B8V2LE
-OEChem-04012113233D
41 43 0 0 0 0 0 0 0999 V2000
4.9001 1.9993 -0.0255 S 0 0 0 0 0 0 0 0 0 0 0 0
-4.4254 3.6745 -0.6470 F 0 0 0 0 0 0 0 0 0 0 0 0
-5.2007 1.7668 -1.3279 F 0 0 0 0 0 0 0 0 0 0 0 0
-5.2314 2.2560 0.7906 F 0 0 0 0 0 0 0 0 0 0 0 0
0.0489 -2.9500 3.4567 F 0 0 0 0 0 0 0 0 0 0 0 0
-0.1233 -3.6759 -2.5091 F 0 0 0 0 0 0 0 0 0 0 0 0
1.5272 -4.4340 -1.3237 F 0 0 0 0 0 0 0 0 0 0 0 0
-0.4439 -5.3334 -1.1384 F 0 0 0 0 0 0 0 0 0 0 0 0
5.2322 3.0838 0.8874 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5207 0.6931 0.1478 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9820 1.3449 -0.0160 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.9862 0.4047 0.1590 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.6876 0.1988 0.2382 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4041 1.4992 -0.0183 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0715 -1.0675 0.5517 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8849 2.3382 -0.2720 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1147 1.7337 -0.1582 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1648 1.8060 -0.0224 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9578 2.7249 0.3275 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2127 0.4247 -0.3661 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3441 2.8792 0.3254 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5990 0.5789 -0.3681 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7460 -1.9573 -0.4718 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8028 -1.4026 1.8788 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1518 -3.1823 -0.1684 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4449 2.3369 -0.3317 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2087 -2.6277 2.1824 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1169 -3.5176 1.1587 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2812 2.5389 -1.6769 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1961 -4.1342 -1.2625 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6107 3.3539 -0.5238 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3513 3.5766 0.6221 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8822 -0.4854 -0.8209 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7630 3.8445 0.5955 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2197 -0.2549 -0.6854 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9749 -1.7032 -1.5052 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0505 -0.7200 2.6881 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5795 -4.4694 1.4053 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7663 3.4819 -1.8699 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3615 2.6841 -1.7452 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9633 1.7705 -2.3842 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
$$$$