BU91HB
-OEChem-04012113043D
37 39 0 0 0 0 0 0 0999 V2000
4.9955 -1.0002 -0.0597 S 0 0 0 0 0 0 0 0 0 0 0 0
-4.2747 -3.1022 0.0947 F 0 0 0 0 0 0 0 0 0 0 0 0
-5.1220 -1.4099 1.1538 F 0 0 0 0 0 0 0 0 0 0 0 0
-5.1300 -1.4428 -1.0205 F 0 0 0 0 0 0 0 0 0 0 0 0
5.3713 -1.8562 -1.1760 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5671 0.3348 0.0516 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9069 -0.5707 0.0022 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.9567 0.3136 0.0085 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0091 4.4639 -0.1098 N 0 0 0 0 0 0 0 0 0 0 0 0
0.4719 -0.6710 -0.0123 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6683 0.5737 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2542 -0.8733 -0.0419 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7848 -1.6264 0.0342 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0844 -1.7770 -0.6013 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2503 0.3340 0.5620 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0362 -1.0562 0.0378 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4755 -1.8782 -0.6159 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6415 0.2329 0.5472 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0973 1.9034 -0.0458 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3432 -1.7298 0.0676 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3910 -1.8603 1.4460 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8101 2.5638 1.1406 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8349 2.5144 -1.2640 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2615 3.8333 1.0550 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2852 3.7862 -1.2419 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4726 -2.6617 0.0687 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5120 -2.5705 -1.0742 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8844 1.1193 1.1904 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9313 -2.7497 -1.0774 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2294 1.0037 1.0382 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9114 -2.8408 1.4312 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4758 -1.9774 1.4944 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0420 -1.2696 2.2950 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0186 2.1243 2.1112 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0462 2.0258 -2.2096 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0215 4.3960 1.9511 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0595 4.3097 -2.1652 H 0 0 0 0 0 0 0 0 0 0 0 0
1 5 2 0 0 0 0
1 6 2 0 0 0 0
1 12 1 0 0 0 0
1 21 1 0 0 0 0
2 20 1 0 0 0 0
3 20 1 0 0 0 0
4 20 1 0 0 0 0
7 10 1 0 0 0 0
7 11 1 0 0 0 0
7 13 1 0 0 0 0
8 11 2 0 0 0 0
8 16 1 0 0 0 0
9 24 2 0 0 0 0
9 25 1 0 0 0 0
10 14 2 0 0 0 0
10 15 1 0 0 0 0
11 19 1 0 0 0 0
12 17 2 0 0 0 0
12 18 1 0 0 0 0
13 16 2 0 0 0 0
13 26 1 0 0 0 0
14 17 1 0 0 0 0
14 27 1 0 0 0 0
15 18 2 0 0 0 0
15 28 1 0 0 0 0
16 20 1 0 0 0 0
17 29 1 0 0 0 0
18 30 1 0 0 0 0
19 22 2 0 0 0 0
19 23 1 0 0 0 0
21 31 1 0 0 0 0
21 32 1 0 0 0 0
21 33 1 0 0 0 0
22 24 1 0 0 0 0
22 34 1 0 0 0 0
23 25 2 0 0 0 0
23 35 1 0 0 0 0
24 36 1 0 0 0 0
25 37 1 0 0 0 0
M END
$$$$