BLS90I
-OEChem-04042106033D
55 58 0 1 0 0 0 0 0999 V2000
6.1598 1.3987 -0.7042 F 0 0 0 0 0 0 0 0 0 0 0 0
6.2882 0.5172 1.2733 F 0 0 0 0 0 0 0 0 0 0 0 0
7.6122 -0.1703 -0.3085 F 0 0 0 0 0 0 0 0 0 0 0 0
-2.2516 2.5019 -0.9794 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.8029 -0.7855 -0.8980 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5245 -2.3667 2.4190 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4966 -1.9461 1.4826 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5076 1.7363 0.3028 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.5389 0.5730 0.3015 N 0 0 0 0 0 0 0 0 0 0 0 0
1.7694 2.3630 0.3706 C 0 0 1 0 0 0 0 0 0 0 0 0
1.4877 1.4609 1.5744 C 0 0 2 0 0 0 0 0 0 0 0 0
2.5147 1.4461 -0.5976 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6505 0.4681 1.6384 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4463 0.6552 0.3297 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3962 2.8046 -0.1017 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1386 0.8183 1.2404 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9658 -0.6267 -0.2749 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8180 1.6632 -0.1874 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3335 -0.8325 -0.4555 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0559 -1.6133 -0.6553 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7914 -2.0246 -1.0164 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3265 0.2090 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5139 -2.8056 -1.2160 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8816 -3.0112 -1.3969 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8769 0.2130 0.0071 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4596 -0.9167 0.5817 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6134 1.0070 -0.8720 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7789 -1.2522 0.2772 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9326 0.6713 -1.1766 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5154 -0.4583 -0.6019 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7170 -1.7677 1.5031 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.4982 0.0704 -1.8036 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4030 3.2174 0.6351 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4013 2.0471 2.4966 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0754 2.0174 -1.3456 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8194 0.7992 -1.1451 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2976 -0.5559 1.8014 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3015 0.7052 2.4893 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2626 1.3392 0.5793 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3367 2.9799 -1.1803 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0732 3.7132 0.4189 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4783 0.6981 2.1367 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2335 -0.1546 0.7468 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9864 -1.4780 -0.5213 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0588 -0.0487 0.9420 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8518 -2.2073 -1.1668 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8056 -3.5742 -1.5114 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2378 -3.9396 -1.8336 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2455 1.8961 -1.3613 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2529 -2.1345 0.7008 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4486 1.3304 -1.8667 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0176 -2.9375 3.0350 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5066 -0.3386 -1.9250 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0322 0.0712 -2.7948 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6102 1.0811 -1.3965 H 0 0 0 0 0 0 0 0 0 0 0 0
1 22 1 0 0 0 0
2 22 1 0 0 0 0
3 22 1 0 0 0 0
4 18 2 0 0 0 0
5 30 1 0 0 0 0
5 32 1 0 0 0 0
6 31 1 0 0 0 0
6 52 1 0 0 0 0
7 31 2 0 0 0 0
8 15 1 0 0 0 0
8 16 1 0 0 0 0
8 18 1 0 0 0 0
9 18 1 0 0 0 0
9 25 1 0 0 0 0
9 45 1 0 0 0 0
10 11 1 0 0 0 0
10 12 1 0 0 0 0
10 15 1 0 0 0 0
10 33 1 0 0 0 0
11 13 1 0 0 0 0
11 16 1 0 0 0 0
11 34 1 0 0 0 0
12 14 1 0 0 0 0
12 35 1 0 0 0 0
12 36 1 0 0 0 0
13 14 1 0 0 0 0
13 37 1 0 0 0 0
13 38 1 0 0 0 0
14 17 1 0 0 0 0
14 39 1 0 0 0 0
15 40 1 0 0 0 0
15 41 1 0 0 0 0
16 42 1 0 0 0 0
16 43 1 0 0 0 0
17 19 1 0 0 0 0
17 20 2 0 0 0 0
19 21 2 0 0 0 0
19 22 1 0 0 0 0
20 23 1 0 0 0 0
20 44 1 0 0 0 0
21 24 1 0 0 0 0
21 46 1 0 0 0 0
23 24 2 0 0 0 0
23 47 1 0 0 0 0
24 48 1 0 0 0 0
25 26 2 0 0 0 0
25 27 1 0 0 0 0
26 28 1 0 0 0 0
26 31 1 0 0 0 0
27 29 2 0 0 0 0
27 49 1 0 0 0 0
28 30 2 0 0 0 0
28 50 1 0 0 0 0
29 30 1 0 0 0 0
29 51 1 0 0 0 0
32 53 1 0 0 0 0
32 54 1 0 0 0 0
32 55 1 0 0 0 0
M END
$$$$