LISM21
-OEChem-05022321263D
48 51 0 0 0 0 0 0 0999 V2000
0.6561 2.1407 -1.7849 S 0 0 0 0 0 0 0 0 0 0 0 0
-2.5292 -2.3796 0.8358 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5768 0.6908 -1.8657 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3358 2.9630 -2.4584 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9232 -3.4736 0.0745 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4952 -1.8058 0.2336 N 0 0 0 0 0 0 0 0 0 0 0 0
1.5529 0.4058 0.6003 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7235 -0.6944 0.5571 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1035 1.7348 0.9051 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8008 -1.3989 0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8625 -0.0398 0.2973 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6749 2.6073 -0.0951 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6713 -0.8997 0.7650 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9659 -3.0902 0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1018 2.1467 2.2377 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1857 -2.1393 0.6438 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3489 -3.2827 0.3038 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8940 -2.2610 -0.2617 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2446 3.8918 0.2373 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6715 3.4313 2.5702 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2429 4.3039 1.5700 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2614 2.6107 -2.3841 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0970 -1.7362 -1.0596 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4036 -1.5094 0.2486 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4929 -1.0219 0.9706 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2070 -1.1083 -1.0728 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3856 -0.1336 0.3713 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0997 -0.2197 -1.6723 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1890 0.2676 -0.9502 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7557 0.5691 0.2491 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2847 -0.0475 1.0389 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6135 -3.9132 -0.1612 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4323 1.4807 3.0316 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8003 -4.2631 0.2084 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0859 4.5952 -0.5217 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6705 3.7523 3.6077 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0902 5.3047 1.8289 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3150 2.3513 -3.4437 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3842 3.6884 -2.2608 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0301 2.0689 -1.8323 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7180 -1.1117 -0.4126 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7457 -1.1588 -1.9191 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6901 -2.5791 -1.4256 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6508 -1.3305 2.0003 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3811 -1.4893 -1.6678 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2338 0.2459 0.9335 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9494 0.0890 -2.7027 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8847 0.9587 -1.4171 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
$$$$