BW9IJ5
-OEChem-04012114532D
61 63 0 0 0 0 0 0 0999 V2000
5.5900 2.4066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.2651 -2.2313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.6010 -0.7480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2358 1.3267 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.8231 -1.3306 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.2246 -1.8899 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.1369 -0.7346 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
12.8613 -2.7413 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6123 2.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8705 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8481 0.6939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2246 1.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6235 1.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8816 0.2467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4142 -0.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8231 0.9164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6049 0.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6049 -0.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8481 -1.1081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.7413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5163 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4988 0.8275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4988 -1.2418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4049 -0.7279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4049 0.3137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2690 -1.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0010 -1.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.8690 -0.7413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.9972 -2.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.7331 -1.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.7292 -2.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.4651 -1.2513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1568 2.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4149 2.6962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8550 -0.2240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4782 0.2729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0790 1.6629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8210 1.3717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8971 0.8665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2739 0.3696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9295 0.1795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9295 -0.5937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9610 1.5208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4847 3.1278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6134 3.2260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5153 2.3547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9392 -0.4576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2898 -1.2613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0934 -0.9107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4917 1.4475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4917 -1.8617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9406 0.6258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6116 -1.7975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4512 -2.4671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1393 -0.1146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.8714 -0.1213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4590 -2.5459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.2649 -2.5567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
15.1530 -1.7870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
16.0008 -1.5634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
15.7772 -0.7156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 12 2 0 0 0 0
2 26 2 0 0 0 0
3 30 1 0 0 0 0
3 32 1 0 0 0 0
4 9 1 0 0 0 0
4 10 1 0 0 0 0
4 12 1 0 0 0 0
5 18 1 0 0 0 0
5 19 2 0 0 0 0
6 19 1 0 0 0 0
6 53 1 0 0 0 0
6 54 1 0 0 0 0
7 26 1 0 0 0 0
7 27 1 0 0 0 0
7 55 1 0 0 0 0
8 29 2 0 0 0 0
8 31 1 0 0 0 0
9 13 1 0 0 0 0
9 33 1 0 0 0 0
9 34 1 0 0 0 0
10 14 1 0 0 0 0
10 35 1 0 0 0 0
10 36 1 0 0 0 0
11 12 1 0 0 0 0
11 15 1 0 0 0 0
11 16 2 0 0 0 0
13 20 1 0 0 0 0
13 37 1 0 0 0 0
13 38 1 0 0 0 0
14 21 1 0 0 0 0
14 39 1 0 0 0 0
14 40 1 0 0 0 0
15 19 1 0 0 0 0
15 41 1 0 0 0 0
15 42 1 0 0 0 0
16 17 1 0 0 0 0
16 43 1 0 0 0 0
17 18 2 0 0 0 0
17 22 1 0 0 0 0
18 23 1 0 0 0 0
20 44 1 0 0 0 0
20 45 1 0 0 0 0
20 46 1 0 0 0 0
21 47 1 0 0 0 0
21 48 1 0 0 0 0
21 49 1 0 0 0 0
22 25 2 0 0 0 0
22 50 1 0 0 0 0
23 24 2 0 0 0 0
23 51 1 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
25 52 1 0 0 0 0
27 28 2 0 0 0 0
27 29 1 0 0 0 0
28 30 1 0 0 0 0
28 56 1 0 0 0 0
29 57 1 0 0 0 0
30 31 2 0 0 0 0
31 58 1 0 0 0 0
32 59 1 0 0 0 0
32 60 1 0 0 0 0
32 61 1 0 0 0 0
M END
$$$$