B2R3UD
-OEChem-04022114063D
43 45 0 0 0 0 0 0 0999 V2000
-6.2435 1.9135 0.0930 S 0 0 0 0 0 0 0 0 0 0 0 0
1.8566 -4.3970 -0.0944 F 0 0 0 0 0 0 0 0 0 0 0 0
-0.0106 -4.5559 1.0083 F 0 0 0 0 0 0 0 0 0 0 0 0
-0.0349 -4.5180 -1.1601 F 0 0 0 0 0 0 0 0 0 0 0 0
-6.9879 1.3546 1.2126 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.0895 3.3567 -0.0247 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6115 0.4689 -0.0167 N 0 0 0 0 0 0 0 0 0 0 0 0
0.2402 0.2554 0.0027 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.7668 -1.9338 -0.0231 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.9037 1.3118 -1.3635 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.1237 0.0172 0.0232 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9307 -0.0748 -0.0372 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8097 -0.5880 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4500 -0.3415 -0.0205 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6575 1.1834 0.0663 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9549 1.0250 0.0094 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1890 -0.6513 0.6265 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3253 1.2689 -0.5583 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4558 -0.0684 0.6480 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5922 1.8520 -0.5369 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4738 -2.4636 -0.0454 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6295 -1.7095 -0.0453 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4321 1.5849 -1.1758 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4281 1.4854 1.2381 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5666 -3.9523 -0.0722 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3824 2.6051 -1.1322 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3782 2.5057 1.2817 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8555 3.0655 0.0965 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0989 -0.6711 -0.9435 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1005 -0.7388 0.8205 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4589 1.4711 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0619 -1.6241 1.0953 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5179 1.8100 -1.0459 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2722 -0.6086 1.1192 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7287 2.8236 -1.0035 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5966 -2.1932 -0.0654 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0700 1.2364 -2.1394 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0630 1.0589 2.1687 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7536 3.0415 -2.0550 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7462 2.8646 2.2385 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5951 3.8599 0.1305 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6464 0.6053 -1.2943 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0307 1.9737 -2.1388 H 0 0 0 0 0 0 0 0 0 0 0 0
1 5 2 0 0 0 0
1 6 2 0 0 0 0
1 10 1 0 0 0 0
1 15 1 0 0 0 0
2 25 1 0 0 0 0
3 25 1 0 0 0 0
4 25 1 0 0 0 0
7 12 1 0 0 0 0
7 14 1 0 0 0 0
7 31 1 0 0 0 0
8 13 1 0 0 0 0
8 14 2 0 0 0 0
9 13 2 0 0 0 0
9 21 1 0 0 0 0
10 42 1 0 0 0 0
10 43 1 0 0 0 0
11 13 1 0 0 0 0
11 17 2 0 0 0 0
11 18 1 0 0 0 0
12 16 1 0 0 0 0
12 29 1 0 0 0 0
12 30 1 0 0 0 0
14 22 1 0 0 0 0
15 19 2 0 0 0 0
15 20 1 0 0 0 0
16 23 2 0 0 0 0
16 24 1 0 0 0 0
17 19 1 0 0 0 0
17 32 1 0 0 0 0
18 20 2 0 0 0 0
18 33 1 0 0 0 0
19 34 1 0 0 0 0
20 35 1 0 0 0 0
21 22 2 0 0 0 0
21 25 1 0 0 0 0
22 36 1 0 0 0 0
23 26 1 0 0 0 0
23 37 1 0 0 0 0
24 27 2 0 0 0 0
24 38 1 0 0 0 0
26 28 2 0 0 0 0
26 39 1 0 0 0 0
27 28 1 0 0 0 0
27 40 1 0 0 0 0
28 41 1 0 0 0 0
M END
$$$$