ATOM 40
1 C8x C 19.8137 -15.5449
2 C8x C 19.8137 -16.9451
3 C8x C 21.0039 -17.6452
4 C8y C 22.2641 -16.9451
5 C8y C 22.2641 -15.5449
6 C8x C 21.0039 -14.8447
7 C8x C 23.4543 -17.6452
8 C8x C 24.6445 -16.9451
9 C8y C 24.6445 -15.5449
10 C8x C 23.4543 -14.8447
11 S4a S 25.8346 -14.8447
12 O1d O 27.0948 -14.1446
13 O1d O 25.1345 -13.6546
14 O1d O 26.5348 -16.0349
15 O0 O 22.8942 -19.5355
16 C8x C 11.6002 -19.2126
17 C8x C 12.3029 -20.4237
18 C8x C 13.7031 -20.4206
19 C8x C 14.4006 -19.2065
20 C8y C 13.6978 -17.9954
21 C8x C 12.2976 -17.9984
22 C8x C 15.8008 -19.2034
23 C8y C 16.4983 -17.9892
24 C1b C 15.7954 -16.7781
25 C1d C 14.3952 -16.7812
26 C8x C 16.5036 -20.4145
27 C8x C 17.9038 -20.4114
28 C8x C 18.6013 -19.1972
29 C8x C 17.8985 -17.9861
30 O7a O 13.7100 -15.5999
31 C7a C 12.3226 -15.6028
32 C1b C 11.6251 -14.4007
33 C1a C 10.2224 -14.4036
34 O6a O 11.6197 -16.8260
35 C1c C 15.0953 -15.5687
36 C1a C 16.5230 -15.5691
37 C1b C 14.3921 -14.3505
38 N1c N 15.0977 -13.1279
39 C1a C 16.5228 -13.1283
40 C1a C 14.3894 -11.9017
BOND 41
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 5 10 1
12 9 11 1
13 11 12 1
14 11 13 2
15 11 14 2
16 16 17 2
17 17 18 1
18 18 19 2
19 19 20 1
20 20 21 2
21 16 21 1
22 22 23 1
23 23 24 1
24 25 24 1 #Up
25 25 20 1 #Down
26 22 26 2
27 26 27 1
28 27 28 2
29 28 29 1
30 23 29 2
31 25 30 1
32 30 31 1
33 31 32 1
34 32 33 1
35 31 34 2
36 25 35 1
37 35 36 1 #Down
38 35 37 1
39 37 38 1
40 38 39 1
41 38 40 1
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