BD25RC
-OEChem-04022110053D
56 59 0 0 0 0 0 0 0999 V2000
-0.6995 -1.3563 -0.0633 S 0 0 0 0 0 0 0 0 0 0 0 0
6.1527 -2.6582 -0.1613 S 0 0 0 0 0 0 0 0 0 0 0 0
3.6950 5.3522 0.2110 F 0 0 0 0 0 0 0 0 0 0 0 0
6.1525 -3.9029 0.5955 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6075 -2.6537 -1.5444 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1407 1.1883 0.0508 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.4392 -0.8194 -0.0109 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9178 -0.5969 -0.0075 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9105 -1.2074 1.4073 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7960 -1.9560 -0.9932 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.2520 0.4241 -0.4376 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0619 -1.6365 0.3566 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3934 0.6441 -0.3688 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1573 -0.1940 -0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6818 -1.4350 0.3593 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0131 0.8456 -0.3659 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7301 0.0143 0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6569 -0.3075 -0.0249 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2278 1.0017 0.0358 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9841 -0.8743 -0.0573 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1228 2.1248 0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5483 -1.9710 -0.1206 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8573 -0.5469 -1.0947 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3931 -1.7500 0.9484 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1394 -1.0952 -1.1264 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6752 -2.2984 0.9167 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0354 2.2476 1.1287 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0794 3.0922 -0.9230 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1528 -1.5009 0.7467 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9043 3.3377 1.1728 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9482 4.1824 -0.8790 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8607 4.3052 0.1688 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.9986 -1.3374 1.4404 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4656 -2.1482 1.7495 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6448 -0.4332 2.1369 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8802 -2.1117 -1.0408 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4475 -1.7253 -2.0069 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3483 -2.9123 -0.7014 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3282 0.2120 -0.4231 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0876 1.2706 0.2394 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0062 0.7413 -1.4578 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4450 -2.6104 0.6473 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0124 1.4851 -0.6605 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0741 -2.2762 0.6785 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6273 1.8205 -0.6542 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5560 0.1288 -1.8916 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7346 -2.0108 1.7736 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8044 -0.8219 -1.9408 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9762 -2.9714 1.7146 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0799 1.5122 1.9285 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3757 3.0109 -1.7480 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1794 -1.8734 0.7546 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1131 -0.5304 0.2485 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7746 -1.4293 1.7682 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6134 3.4349 1.9895 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9150 4.9356 -1.6606 H 0 0 0 0 0 0 0 0 0 0 0 0
1 17 1 0 0 0 0
1 18 1 0 0 0 0
2 4 2 0 0 0 0
2 5 2 0 0 0 0
2 22 1 0 0 0 0
2 29 1 0 0 0 0
3 32 1 0 0 0 0
6 17 2 0 0 0 0
6 19 1 0 0 0 0
7 8 1 0 0 0 0
7 9 1 0 0 0 0
7 10 1 0 0 0 0
7 11 1 0 0 0 0
8 12 2 0 0 0 0
8 13 1 0 0 0 0
9 33 1 0 0 0 0
9 34 1 0 0 0 0
9 35 1 0 0 0 0
10 36 1 0 0 0 0
10 37 1 0 0 0 0
10 38 1 0 0 0 0
11 39 1 0 0 0 0
11 40 1 0 0 0 0
11 41 1 0 0 0 0
12 15 1 0 0 0 0
12 42 1 0 0 0 0
13 16 2 0 0 0 0
13 43 1 0 0 0 0
14 15 2 0 0 0 0
14 16 1 0 0 0 0
14 17 1 0 0 0 0
15 44 1 0 0 0 0
16 45 1 0 0 0 0
18 19 2 0 0 0 0
18 20 1 0 0 0 0
19 21 1 0 0 0 0
20 23 2 0 0 0 0
20 24 1 0 0 0 0
21 27 2 0 0 0 0
21 28 1 0 0 0 0
22 25 2 0 0 0 0
22 26 1 0 0 0 0
23 25 1 0 0 0 0
23 46 1 0 0 0 0
24 26 2 0 0 0 0
24 47 1 0 0 0 0
25 48 1 0 0 0 0
26 49 1 0 0 0 0
27 30 1 0 0 0 0
27 50 1 0 0 0 0
28 31 2 0 0 0 0
28 51 1 0 0 0 0
29 52 1 0 0 0 0
29 53 1 0 0 0 0
29 54 1 0 0 0 0
30 32 2 0 0 0 0
30 55 1 0 0 0 0
31 32 1 0 0 0 0
31 56 1 0 0 0 0
M END
$$$$