B4AKG9
-OEChem-04012114243D
57 61 0 0 0 0 0 0 0999 V2000
1.5460 0.3720 -0.8711 S 0 0 0 0 0 0 0 0 0 0 0 0
8.0974 0.0750 2.6933 F 0 0 0 0 0 0 0 0 0 0 0 0
-4.3617 1.3662 2.0196 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2990 3.8108 -1.3584 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0878 -3.6389 -2.7864 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9859 -3.3287 -0.5345 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4584 -0.1095 0.1979 N 0 0 0 0 0 0 0 0 0 0 0 0
4.0284 -0.7426 -0.8110 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6370 0.7119 0.8233 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.9593 -0.5809 -1.1135 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9194 -1.6671 -1.6101 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8113 -1.8606 -0.4276 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5360 -0.9349 0.5809 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9627 0.9596 0.9318 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8300 -2.7912 -0.2923 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2778 -0.9233 1.7529 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8436 1.7033 0.3339 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5788 -2.7892 0.8845 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3045 -1.8614 1.8991 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4734 2.0194 0.0341 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5348 1.3137 0.6009 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1017 2.7911 -0.4940 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9269 1.5921 0.3264 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1814 -0.7062 -0.0694 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7262 3.1108 -0.7967 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1694 0.1155 -0.2251 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9119 0.2088 0.9445 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0403 3.4967 -1.0608 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8223 -1.5606 -1.9871 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3997 -1.3747 -0.1949 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9053 0.4856 1.8990 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3771 -1.0872 0.7637 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1363 -0.1739 1.7928 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2582 -2.9139 -1.6511 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0500 4.9122 -2.1945 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9481 -0.9793 -0.9699 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8993 0.2553 -1.8177 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4950 -1.3155 -2.4723 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3821 -2.5826 -1.8745 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0468 -3.5033 -1.0813 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0901 -0.2234 2.5577 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3822 -3.5087 1.0157 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8975 -1.8722 2.8099 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3432 0.4609 1.2481 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1227 3.0981 -0.7051 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9733 1.1573 1.3326 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5943 2.4617 0.3430 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3133 4.3326 -1.6956 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1544 -1.0370 -2.6763 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7880 -1.6874 -2.4871 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5914 -2.0870 -0.9891 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7283 1.1933 2.7024 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3418 -1.5850 0.7067 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5734 5.6947 -1.6346 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6082 4.5868 -3.0791 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8860 5.3520 -2.5545 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7214 -4.5296 -2.5998 H 0 0 0 0 0 0 0 0 0 0 0 0
1 23 1 0 0 0 0
1 26 1 0 0 0 0
2 33 1 0 0 0 0
3 14 2 0 0 0 0
4 25 1 0 0 0 0
4 35 1 0 0 0 0
5 34 1 0 0 0 0
5 57 1 0 0 0 0
6 34 2 0 0 0 0
7 10 1 0 0 0 0
7 13 1 0 0 0 0
7 14 1 0 0 0 0
8 24 1 0 0 0 0
8 26 1 0 0 0 0
8 29 1 0 0 0 0
9 26 2 0 0 0 0
9 27 1 0 0 0 0
10 11 1 0 0 0 0
10 36 1 0 0 0 0
10 37 1 0 0 0 0
11 12 1 0 0 0 0
11 38 1 0 0 0 0
11 39 1 0 0 0 0
12 13 1 0 0 0 0
12 15 2 0 0 0 0
13 16 2 0 0 0 0
14 17 1 0 0 0 0
15 18 1 0 0 0 0
15 40 1 0 0 0 0
16 19 1 0 0 0 0
16 41 1 0 0 0 0
17 21 2 0 0 0 0
17 22 1 0 0 0 0
18 19 2 0 0 0 0
18 42 1 0 0 0 0
19 43 1 0 0 0 0
20 21 1 0 0 0 0
20 23 1 0 0 0 0
20 25 2 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 46 1 0 0 0 0
23 47 1 0 0 0 0
24 27 2 0 0 0 0
24 30 1 0 0 0 0
25 28 1 0 0 0 0
27 31 1 0 0 0 0
28 48 1 0 0 0 0
29 34 1 0 0 0 0
29 49 1 0 0 0 0
29 50 1 0 0 0 0
30 32 2 0 0 0 0
30 51 1 0 0 0 0
31 33 2 0 0 0 0
31 52 1 0 0 0 0
32 33 1 0 0 0 0
32 53 1 0 0 0 0
35 54 1 0 0 0 0
35 55 1 0 0 0 0
35 56 1 0 0 0 0
M END
$$$$