ATOM 39
1 C8y C 24.2721 -18.2310
2 C8y C 24.2779 -16.8330
3 C8y C 25.4711 -18.9269
4 C8y C 23.0614 -18.9269
5 C8y C 25.4885 -16.1429
6 C8y C 23.0674 -16.1371
7 C8y C 26.6875 -18.2367
8 C8y C 25.4594 -20.3306
9 C8y C 21.8567 -18.2310
10 C8y C 23.0614 -20.3189
11 C8y C 26.6992 -16.8390
12 C8y C 25.5002 -14.7392
13 C8y C 21.8508 -16.8273
14 C8y C 23.0731 -14.7275
15 C8y C 27.8924 -18.9503
16 C5x C 24.2662 -21.0148
17 C8y C 26.6641 -21.0324
18 C8y C 20.6518 -18.9269
19 C8y C 21.8508 -21.0090
20 C8y C 27.9216 -16.1605
21 C5x C 24.2955 -14.0257
22 C8y C 26.7226 -14.0433
23 C8y C 20.6343 -16.1371
24 C8y C 21.8567 -14.0199
25 C8x C 27.8807 -20.3540
26 C1b C 29.1205 -18.2601
27 O5x O 24.2604 -22.4244
28 O1a O 26.6466 -22.4418
29 C8x C 20.6460 -20.3129
30 O1a O 19.4354 -18.2133
31 O1a O 21.8508 -22.4127
32 C8x C 27.9333 -14.7626
33 C1a C 29.1322 -16.8741
34 O5x O 24.3013 -12.6222
35 O1a O 26.7343 -12.6396
36 C8x C 20.6343 -14.7275
37 O1a O 19.4177 -16.8330
38 O1a O 21.8567 -12.6162
39 O1a O 30.3312 -18.9737
BOND 46
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 2
8 4 9 1
9 4 10 2
10 5 11 1
11 5 12 2
12 6 13 1
13 6 14 2
14 7 15 2
15 8 16 1
16 8 17 1
17 9 18 2
18 10 19 1
19 11 20 2
20 12 21 1
21 12 22 1
22 13 23 2
23 14 24 1
24 15 25 1
25 15 26 1
26 16 27 2
27 17 28 1
28 18 29 1
29 18 30 1
30 19 31 1
31 20 32 1
32 20 33 1
33 21 34 2
34 22 35 1
35 23 36 1
36 23 37 1
37 24 38 1
38 26 39 1
39 7 11 1
40 9 13 1
41 10 16 1
42 14 21 1
43 17 25 2
44 19 29 2
45 22 32 2
46 24 36 2
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