D01DSP
-OEChem-10101305022D
45 47 0 1 0 0 0 0 0999 V2000
6.3301 -0.6649 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
11.5486 -1.0725 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
8.9101 1.5478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.8351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.8350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.8350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.1373 0.3446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.3350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.8351 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.9101 -0.8777 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
13.6656 -3.1982 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.1649 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.2044 -0.1691 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.2044 0.8392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.3350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.8351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.3350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.3350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8765 -0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5822 -1.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.3350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2543 -1.7811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.8351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2208 -1.5243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.9935 -2.7465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.9264 -2.2328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6991 -3.4550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4145 -0.9864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9654 -0.7412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8535 -0.0573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2520 -0.7476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7484 -1.4762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9966 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1996 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0736 -1.6840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8431 -1.8918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.4550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 1.3720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 0.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 0.2981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.3825 -0.9257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.3943 -2.9057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.5256 -2.0736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.5375 -4.0536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 12 1 0 0 0 0
1 17 1 0 0 0 0
2 21 1 0 0 0 0
2 23 1 0 0 0 0
3 14 2 0 0 0 0
4 18 1 0 0 0 0
4 22 1 0 0 0 0
5 19 1 0 0 0 0
5 38 1 0 0 0 0
6 19 2 0 0 0 0
7 20 2 0 0 0 0
8 22 2 0 0 0 0
9 12 1 0 0 0 0
9 14 1 0 0 0 0
9 15 1 0 0 0 0
13 10 1 1 0 0 0
10 20 1 0 0 0 0
10 33 1 0 0 0 0
11 27 2 0 0 0 0
11 28 1 0 0 0 0
12 13 1 0 0 0 0
12 29 1 6 0 0 0
13 14 1 0 0 0 0
13 30 1 0 0 0 0
15 16 2 0 0 0 0
15 19 1 0 0 0 0
16 17 1 0 0 0 0
16 18 1 0 0 0 0
17 31 1 0 0 0 0
17 32 1 0 0 0 0
18 34 1 0 0 0 0
18 35 1 0 0 0 0
20 21 1 0 0 0 0
21 36 1 0 0 0 0
21 37 1 0 0 0 0
22 24 1 0 0 0 0
23 25 2 0 0 0 0
23 26 1 0 0 0 0
24 39 1 0 0 0 0
24 40 1 0 0 0 0
24 41 1 0 0 0 0
25 27 1 0 0 0 0
25 42 1 0 0 0 0
26 28 2 0 0 0 0
26 43 1 0 0 0 0
27 44 1 0 0 0 0
28 45 1 0 0 0 0
M END
$$$$