BG8DS4
-OEChem-04022105362D
51 53 0 1 0 0 0 0 0999 V2000
10.7206 -3.3841 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.5748 0.1407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0121 1.1699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2565 0.6159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4769 -0.4774 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.8078 -1.2205 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.1225 -0.8841 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.7206 0.6159 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.5296 1.2037 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.2206 2.1547 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.2206 2.1547 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3905 -0.8841 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.2859 -1.8786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3179 0.8098 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.1100 1.7879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2690 0.5008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1590 2.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2565 -0.3841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3078 -2.0866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9511 3.0751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9885 -0.3841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8546 -0.8841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.3841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7206 -0.3841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8546 -1.8841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5866 -0.8841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7206 -2.3841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5866 -1.8841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9116 1.2037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3580 -0.2650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3507 -2.4952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9059 -1.8786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7283 1.0014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7296 1.8096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1963 2.4019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5394 2.0753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0727 1.4830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0556 -2.6530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5707 3.0967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0373 3.6891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1225 -1.5041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3870 0.0908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5900 0.0908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9851 0.3322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1916 3.9738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4103 3.5757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8084 2.7945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3176 -2.1941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1235 -0.5741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1235 -2.1941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3219 1.0121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 27 1 0 0 0 0
14 2 1 6 0 0 0
2 44 1 0 0 0 0
3 16 2 0 0 0 0
4 18 2 0 0 0 0
5 6 1 0 0 0 0
5 12 1 0 0 0 0
5 16 1 0 0 0 0
6 19 2 0 0 0 0
7 18 1 0 0 0 0
7 21 1 0 0 0 0
7 41 1 0 0 0 0
8 9 1 0 0 0 0
8 24 1 0 0 0 0
8 29 1 0 0 0 0
9 11 2 0 0 0 0
10 11 1 0 0 0 0
10 29 2 0 0 0 0
12 13 1 0 0 0 0
12 18 1 6 0 0 0
12 30 1 0 0 0 0
13 19 1 0 0 0 0
13 31 1 0 0 0 0
13 32 1 0 0 0 0
14 15 1 0 0 0 0
14 16 1 0 0 0 0
14 33 1 0 0 0 0
15 17 1 0 0 0 0
15 34 1 0 0 0 0
15 35 1 0 0 0 0
17 20 1 0 0 0 0
17 36 1 0 0 0 0
17 37 1 0 0 0 0
19 38 1 0 0 0 0
20 23 1 0 0 0 0
20 39 1 0 0 0 0
20 40 1 0 0 0 0
21 22 1 0 0 0 0
21 42 1 0 0 0 0
21 43 1 0 0 0 0
22 24 2 0 0 0 0
22 25 1 0 0 0 0
23 45 1 0 0 0 0
23 46 1 0 0 0 0
23 47 1 0 0 0 0
24 26 1 0 0 0 0
25 27 2 0 0 0 0
25 48 1 0 0 0 0
26 28 2 0 0 0 0
26 49 1 0 0 0 0
27 28 1 0 0 0 0
28 50 1 0 0 0 0
29 51 1 0 0 0 0
M END
$$$$