ATOM 42
1 C1y C 22.5302 -14.7406
2 O2x O 22.5302 -16.0956
3 C1x C 23.7037 -16.7732
4 C1y C 24.8773 -16.0956
5 C1y C 24.8773 -14.7406
6 C1y C 23.7037 -14.0630
7 O1a O 26.0689 -16.7838
8 O1a O 26.0689 -14.0524
9 O1a O 23.7037 -12.7082
10 C8y C 17.0891 -14.1179
11 C8y C 17.0834 -15.4781
12 C8y C 18.2736 -13.4379
13 O2x O 15.9160 -13.4265 #+
14 O2a O 18.0866 -16.9088
15 C8x C 15.9047 -16.1523
16 C8x C 19.4522 -14.1235
17 C8x C 18.2736 -12.0723
18 C8y C 14.7316 -14.1066
19 C1y C 19.4295 -18.1989
20 C8y C 14.7259 -15.4668
21 C8y C 20.6366 -13.4434
22 C8y C 19.4579 -11.3922
23 C8x C 13.5529 -13.4210
24 O2x O 19.4295 -19.5531
25 C1y C 20.6084 -17.5187
26 C8y C 13.5529 -16.1467
27 C8y C 20.6423 -12.0778
28 R R 21.8097 -14.1235
29 C8y C 12.3741 -14.1066
30 C1y C 20.6084 -20.2332
31 C1y C 21.7757 -18.1989
32 O2a O 20.6761 -16.0293
33 C8x C 12.3741 -15.4668
34 O1a O 13.5529 -17.5011
35 O1a O 21.8152 -11.4034
36 O1a O 11.2010 -13.4323
37 C1y C 21.7757 -19.5531
38 C1b C 20.6084 -21.5877
39 O1a O 22.9543 -17.5187
40 O1a O 22.9543 -20.2277
41 O1a O 19.4352 -22.2678
42 R R 19.4610 -10.0696
BOND 46
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 1 #Down
8 5 8 1 #Up
9 6 9 1 #Down
10 10 11 1
11 10 12 1
12 10 13 2
13 11 14 1
14 11 15 2
15 12 16 2
16 12 17 1
17 13 18 1
18 19 14 1 #Up
19 15 20 1
20 16 21 1
21 17 22 2
22 18 23 1
23 19 24 1
24 19 25 1
25 20 26 1
26 21 27 2
27 21 28 1
28 23 29 2
29 24 30 1
30 25 31 1
31 25 32 1 #Down
32 26 33 2
33 26 34 1
34 27 35 1
35 29 36 1
36 30 37 1
37 30 38 1 #Up
38 31 39 1 #Up
39 37 40 1 #Down
40 38 41 1
41 18 20 2
42 22 27 1
43 29 33 1
44 31 37 1
45 22 42 1
46 1 32 1 #Up
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