D0T1RG
-OEChem-10121500162D
44 47 0 0 0 0 0 0 0999 V2000
4.1756 -2.8173 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
5.0558 0.2300 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
6.0727 2.6094 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
10.5875 -0.0804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.5875 -1.6899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.9093 1.6148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0776 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0339 0.0220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0878 -0.4694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8479 -0.7482 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.2788 -1.0572 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.9093 -0.3852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0432 0.1148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9093 -1.3852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2637 1.2081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1772 1.6148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7753 0.1148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0432 1.1148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6413 -0.3852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6413 -1.3852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7753 -1.8852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0432 -1.8852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5946 1.9512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1712 -0.8852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0946 2.8173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8968 -1.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5878 -2.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5878 -2.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.8173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4327 0.2225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8312 -0.4678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7753 0.7348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7753 -2.5052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7332 -1.3482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5063 -2.1952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3532 -2.4221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9780 1.8864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3086 -1.1630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.6320 -1.2999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.6320 -0.4704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8424 3.3837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4984 -2.4529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6356 -3.3189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5016 -3.1817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 27 1 0 0 0 0
2 7 2 0 0 0 0
2 8 2 0 0 0 0
2 10 1 0 0 0 0
2 15 1 0 0 0 0
3 16 1 0 0 0 0
3 25 1 0 0 0 0
4 19 1 0 0 0 0
4 24 1 0 0 0 0
5 20 1 0 0 0 0
5 24 1 0 0 0 0
6 18 2 0 0 0 0
9 11 1 0 0 0 0
9 26 1 0 0 0 0
10 26 1 0 0 0 0
10 38 1 0 0 0 0
11 28 2 0 0 0 0
12 13 1 0 0 0 0
12 14 1 0 0 0 0
12 17 2 0 0 0 0
13 18 1 0 0 0 0
13 30 1 0 0 0 0
13 31 1 0 0 0 0
14 21 2 0 0 0 0
14 22 1 0 0 0 0
15 16 2 0 0 0 0
15 23 1 0 0 0 0
16 18 1 0 0 0 0
17 19 1 0 0 0 0
17 32 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
21 33 1 0 0 0 0
22 34 1 0 0 0 0
22 35 1 0 0 0 0
22 36 1 0 0 0 0
23 25 2 0 0 0 0
23 37 1 0 0 0 0
24 39 1 0 0 0 0
24 40 1 0 0 0 0
25 41 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 42 1 0 0 0 0
29 43 1 0 0 0 0
29 44 1 0 0 0 0
M END
$$$$