ATOM 42
1 C1y C 38.1754 -17.3186
2 C1z C 39.3923 -18.0163
3 C2y C 38.1754 -15.9230
4 C2b C 36.9669 -18.0249
5 C1x C 40.6006 -17.3270
6 C1a C 40.0900 -19.2332
7 C1a C 38.6860 -19.2332
8 C2x C 39.3923 -15.2167
9 C1a C 36.9585 -15.2167
10 C2b C 35.7586 -17.3356
11 C1y C 40.6092 -15.9230
12 C2c C 34.5501 -18.0333
13 O1a O 41.8175 -15.2081
14 C2b C 33.3332 -17.3440
15 C1a C 34.6117 -19.4375
16 C2b C 32.1247 -18.0419
17 C2b C 30.9078 -17.3527
18 C2c C 29.6995 -18.0503
19 C2b C 28.4826 -17.3610
20 C1a C 29.6909 -19.4545
21 C2b C 27.2741 -18.0590
22 C2b C 26.0659 -17.3610
23 C2b C 24.8574 -18.0590
24 C2c C 23.6405 -17.3697
25 C2b C 22.4322 -18.0673
26 C1a C 23.6405 -15.9655
27 C2b C 21.2153 -17.3781
28 C2b C 20.0068 -18.0760
29 C2c C 18.7899 -17.3867
30 C2b C 17.5814 -18.0844
31 C1a C 18.7899 -15.9825
32 C2b C 16.3731 -17.3951
33 C1y C 15.1732 -18.1014
34 C1z C 13.9563 -17.4037
35 C2y C 15.1732 -19.4970
36 C1x C 12.7394 -18.1014
37 C1a C 13.2414 -16.1782
38 C1a C 14.6456 -16.1782
39 C2x C 13.9563 -20.2033
40 C1a C 16.3731 -20.2033
41 C1y C 12.7394 -19.4970
42 O1a O 11.5225 -20.1949
BOND 43
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 1
5 2 6 1
6 2 7 1
7 3 8 2
8 3 9 1
9 4 10 2
10 5 11 1
11 10 12 1
12 11 13 1 #Down
13 12 14 2
14 12 15 1
15 14 16 1
16 16 17 2
17 17 18 1
18 18 19 2
19 18 20 1
20 19 21 1
21 21 22 2
22 22 23 1
23 23 24 2
24 24 25 1
25 24 26 1
26 25 27 2
27 27 28 1
28 28 29 2
29 29 30 1
30 29 31 1
31 30 32 2
32 33 32 1 #Up
33 33 34 1
34 33 35 1
35 34 36 1
36 34 37 1
37 34 38 1
38 35 39 2
39 35 40 1
40 36 41 1
41 41 42 1 #Down
42 8 11 1
43 39 41 1
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