B8V2LE
-OEChem-04012113042D
41 43 0 0 0 0 0 0 0999 V2000
2.9511 -0.2937 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
9.2399 3.5114 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
7.8431 3.2902 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
9.4611 2.1146 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
9.2964 -2.6454 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
4.9662 -3.1454 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
6.3322 -3.5114 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
5.3322 -1.7794 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.6420 0.6573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2601 -1.2448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7553 0.9424 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.3733 0.9424 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.5643 0.3546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8042 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5643 -0.6454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0643 1.8934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0643 1.8934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9021 0.0153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5963 -0.3448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0611 1.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6453 -0.6538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1100 0.9935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6983 -1.1454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4303 -1.1454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6983 -2.1454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6521 2.7024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4303 -2.1454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5643 -2.6454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.6027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8322 -2.6454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6999 2.3950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0571 -0.7597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1900 1.9089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5164 -1.2603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6493 1.4083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1613 -0.8354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9673 -0.8354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5643 -3.2654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8084 -0.0131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4103 -0.7943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1916 -1.1924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 9 2 0 0 0 0
1 10 2 0 0 0 0
1 18 1 0 0 0 0
1 29 1 0 0 0 0
2 26 1 0 0 0 0
3 26 1 0 0 0 0
4 26 1 0 0 0 0
5 27 1 0 0 0 0
6 30 1 0 0 0 0
7 30 1 0 0 0 0
8 30 1 0 0 0 0
11 13 1 0 0 0 0
11 14 1 0 0 0 0
11 16 1 0 0 0 0
12 13 2 0 0 0 0
12 17 1 0 0 0 0
13 15 1 0 0 0 0
14 19 2 0 0 0 0
14 20 1 0 0 0 0
15 23 2 0 0 0 0
15 24 1 0 0 0 0
16 17 2 0 0 0 0
16 31 1 0 0 0 0
17 26 1 0 0 0 0
18 21 2 0 0 0 0
18 22 1 0 0 0 0
19 21 1 0 0 0 0
19 32 1 0 0 0 0
20 22 2 0 0 0 0
20 33 1 0 0 0 0
21 34 1 0 0 0 0
22 35 1 0 0 0 0
23 25 1 0 0 0 0
23 36 1 0 0 0 0
24 27 2 0 0 0 0
24 37 1 0 0 0 0
25 28 2 0 0 0 0
25 30 1 0 0 0 0
27 28 1 0 0 0 0
28 38 1 0 0 0 0
29 39 1 0 0 0 0
29 40 1 0 0 0 0
29 41 1 0 0 0 0
M END
$$$$