D06SDP
-OEChem-10101305032D
42 44 0 1 0 0 0 0 0999 V2000
2.0182 -0.0857 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
9.8511 -0.5826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3864 0.4174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6544 -0.5826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5422 1.9489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6544 -2.5826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0024 1.9626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9845 -0.0825 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.9845 -1.0825 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.1185 0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2525 -0.0825 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.1185 -1.5825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1185 -0.5825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2525 -1.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5204 -0.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6544 0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7884 -0.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3864 -1.5825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7884 -1.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6704 1.4590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5204 -1.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6544 -1.5825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8784 0.4243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7724 1.9867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8703 1.4659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2944 0.4544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2944 -1.6195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5170 0.8924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7200 0.8924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9425 -0.6195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1185 -2.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8086 -1.1194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6555 -0.8924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4285 -0.0455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8539 -0.6076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3864 -2.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1778 -0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5763 -1.6652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9190 -0.6076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7748 2.6067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5494 2.5689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 23 1 0 0 0 0
8 2 1 1 0 0 0
9 2 1 6 0 0 0
3 11 1 0 0 0 0
3 15 1 0 0 0 0
4 15 2 0 0 0 0
5 20 1 0 0 0 0
5 41 1 0 0 0 0
6 22 2 0 0 0 0
7 25 1 0 0 0 0
7 42 1 0 0 0 0
8 9 1 0 0 0 0
8 10 1 0 0 0 0
8 26 1 0 0 0 0
9 12 1 0 0 0 0
9 27 1 0 0 0 0
10 11 1 0 0 0 0
10 28 1 0 0 0 0
10 29 1 0 0 0 0
11 13 1 1 0 0 0
11 30 1 0 0 0 0
12 14 2 0 0 0 0
12 31 1 0 0 0 0
13 32 1 0 0 0 0
13 33 1 0 0 0 0
13 34 1 0 0 0 0
14 18 1 0 0 0 0
14 35 1 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
16 20 1 0 0 0 0
17 19 1 0 0 0 0
17 23 1 0 0 0 0
18 21 2 0 0 0 0
18 36 1 0 0 0 0
19 22 1 0 0 0 0
19 37 1 0 0 0 0
19 38 1 0 0 0 0
20 24 2 0 0 0 0
21 22 1 0 0 0 0
21 39 1 0 0 0 0
23 25 2 0 0 0 0
24 25 1 0 0 0 0
24 40 1 0 0 0 0
M END
$$$$