ATOM 29
1 C1y C 1.0759 0.8138
2 C1y C 1.7897 0.4000
3 C1y C 1.0759 1.6379
4 O2a O 0.3621 0.4000
5 C1y C 2.5035 0.8138
6 O2x O 1.1172 -0.4897
7 O2x O 1.7897 2.0517
8 C1x C 0.3621 2.0517
9 C1y C -0.3552 -0.0103
10 C1y C 2.5035 1.6379
11 O2a O 3.2172 0.4000
12 C1y C -0.3552 -0.8379
13 O2x O -1.0655 0.4000
14 O1a O 3.2172 2.0483
15 R R 3.2172 -0.4241
16 C1y C -1.0655 -1.2483
17 O1a O 0.3621 -1.2483
18 C1y C -1.7828 -0.0103
19 Z * 4.4138 2.0517
20 C1y C -1.7828 -0.8379
21 O1a O -1.0655 -2.0759
22 C1b C -2.4966 0.4000
23 O2a O -2.4966 -1.2483
24 Z * -2.2069 -2.4862
25 O1a O -2.4966 1.2276
26 S4a S -3.3241 -1.2448
27 O1d O -3.3276 -2.0690
28 O1d O -3.3276 -0.4207
29 O1d O -4.1483 -1.2414
BOND 31
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 1
5 2 6 1 #Up
6 3 7 1
7 3 8 1 #Up
8 9 4 1 #Up
9 5 10 1
10 5 11 1 #Down
11 9 12 1
12 9 13 1
13 10 14 1 #Up
14 11 15 1
15 12 16 1
16 12 17 1 #Down
17 13 18 1
18 14 19 1
19 16 20 1
20 16 21 1 #Up
21 18 22 1 #Up
22 20 23 1 #Up
23 21 24 1
24 22 25 1
25 23 26 1
26 26 27 1
27 26 28 2
28 26 29 2
29 6 8 1
30 7 10 1
31 18 20 1
BRACKET 1 -1.7000 -2.6724 -1.7000 -1.8517
1 3.8310 2.4793 3.8310 1.6483
1 n
ORIGINAL 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16
1 17 18 20 21 22 23 25 26 27 28 29
REPEAT 1
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