ATOM 42
1 C2b C 29.4887 -17.0656
2 C5a C 28.2805 -17.7586
3 C8y C 27.0599 -17.0594
4 O5a O 28.2743 -19.1570
5 C8y C 25.8454 -17.7648
6 C8x C 27.0599 -15.6549
7 C8x C 24.6249 -17.0594
8 O1a O 25.8515 -19.1570
9 C8x C 25.8454 -14.9557
10 C8y C 24.6249 -15.6549
11 O2a O 23.4166 -14.9495
12 C1y C 22.2084 -15.6487
13 O2x O 21.0000 -14.9495
14 C1y C 22.2084 -17.0471
15 C1y C 19.7855 -15.6487
16 C1y C 21.0000 -17.7463
17 O1a O 23.4166 -17.7463
18 C1y C 19.7855 -17.0471
19 C1b C 18.5773 -14.9495
20 O1a O 21.0000 -19.1447
21 O1a O 18.5773 -17.7463
22 O1a O 17.3690 -15.6487
23 C2b C 30.6912 -17.7646
24 C1y C 36.5286 -18.4602
25 O2a O 35.3141 -17.6936
26 O2x O 36.5469 -19.8525
27 C1y C 37.7306 -17.7427
28 C8y C 34.0998 -17.0741
29 C1y C 37.7614 -20.5333
30 C1y C 38.9511 -18.4296
31 O1a O 37.7123 -16.3443
32 C8x C 32.8853 -17.7733
33 C8y C 34.0998 -15.6757
34 C1y C 38.8934 -19.8280
35 C1b C 37.7796 -21.9317
36 O1a O 40.1533 -17.7119
37 C8y C 31.6831 -17.0680
38 C8x C 32.8915 -14.9764
39 O1a O 35.3080 -14.9825
40 O1a O 40.1841 -20.5150
41 O1a O 36.5776 -22.6432
42 C8x C 31.6770 -15.6757
BOND 45
1 1 2 1
2 2 3 1
3 2 4 2
4 3 5 2
5 3 6 1
6 5 7 1
7 5 8 1
8 6 9 2
9 7 10 2
10 10 11 1
11 12 11 1 #Up
12 12 13 1
13 12 14 1
14 13 15 1
15 14 16 1
16 14 17 1 #Down
17 15 18 1
18 15 19 1 #Up
19 16 20 1 #Up
20 18 21 1 #Down
21 19 22 1
22 9 10 1
23 16 18 1
24 1 23 2
25 24 25 1 #Up
26 24 26 1
27 24 27 1
28 25 28 1
29 26 29 1
30 27 30 1
31 27 31 1 #Down
32 28 32 1
33 28 33 2
34 29 34 1
35 29 35 1 #Up
36 30 36 1 #Up
37 32 37 2
38 33 38 1
39 33 39 1
40 34 40 1 #Down
41 35 41 1
42 37 42 1
43 30 34 1
44 38 42 2
45 23 37 1
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