0 0
25 27 2 0 0 0 0
25 28 1 0 0 0 0
26 50 1 0 0 0 0
26 51 1 0 0 0 0
26 52 1 0 0 0 0
27 29 1 0 0 0 0
27 53 1 0 0 0 0
28 30 2 0 0 0 0
28 54 1 0 0 0 0
29 31 2 0 0 0 0
29 55 1 0 0 0 0
30 31 1 0 0 0 0
30 56 1 0 0 0 0
M END
$$$$