D0V1PW
-OEChem-09301911272D
51 54 0 1 0 0 0 0 0999 V2000
4.3554 1.9097 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.0997 -4.5256 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
11.0410 -1.2063 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
10.6750 0.1597 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
9.6750 -1.5723 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
5.2690 2.3164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4419 1.5029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7622 0.9961 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
6.7109 -0.7063 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 3.6892 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 4.0256 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.4429 -0.7063 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.9313 -0.6131 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.8448 -0.2063 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.2622 0.1301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7403 0.7882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7234 -1.5912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9487 2.8232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7723 -1.9002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4665 -2.2603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5769 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5644 -2.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2586 -3.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9705 3.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5769 0.7937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3076 -3.5475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7796 4.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3090 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4429 1.2937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 4.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3090 0.7937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1750 -0.7063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4131 -1.0032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3648 0.1314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7606 0.4945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8473 -0.3307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3603 0.7882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8051 1.4048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7109 -1.3263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3116 -1.4854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0562 -2.0687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9748 -3.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7194 -3.6533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5098 2.6163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0400 1.1037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9085 5.0388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4429 1.9137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 5.0626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 4.8356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 3.9887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8459 1.1037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 6 2 0 0 0 0
1 7 2 0 0 0 0
1 8 1 0 0 0 0
1 18 1 0 0 0 0
2 26 1 0 0 0 0
3 32 1 0 0 0 0
4 32 1 0 0 0 0
5 32 1 0 0 0 0
8 15 1 0 0 0 0
8 16 1 0 0 0 0
14 9 1 6 0 0 0
9 21 1 0 0 0 0
9 39 1 0 0 0 0
10 18 1 0 0 0 0
10 27 2 0 0 0 0
11 24 1 0 0 0 0
11 27 1 0 0 0 0
11 30 1 0 0 0 0
12 21 1 0 0 0 0
12 28 2 0 0 0 0
13 14 1 0 0 0 0
13 15 1 0 0 0 0
13 17 1 1 0 0 0
13 33 1 0 0 0 0
14 16 1 0 0 0 0
14 34 1 0 0 0 0
15 35 1 0 0 0 0
15 36 1 0 0 0 0
16 37 1 0 0 0 0
16 38 1 0 0 0 0
17 19 2 0 0 0 0
17 20 1 0 0 0 0
18 24 2 0 0 0 0
19 22 1 0 0 0 0
19 40 1 0 0 0 0
20 23 2 0 0 0 0
20 41 1 0 0 0 0
21 25 2 0 0 0 0
22 26 2 0 0 0 0
22 42 1 0 0 0 0
23 26 1 0 0 0 0
23 43 1 0 0 0 0
24 44 1 0 0 0 0
25 29 1 0 0 0 0
25 45 1 0 0 0 0
27 46 1 0 0 0 0
28 31 1 0 0 0 0
28 32 1 0 0 0 0
29 31 2 0 0 0 0
29 47 1 0 0 0 0
30 48 1 0 0 0 0
30 49 1 0 0 0 0
30 50 1 0 0 0 0
31 51 1 0 0 0 0
M END
$$$$