LISM21
-OEChem-05022321252D
48 51 0 0 0 0 0 0 0999 V2000
10.0994 0.6388 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.4216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.8437 1.3066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.3551 -0.0290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7852 -3.0779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.0784 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.1424 0.2264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4530 1.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1424 -1.3831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7260 -0.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4315 1.3831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.4216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7852 1.9212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4530 -2.3336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7422 2.3336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0958 2.8717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0744 3.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7672 -0.1055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4315 -2.5398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.4216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3460 -0.5784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.0416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -2.1984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1785 1.7933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9272 -1.3884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3489 2.4615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6818 3.3332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2670 3.6672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3058 -0.5196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1813 -0.5670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2287 0.3086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3037 -3.1465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0382 -2.6677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5594 -1.9332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -1.3884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.0416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.1984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 0.2316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -1.3884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 3 2 0 0 0 0
1 4 2 0 0 0 0
1 12 1 0 0 0 0
1 22 1 0 0 0 0
2 16 1 0 0 0 0
2 24 1 0 0 0 0
5 18 2 0 0 0 0
6 8 1 0 0 0 0
6 10 1 0 0 0 0
6 14 1 0 0 0 0
7 8 2 0 0 0 0
7 9 1 0 0 0 0
7 11 1 0 0 0 0
8 13 1 0 0 0 0
9 12 1 0 0 0 0
9 15 2 0 0 0 0
10 11 2 0 0 0 0
10 18 1 0 0 0 0
11 30 1 0 0 0 0
12 19 2 0 0 0 0
13 16 2 0 0 0 0
13 31 1 0 0 0 0
14 17 2 0 0 0 0
14 32 1 0 0 0 0
15 20 1 0 0 0 0
15 33 1 0 0 0 0
16 17 1 0 0 0 0
17 34 1 0 0 0 0
18 23 1 0 0 0 0
19 21 1 0 0 0 0
19 35 1 0 0 0 0
20 21 2 0 0 0 0
20 36 1 0 0 0 0
21 37 1 0 0 0 0
22 38 1 0 0 0 0
22 39 1 0 0 0 0
22 40 1 0 0 0 0
23 41 1 0 0 0 0
23 42 1 0 0 0 0
23 43 1 0 0 0 0
24 25 2 0 0 0 0
24 26 1 0 0 0 0
25 27 1 0 0 0 0
25 44 1 0 0 0 0
26 28 2 0 0 0 0
26 45 1 0 0 0 0
27 29 2 0 0 0 0
27 46 1 0 0 0 0
28 29 1 0 0 0 0
28 47 1 0 0 0 0
29 48 1 0 0 0 0
M END
$$$$