B1JL3E
-OEChem-04012112582D
44 46 0 0 0 0 0 0 0999 V2000
8.2078 -0.2358 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.9136 3.6739 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
3.5946 -3.5875 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 4.0807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8271 3.2672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5946 -3.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5946 -3.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5946 0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.0946 1.9514 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0946 1.9514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4036 1.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5068 2.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5946 -0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7856 1.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3547 0.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5946 -2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4606 -1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7286 -1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4606 -2.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7286 -2.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3203 4.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0978 1.3604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5626 -0.2869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5946 -4.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0489 1.0514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5136 -0.5959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2568 0.0733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9928 3.1071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0761 2.3144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1959 0.8087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9976 -0.7775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1916 -0.7775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9976 -2.3975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1916 -2.3975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8867 4.3353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5725 5.1539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7539 4.8396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9689 1.9669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1018 -0.7017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9746 -4.5875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5946 -5.2075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2146 -4.5875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5096 1.4663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6425 -1.2023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 27 1 0 0 0 0
2 4 2 0 0 0 0
2 5 2 0 0 0 0
2 12 1 0 0 0 0
2 21 1 0 0 0 0
3 6 2 0 0 0 0
3 7 2 0 0 0 0
3 16 1 0 0 0 0
3 24 1 0 0 0 0
8 11 1 0 0 0 0
8 13 1 0 0 0 0
8 14 1 0 0 0 0
9 10 1 0 0 0 0
9 11 2 0 0 0 0
10 12 1 0 0 0 0
10 14 2 0 0 0 0
11 15 1 0 0 0 0
12 28 1 0 0 0 0
12 29 1 0 0 0 0
13 17 2 0 0 0 0
13 18 1 0 0 0 0
14 30 1 0 0 0 0
15 22 2 0 0 0 0
15 23 1 0 0 0 0
16 19 2 0 0 0 0
16 20 1 0 0 0 0
17 19 1 0 0 0 0
17 31 1 0 0 0 0
18 20 2 0 0 0 0
18 32 1 0 0 0 0
19 33 1 0 0 0 0
20 34 1 0 0 0 0
21 35 1 0 0 0 0
21 36 1 0 0 0 0
21 37 1 0 0 0 0
22 25 1 0 0 0 0
22 38 1 0 0 0 0
23 26 2 0 0 0 0
23 39 1 0 0 0 0
24 40 1 0 0 0 0
24 41 1 0 0 0 0
24 42 1 0 0 0 0
25 27 2 0 0 0 0
25 43 1 0 0 0 0
26 27 1 0 0 0 0
26 44 1 0 0 0 0
M END
$$$$