1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70
|
1oir
XXCombChem01180512423D 0.00000
31 34 0 0 0 0 0 0 0 0999 V2000
-3.2400 0.6000 2.1000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9400 -0.4800 1.1600 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8400 -0.6200 0.3200 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7400 0.2800 0.2000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5000 -0.2200 -0.1600 N 0 0 0 0 0 0 0 0 0 0 0 0
1.6000 0.5600 -0.3000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8200 0.0400 -0.6400 N 0 0 0 0 0 0 0 0 0 0 0 0
3.2800 -1.2600 -0.9600 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6200 -1.5400 -1.3000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0200 -2.8600 -1.6000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1000 -3.9200 -1.5400 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7600 -3.6400 -1.1800 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3600 -2.3200 -0.9000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5400 -5.0800 -1.8200 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0200 -6.3200 -1.8800 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1800 -6.9000 -3.3200 C 0 0 3 0 0 0 0 0 0 0 0 0
5.5600 -6.9200 -3.7000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6200 -8.3600 -3.4600 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8800 -8.9600 -4.8000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4200 -10.3600 -4.8800 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3200 -9.0000 -5.1600 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4800 1.9000 -0.0800 N 0 0 0 0 0 0 0 0 0 0 0 0
0.3200 2.4600 0.2800 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8400 1.6800 0.4200 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7600 -1.5200 0.9800 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.2000 -2.3000 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0200 -1.7800 -0.3600 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.2600 -2.4000 -1.3000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7000 -3.6000 -1.8800 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9400 -4.1600 -1.4600 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7200 -3.5000 -0.4800 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 27 1 0 0 0 0
3 4 1 0 0 0 0
4 24 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 13 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
11 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
16 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
19 21 1 0 0 0 0
6 22 2 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
2 25 1 0 0 0 0
25 26 2 0 0 0 0
26 31 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
30 31 2 0 0 0 0
M END
|