B2RKJ5
-OEChem-04022113403D
50 53 0 1 0 0 0 0 0999 V2000
-5.1960 -0.1820 2.3285 F 0 0 0 0 0 0 0 0 0 0 0 0
-4.6390 -3.2721 -2.1500 F 0 0 0 0 0 0 0 0 0 0 0 0
8.0839 -1.3722 -1.5587 F 0 0 0 0 0 0 0 0 0 0 0 0
-1.4595 2.2761 -2.0100 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0982 1.7977 -0.1848 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3079 0.5926 0.5067 N 0 0 0 0 0 0 0 0 0 0 0 0
1.7719 0.1173 2.5653 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0406 -0.3749 2.3106 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.0889 3.2661 -0.9325 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1306 2.2143 -0.8782 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1766 1.1059 -0.8366 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0488 1.3943 1.2278 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3401 0.6994 1.4652 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5572 1.6493 -0.0037 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8405 1.8228 -0.8171 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.3290 1.9396 -0.8306 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3430 -0.0771 1.0657 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0758 1.1659 -0.1629 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5706 -0.4132 0.3870 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9936 -0.3355 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7896 0.0550 0.8775 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5385 -1.2055 -0.7606 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0594 -0.9331 1.2265 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8514 -1.1256 -1.1726 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7754 -2.5134 -1.0547 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9832 -2.3209 1.3447 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9765 -0.2690 0.2205 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7254 -1.5294 -1.4178 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8411 -3.1110 0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9443 -1.0613 -0.9273 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9235 2.4940 -1.9158 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4962 3.1116 -0.3634 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1449 1.4866 -1.1749 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8713 0.2649 -1.4689 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7710 0.7441 1.5393 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0037 2.3096 1.8282 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4819 0.6054 0.3182 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5626 2.2822 0.8918 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7195 1.4152 -1.8277 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9744 1.3947 -0.7529 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2460 1.6201 0.8224 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9242 3.4248 -1.4947 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3203 3.7099 -1.4334 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8320 0.6748 1.7700 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6005 -1.5895 -1.1540 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8075 -0.6772 -2.1610 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0343 -2.7859 2.3247 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9258 0.0955 0.6017 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7012 -2.1479 -2.3101 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7817 -4.1915 0.2956 H 0 0 0 0 0 0 0 0 0 0 0 0
1 23 1 0 0 0 0
2 25 1 0 0 0 0
3 30 1 0 0 0 0
4 16 2 0 0 0 0
5 10 1 0 0 0 0
5 12 1 0 0 0 0
5 16 1 0 0 0 0
6 11 1 0 0 0 0
6 13 1 0 0 0 0
6 17 1 0 0 0 0
7 8 1 0 0 0 0
7 13 2 0 0 0 0
8 17 2 0 0 0 0
9 15 1 0 0 0 0
9 42 1 0 0 0 0
9 43 1 0 0 0 0
10 11 1 0 0 0 0
10 31 1 0 0 0 0
10 32 1 0 0 0 0
11 33 1 0 0 0 0
11 34 1 0 0 0 0
12 13 1 0 0 0 0
12 35 1 0 0 0 0
12 36 1 0 0 0 0
14 15 1 0 0 0 0
14 16 1 0 0 0 0
14 37 1 0 0 0 0
14 38 1 0 0 0 0
15 18 1 0 0 0 0
15 39 1 0 0 0 0
17 19 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 21 2 0 0 0 0
19 22 1 0 0 0 0
20 23 2 0 0 0 0
20 24 1 0 0 0 0
21 27 1 0 0 0 0
21 44 1 0 0 0 0
22 28 2 0 0 0 0
22 45 1 0 0 0 0
23 26 1 0 0 0 0
24 25 2 0 0 0 0
24 46 1 0 0 0 0
25 29 1 0 0 0 0
26 29 2 0 0 0 0
26 47 1 0 0 0 0
27 30 2 0 0 0 0
27 48 1 0 0 0 0
28 30 1 0 0 0 0
28 49 1 0 0 0 0
29 50 1 0 0 0 0
M END
$$$$