BU0S5T
-OEChem-04022102303D
29 30 0 0 0 0 0 0 0999 V2000
2.8528 2.5958 0.9830 I 0 0 0 0 0 0 0 0 0 0 0 0
-0.2945 1.5556 -2.0235 S 0 0 0 0 0 0 0 0 0 0 0 0
-4.3838 -0.7820 0.5350 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0494 0.9707 1.5075 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9102 0.0487 -0.4777 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.0013 -1.1717 0.3119 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1428 0.4830 -1.1203 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1888 -1.0906 1.2611 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2824 0.4921 -0.1107 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7311 0.6829 -0.6846 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2717 0.5364 0.4091 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5960 -0.0823 0.1565 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7962 0.6044 0.3386 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6096 -1.4068 -0.2806 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0103 -0.0334 0.0837 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8236 -2.0447 -0.5356 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0240 -1.3581 -0.3534 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0957 -1.3981 0.8754 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1564 -1.9871 -0.4051 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3531 -0.2392 -1.9181 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0516 1.4763 -1.5677 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3386 -2.0528 1.7605 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0310 -0.3304 2.0354 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1371 1.2693 0.6491 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2327 0.6902 -0.6160 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6911 -1.9634 -0.4381 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9590 0.4805 0.2170 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8344 -3.0754 -0.8777 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9691 -1.8548 -0.5527 H 0 0 0 0 0 0 0 0 0 0 0 0
1 13 1 0 0 0 0
2 10 2 0 0 0 0
3 8 1 0 0 0 0
3 9 1 0 0 0 0
4 11 2 0 0 0 0
5 6 1 0 0 0 0
5 7 1 0 0 0 0
5 10 1 0 0 0 0
6 8 1 0 0 0 0
6 18 1 0 0 0 0
6 19 1 0 0 0 0
7 9 1 0 0 0 0
7 20 1 0 0 0 0
7 21 1 0 0 0 0
8 22 1 0 0 0 0
8 23 1 0 0 0 0
9 24 1 0 0 0 0
9 25 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
12 14 2 0 0 0 0
13 15 2 0 0 0 0
14 16 1 0 0 0 0
14 26 1 0 0 0 0
15 17 1 0 0 0 0
15 27 1 0 0 0 0
16 17 2 0 0 0 0
16 28 1 0 0 0 0
17 29 1 0 0 0 0
M END
$$$$