BKD8E4
-OEChem-04012112462D
40 42 0 0 0 0 0 0 0999 V2000
3.8968 -2.9234 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.2212 4.2334 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.8366 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
3.6180 4.0122 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
7.0238 -0.9100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8968 -2.9234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8968 -2.9234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8968 1.0766 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.3968 2.6154 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.3511 1.7154 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8968 -3.9234 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8968 0.0766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7058 1.6644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0878 1.6644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3968 2.6154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6569 1.3553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7628 -0.4234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0308 -0.4234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8968 -1.9234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7628 -1.4234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0308 -1.4234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8090 3.4244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8648 0.3772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4000 2.0245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8158 0.0682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5590 0.7373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9748 -1.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4981 1.4728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2998 -0.1134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4938 -0.1134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2998 -1.7334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4938 -1.7334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4040 -0.0377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2711 2.6309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1486 0.5457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3599 -4.2334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4337 -4.2334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7832 -1.8086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5645 -1.4106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1664 -0.6293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 6 2 0 0 0 0
1 7 2 0 0 0 0
1 11 1 0 0 0 0
1 19 1 0 0 0 0
2 22 1 0 0 0 0
3 22 1 0 0 0 0
4 22 1 0 0 0 0
5 25 1 0 0 0 0
5 27 1 0 0 0 0
8 12 1 0 0 0 0
8 13 1 0 0 0 0
8 14 1 0 0 0 0
9 13 2 0 0 0 0
9 15 1 0 0 0 0
10 24 2 0 0 0 0
10 26 1 0 0 0 0
11 36 1 0 0 0 0
11 37 1 0 0 0 0
12 17 2 0 0 0 0
12 18 1 0 0 0 0
13 16 1 0 0 0 0
14 15 2 0 0 0 0
14 28 1 0 0 0 0
15 22 1 0 0 0 0
16 23 2 0 0 0 0
16 24 1 0 0 0 0
17 20 1 0 0 0 0
17 29 1 0 0 0 0
18 21 2 0 0 0 0
18 30 1 0 0 0 0
19 20 2 0 0 0 0
19 21 1 0 0 0 0
20 31 1 0 0 0 0
21 32 1 0 0 0 0
23 25 1 0 0 0 0
23 33 1 0 0 0 0
24 34 1 0 0 0 0
25 26 2 0 0 0 0
26 35 1 0 0 0 0
27 38 1 0 0 0 0
27 39 1 0 0 0 0
27 40 1 0 0 0 0
M END
$$$$