ATOM 39
1 C1x C 16.8282 -16.4841
2 C1y C 16.8282 -15.0782
3 C1x C 18.0232 -14.3752
4 C1y C 19.2885 -15.0782
5 C1z C 19.2885 -16.4841
6 C1x C 18.0232 -17.1870
7 C2y C 20.4835 -14.3752
8 C1x C 21.6785 -15.0782
9 C1y C 21.6785 -16.4841
10 C1x C 20.4835 -17.1870
11 C1a C 19.2885 -17.8899
12 O2a O 22.8032 -17.1870
13 C2a C 20.4835 -13.1099
14 C1y C 24.0685 -16.5543
15 C1y C 24.0685 -15.1485
16 C1y C 25.3337 -14.4455
17 C1y C 26.5287 -15.1485
18 C1y C 26.5287 -16.5543
19 O2x O 25.3337 -17.2573
20 O1a O 22.8032 -14.3752
21 O1a O 25.3337 -13.1099
22 O1a O 27.7940 -14.4455
23 C1b C 27.7940 -17.2573
24 O1a O 28.9890 -16.5543
25 C1d C 15.6332 -14.3752
26 O2a O 14.4382 -15.0782
27 C1y C 13.1729 -15.7811
28 O2x O 11.9779 -15.0782
29 C1y C 10.7829 -15.7811
30 C1y C 10.7829 -17.1870
31 C1y C 11.9779 -17.8196
32 C1y C 13.1729 -17.1870
33 O1a O 14.4382 -17.8196
34 O1a O 11.9779 -19.2255
35 O1a O 9.5176 -17.8196
36 C1b C 9.5176 -15.0782
37 O1a O 8.2523 -15.7811
38 C1a C 16.2658 -13.1802
39 C1a C 14.9302 -13.1802
BOND 42
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
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 5 11 1 #Up
13 9 12 1 #Down
14 7 13 2
15 14 12 1 #Up
16 14 15 1
17 15 16 1
18 16 17 1
19 17 18 1
20 18 19 1
21 14 19 1
22 15 20 1 #Down
23 16 21 1 #Up
24 17 22 1 #Down
25 18 23 1 #Up
26 23 24 1
27 2 25 1 #Up
28 25 26 1
29 27 26 1 #Up
30 27 28 1
31 28 29 1
32 29 30 1
33 30 31 1
34 31 32 1
35 27 32 1
36 32 33 1 #Down
37 31 34 1 #Up
38 30 35 1 #Down
39 29 36 1 #Up
40 36 37 1
41 25 38 1
42 25 39 1
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