BE41BL
-OEChem-04012112482D
43 45 0 0 0 0 0 0 0999 V2000
3.8968 -2.8284 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.2212 4.3284 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
3.6180 4.1072 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.9316 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
8.5100 0.5233 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.8968 -2.8284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8968 -2.8284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8968 1.1716 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8968 -3.8284 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0878 1.7594 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8968 0.1716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7058 1.7594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8968 -1.8284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7628 -0.3284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0308 -0.3284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7628 -1.3284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0308 -1.3284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6569 1.4503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3968 2.7104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3968 2.7104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4000 2.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8648 0.4722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0308 -4.3284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7628 -4.3284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8090 3.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3511 1.8104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8158 0.1632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5590 0.8323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2998 -0.0184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4938 -0.0184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2998 -1.6384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4938 -1.6384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7612 3.2120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2711 2.7259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4040 0.0573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7208 -3.7915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4938 -4.6384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3408 -4.8654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4528 -4.8654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2998 -4.6384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0728 -3.7915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8118 2.2253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9448 -0.4433 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 9 1 0 0 0 0
1 13 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
5 28 1 0 0 0 0
8 10 1 0 0 0 0
8 11 1 0 0 0 0
8 12 1 0 0 0 0
9 23 1 0 0 0 0
9 24 1 0 0 0 0
10 20 2 0 0 0 0
11 14 2 0 0 0 0
11 15 1 0 0 0 0
12 18 1 0 0 0 0
12 19 2 0 0 0 0
13 16 2 0 0 0 0
13 17 1 0 0 0 0
14 16 1 0 0 0 0
14 29 1 0 0 0 0
15 17 2 0 0 0 0
15 30 1 0 0 0 0
16 31 1 0 0 0 0
17 32 1 0 0 0 0
18 21 2 0 0 0 0
18 22 1 0 0 0 0
19 20 1 0 0 0 0
19 33 1 0 0 0 0
20 25 1 0 0 0 0
21 26 1 0 0 0 0
21 34 1 0 0 0 0
22 27 2 0 0 0 0
22 35 1 0 0 0 0
23 36 1 0 0 0 0
23 37 1 0 0 0 0
23 38 1 0 0 0 0
24 39 1 0 0 0 0
24 40 1 0 0 0 0
24 41 1 0 0 0 0
26 28 2 0 0 0 0
26 42 1 0 0 0 0
27 28 1 0 0 0 0
27 43 1 0 0 0 0
M END
$$$$