BH43EZ
-OEChem-04022117313D
49 52 0 1 0 0 0 0 0999 V2000
-0.8649 -3.0251 1.2153 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0576 1.4220 0.0934 N 0 0 2 0 0 0 0 0 0 0 0 0
0.4770 -1.1402 0.6806 N 0 0 0 0 0 0 0 0 0 0 0 0
0.7858 4.6142 -1.3970 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1746 -3.1892 0.0168 N 0 0 0 0 0 0 0 0 0 0 0 0
3.2594 -2.4761 -1.0966 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.6742 0.1823 -1.3048 N 0 0 0 0 0 0 0 0 0 0 0 0
0.9076 3.5454 -0.4075 C 0 0 1 0 0 0 0 0 0 0 0 0
1.8386 2.4463 -0.9367 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4229 4.1167 0.9151 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5251 1.9014 1.4016 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6017 2.9949 1.9329 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4349 0.1291 -0.2898 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6919 -0.9946 -0.0029 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1278 -2.2482 -0.4139 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6191 -0.0622 -0.9985 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1267 -2.5193 0.7072 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2963 -0.0745 1.2638 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9810 -1.3606 -1.3723 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6881 -0.0184 0.7033 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2882 -4.6030 -0.2308 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9049 0.4962 -0.5750 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7642 -0.4809 1.4609 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1979 0.5481 -1.0956 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0570 -0.4287 0.9402 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2740 0.0855 -0.3381 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5985 0.1389 -0.8715 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0886 3.1180 -0.2385 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3865 1.9910 -1.8278 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8053 2.8703 -1.2391 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3823 4.6286 0.7640 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7212 4.8604 1.3118 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5523 1.0820 2.1306 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5485 2.2848 1.3044 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6221 2.5933 2.2095 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0307 3.4082 2.8534 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3939 4.2397 -2.2601 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1282 5.3178 -1.0635 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2659 0.7696 -1.2606 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3316 -0.2565 2.3447 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1319 0.9023 1.1234 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8997 -1.5357 -1.9239 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4303 -5.1276 0.1983 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3154 -4.7787 -1.3099 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2069 -4.9769 0.2300 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0748 0.8570 -1.1760 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6107 -0.8843 2.4583 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3508 0.9515 -2.0938 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8857 -0.7931 1.5428 H 0 0 0 0 0 0 0 0 0 0 0 0
1 17 2 0 0 0 0
2 9 1 0 0 0 0
2 11 1 0 0 0 0
2 13 1 0 0 0 0
3 14 1 0 0 0 0
3 17 1 0 0 0 0
3 18 1 0 0 0 0
4 8 1 0 0 0 0
4 37 1 0 0 0 0
4 38 1 0 0 0 0
5 15 1 0 0 0 0
5 17 1 0 0 0 0
5 21 1 0 0 0 0
6 15 2 0 0 0 0
6 19 1 0 0 0 0
7 27 3 0 0 0 0
8 9 1 0 0 0 0
8 10 1 0 0 0 0
8 28 1 0 0 0 0
9 29 1 0 0 0 0
9 30 1 0 0 0 0
10 12 1 0 0 0 0
10 31 1 0 0 0 0
10 32 1 0 0 0 0
11 12 1 0 0 0 0
11 33 1 0 0 0 0
11 34 1 0 0 0 0
12 35 1 0 0 0 0
12 36 1 0 0 0 0
13 14 2 0 0 0 0
13 16 1 0 0 0 0
14 15 1 0 0 0 0
16 19 2 0 0 0 0
16 39 1 0 0 0 0
18 20 1 0 0 0 0
18 40 1 0 0 0 0
18 41 1 0 0 0 0
19 42 1 0 0 0 0
20 22 2 0 0 0 0
20 23 1 0 0 0 0
21 43 1 0 0 0 0
21 44 1 0 0 0 0
21 45 1 0 0 0 0
22 24 1 0 0 0 0
22 46 1 0 0 0 0
23 25 2 0 0 0 0
23 47 1 0 0 0 0
24 26 2 0 0 0 0
24 48 1 0 0 0 0
25 26 1 0 0 0 0
25 49 1 0 0 0 0
26 27 1 0 0 0 0
M END
$$$$