D0E6BB
-OEChem-10101305022D
89 91 0 1 0 0 0 0 0999 V2000
8.5991 3.4826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.3312 0.4826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.3312 3.4826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.3312 2.4826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 5.4826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.1972 4.9826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.3312 -1.2495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 0.9826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 3.4826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.3312 -6.4456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 2.4826 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0992 -0.3835 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.3312 6.4826 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
12.3312 0.4826 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.8312 -3.8476 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 1.9826 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 2.4826 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.7331 1.9826 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
9.4651 1.9826 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
9.4651 0.9826 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.5991 0.4826 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.7331 0.9826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 3.9826 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
10.3312 5.4826 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
9.4651 4.9826 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
11.1972 4.9826 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
11.1972 3.9826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8313 -0.3834 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
11.6972 5.8486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8312 -0.3835 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.0010 1.9826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3312 -1.2495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 2.4826 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
9.4651 6.9826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8312 -2.1155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8313 -2.1155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 1.9826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3312 -2.9815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 2.4826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3312 -4.7136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8312 -5.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 2.7926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 2.6026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 2.6026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0021 1.2926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0375 0.0442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1225 1.0902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5210 0.4000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 3.3626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8681 5.7926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 5.6026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 3.1026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4092 3.4000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8078 4.0902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4792 -0.3835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4091 -0.9204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1412 0.1535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8681 2.1726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.2341 5.5386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.0072 6.3855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1603 6.1586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8681 6.7926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.4512 -0.3835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 5.1726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.5072 5.5195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.8061 -1.6480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.8061 -0.8509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6720 2.7926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7751 7.5195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 7.2926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1551 6.4456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1413 -2.6524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.9512 0.4826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.0212 1.0195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8705 1.5076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6675 1.5076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8562 -2.5830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8563 -3.3801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.7926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8015 2.9575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0044 2.9575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4512 -3.8475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.2926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 1.3626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8562 -4.3150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8562 -5.1121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.3062 -5.9781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.3062 -5.1811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6412 -6.9826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
17 1 1 6 0 0 0
23 1 1 6 0 0 0
20 2 1 6 0 0 0
28 2 1 6 0 0 0
3 23 1 0 0 0 0
3 27 1 0 0 0 0
19 4 1 1 0 0 0
4 58 1 0 0 0 0
25 5 1 6 0 0 0
5 64 1 0 0 0 0
26 6 1 1 0 0 0
6 65 1 0 0 0 0
7 28 1 0 0 0 0
7 35 1 0 0 0 0
8 31 2 0 0 0 0
33 9 1 6 0 0 0
9 79 1 0 0 0 0
10 41 1 0 0 0 0
10 89 1 0 0 0 0
18 11 1 1 0 0 0
11 31 1 0 0 0 0
11 52 1 0 0 0 0
21 12 1 1 0 0 0
12 55 1 0 0 0 0
12 56 1 0 0 0 0
24 13 1 1 0 0 0
13 34 1 0 0 0 0
13 62 1 0 0 0 0
30 14 1 6 0 0 0
14 73 1 0 0 0 0
14 74 1 0 0 0 0
15 38 1 0 0 0 0
15 40 1 0 0 0 0
15 82 1 0 0 0 0
16 39 1 0 0 0 0
16 83 1 0 0 0 0
16 84 1 0 0 0 0
17 18 1 0 0 0 0
17 19 1 0 0 0 0
17 42 1 0 0 0 0
18 22 1 0 0 0 0
18 43 1 0 0 0 0
19 20 1 0 0 0 0
19 44 1 0 0 0 0
20 21 1 0 0 0 0
20 45 1 0 0 0 0
21 22 1 0 0 0 0
21 46 1 0 0 0 0
22 47 1 0 0 0 0
22 48 1 0 0 0 0
23 25 1 0 0 0 0
23 49 1 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
24 50 1 0 0 0 0
25 51 1 0 0 0 0
26 27 1 0 0 0 0
26 29 1 0 0 0 0
27 53 1 0 0 0 0
27 54 1 0 0 0 0
28 30 1 0 0 0 0
28 57 1 0 0 0 0
29 59 1 0 0 0 0
29 60 1 0 0 0 0
29 61 1 0 0 0 0
30 32 1 0 0 0 0
30 63 1 0 0 0 0
31 33 1 0 0 0 0
32 36 1 0 0 0 0
32 66 1 0 0 0 0
32 67 1 0 0 0 0
33 37 1 0 0 0 0
33 68 1 0 0 0 0
34 69 1 0 0 0 0
34 70 1 0 0 0 0
34 71 1 0 0 0 0
35 36 2 0 0 0 0
35 38 1 0 0 0 0
36 72 1 0 0 0 0
37 39 1 0 0 0 0
37 75 1 0 0 0 0
37 76 1 0 0 0 0
38 77 1 0 0 0 0
38 78 1 0 0 0 0
39 80 1 0 0 0 0
39 81 1 0 0 0 0
40 41 1 0 0 0 0
40 85 1 0 0 0 0
40 86 1 0 0 0 0
41 87 1 0 0 0 0
41 88 1 0 0 0 0
M END
$$$$