BXU15A
-OEChem-04022102272D
59 60 0 1 0 0 0 0 0999 V2000
5.7122 10.2688 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
8.0782 6.4636 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
7.7122 5.0975 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
9.0782 4.7315 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
1.4030 10.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4030 1.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.3103 5.5975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.4443 7.0975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1350 10.0369 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.1350 8.0369 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.0486 9.6302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2395 11.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7177 10.3733 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.2177 11.2394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2690 8.5369 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.4030 8.0369 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.2690 9.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4030 7.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5369 8.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5369 6.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2690 6.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5369 5.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2690 5.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4030 5.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4030 4.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2690 3.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5369 3.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2690 2.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5369 2.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4030 2.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5369 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5782 5.5975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4443 6.0975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7386 9.0933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5502 9.2658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1747 11.6481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6195 11.0315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0554 10.8933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7841 11.4915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0261 11.8290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2690 7.9169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8660 7.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8469 9.0739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 8.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2269 8.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6720 8.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1350 7.4169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 6.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8059 6.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 5.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8059 5.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8059 3.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 3.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8059 2.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 2.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2269 1.0739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8469 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8472 5.9075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13 1 1 6 0 0 0
2 32 1 0 0 0 0
3 32 1 0 0 0 0
4 32 1 0 0 0 0
5 17 2 0 0 0 0
6 30 1 0 0 0 0
6 31 1 0 0 0 0
7 33 1 0 0 0 0
7 59 1 0 0 0 0
8 33 2 0 0 0 0
9 11 1 0 0 0 0
9 12 1 0 0 0 0
9 17 1 0 0 0 0
15 10 1 1 0 0 0
10 46 1 0 0 0 0
10 47 1 0 0 0 0
11 13 1 0 0 0 0
11 34 1 0 0 0 0
11 35 1 0 0 0 0
12 14 1 0 0 0 0
12 36 1 0 0 0 0
12 37 1 0 0 0 0
13 14 1 0 0 0 0
13 38 1 0 0 0 0
14 39 1 0 0 0 0
14 40 1 0 0 0 0
15 16 1 0 0 0 0
15 17 1 0 0 0 0
15 41 1 0 0 0 0
16 18 1 0 0 0 0
16 19 1 6 0 0 0
16 42 1 0 0 0 0
18 20 2 0 0 0 0
18 21 1 0 0 0 0
19 43 1 0 0 0 0
19 44 1 0 0 0 0
19 45 1 0 0 0 0
20 22 1 0 0 0 0
20 48 1 0 0 0 0
21 23 2 0 0 0 0
21 49 1 0 0 0 0
22 24 2 0 0 0 0
22 50 1 0 0 0 0
23 24 1 0 0 0 0
23 51 1 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
25 27 1 0 0 0 0
26 28 1 0 0 0 0
26 52 1 0 0 0 0
27 29 2 0 0 0 0
27 53 1 0 0 0 0
28 30 2 0 0 0 0
28 54 1 0 0 0 0
29 30 1 0 0 0 0
29 55 1 0 0 0 0
31 56 1 0 0 0 0
31 57 1 0 0 0 0
31 58 1 0 0 0 0
32 33 1 0 0 0 0
M END
$$$$