ATOM 40
1 C1y C 19.8898 -14.6990
2 C1y C 19.8792 -18.0040
3 C8y C 21.0903 -14.0084
4 C8y C 18.7011 -14.0024
5 C8y C 21.0797 -18.6948
6 C8y C 18.6975 -18.6948
7 C8y C 21.0962 -12.6324
8 C8x C 22.2720 -14.7050
9 C8y C 18.7071 -12.6134
10 C8x C 17.5194 -14.6933
11 C8y C 21.0737 -20.0778
12 C8x C 22.2741 -18.0158
13 C8y C 18.6916 -20.0778
14 C8x C 17.5030 -18.0040
15 C5x C 19.9015 -11.9286
16 C8y C 22.3025 -11.9535
17 C8y C 23.5371 -14.0201
18 C8y C 17.5194 -11.9286
19 C8x C 16.3247 -14.0024
20 C5x C 19.8792 -20.7687
21 C8y C 22.2496 -20.7746
22 C8y C 23.4688 -18.7197
23 C8y C 17.4912 -20.7497
24 C8x C 16.3025 -18.6890
25 O5x O 19.9075 -10.5528
26 C8x C 23.4782 -12.6500
27 O1a O 22.3084 -10.5703
28 C6a C 24.6480 -14.7239
29 O1a O 17.5194 -10.5528
30 C8x C 16.3247 -12.6134
31 O5x O 19.8732 -22.1445
32 C8x C 23.4560 -20.0956
33 O1a O 22.2437 -22.1505
34 C6a C 24.6506 -18.0289
35 O1a O 17.4912 -22.1387
36 C8x C 16.2966 -20.0649
37 O6a O 25.8427 -14.0201
38 O6a O 24.6480 -15.8878
39 O6a O 25.8452 -18.7080
40 O6a O 24.6506 -16.8516
BOND 45
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 2
7 3 8 1
8 4 9 2
9 4 10 1
10 5 11 2
11 5 12 1
12 6 13 2
13 6 14 1
14 7 15 1
15 7 16 1
16 8 17 2
17 9 18 1
18 10 19 2
19 11 20 1
20 11 21 1
21 12 22 2
22 13 23 1
23 14 24 2
24 15 25 2
25 16 26 2
26 16 27 1
27 17 28 1
28 18 29 1
29 18 30 2
30 20 31 2
31 21 32 2
32 21 33 1
33 22 34 1
34 23 35 1
35 23 36 2
36 28 37 1
37 28 38 2
38 34 39 1
39 34 40 2
40 9 15 1
41 13 20 1
42 17 26 1
43 19 30 1
44 22 32 1
45 24 36 1
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