BE4N7Q
-OEChem-04012114112D
61 65 0 1 0 0 0 0 0999 V2000
8.7106 -1.2088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 0.7912 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
3.5827 -2.2088 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1270 -0.4041 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1270 -2.0135 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 2.7912 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -2.2088 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.3911 3.1918 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 2.2912 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.4487 1.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 1.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 2.7912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 2.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -0.2088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -0.7088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6691 -1.8020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4782 -3.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.5452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 -3.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 -1.7088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 -0.7088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -1.7088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7106 -1.2088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4376 0.5465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4376 -2.9640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4161 0.7527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7268 1.7032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0840 0.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7053 1.9094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0625 0.2146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3732 1.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0590 2.4475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9118 1.9812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8381 1.3989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2366 0.7086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3928 0.7086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7913 1.3989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7133 3.2662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9162 3.2662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7913 2.1836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3928 2.8738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9791 -1.2651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1675 -1.4376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5430 -3.8199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0982 -3.2033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5851 -2.0844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4984 -2.9096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9336 -3.6634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6916 -4.0009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9118 -0.3988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 3.4112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0457 2.4812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4171 1.1661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8238 0.6338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8483 -3.1566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6302 -3.5534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0270 -2.7714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8914 -0.5809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8979 2.4987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4766 -0.2469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9798 1.2930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 23 2 0 0 0 0
2 10 1 0 0 0 0
2 11 1 0 0 0 0
2 14 1 0 0 0 0
3 16 1 0 0 0 0
3 17 1 0 0 0 0
3 20 1 0 0 0 0
4 15 1 0 0 0 0
4 23 1 0 0 0 0
4 24 1 0 0 0 0
5 22 1 0 0 0 0
5 23 1 0 0 0 0
5 25 1 0 0 0 0
9 6 1 6 0 0 0
6 51 1 0 0 0 0
6 52 1 0 0 0 0
7 20 2 0 0 0 0
7 22 1 0 0 0 0
8 32 3 0 0 0 0
9 10 1 0 0 0 0
9 12 1 0 0 0 0
9 33 1 0 0 0 0
10 34 1 0 0 0 0
10 35 1 0 0 0 0
11 13 1 0 0 0 0
11 36 1 0 0 0 0
11 37 1 0 0 0 0
12 13 1 0 0 0 0
12 38 1 0 0 0 0
12 39 1 0 0 0 0
13 40 1 0 0 0 0
13 41 1 0 0 0 0
14 15 1 0 0 0 0
14 21 2 0 0 0 0
15 22 2 0 0 0 0
16 18 1 0 0 0 0
16 42 1 0 0 0 0
16 43 1 0 0 0 0
17 19 1 0 0 0 0
17 44 1 0 0 0 0
17 45 1 0 0 0 0
18 19 1 0 0 0 0
18 46 1 0 0 0 0
18 47 1 0 0 0 0
19 48 1 0 0 0 0
19 49 1 0 0 0 0
20 21 1 0 0 0 0
21 50 1 0 0 0 0
24 26 1 0 0 0 0
24 53 1 0 0 0 0
24 54 1 0 0 0 0
25 55 1 0 0 0 0
25 56 1 0 0 0 0
25 57 1 0 0 0 0
26 27 1 0 0 0 0
26 28 2 0 0 0 0
27 29 2 0 0 0 0
27 32 1 0 0 0 0
28 30 1 0 0 0 0
28 58 1 0 0 0 0
29 31 1 0 0 0 0
29 59 1 0 0 0 0
30 31 2 0 0 0 0
30 60 1 0 0 0 0
31 61 1 0 0 0 0
M END
$$$$