ATOM 39
1 C1x C 15.0567 -20.3962
2 C1y C 15.0567 -21.7971
3 C1x C 16.2475 -22.4975
4 C1y C 17.4382 -21.7971
5 C1z C 17.4382 -20.3962
6 C1x C 16.2475 -19.6958
7 C1x C 18.6290 -22.4975
8 C1x C 19.8196 -21.7971
9 C1y C 19.8196 -20.3962
10 C1y C 18.6290 -19.6958
11 C1z C 21.0804 -19.6958
12 C1z C 21.0804 -18.2948
13 C1y C 19.8196 -17.5944
14 C1y C 18.6290 -18.2948
15 C1x C 23.4619 -19.6958
16 C1x C 23.4619 -18.2948
17 C1y C 22.2711 -17.5944
18 C5a C 22.2711 -16.1936
19 C1a C 23.4619 -15.4932
20 O5a O 21.0804 -15.5632
21 C1a C 21.0804 -17.3843
22 O7a O 19.8196 -16.1936
23 O1a O 21.0804 -21.0966
24 O7a O 17.4382 -17.3132
25 C1a C 17.4382 -19.2766
26 O1a O 13.8660 -22.4975
27 C7a C 18.6066 -15.4932
28 O6a O 17.4103 -16.1840
29 C2b C 18.6065 -14.0925
30 C2b C 19.8243 -13.3894
31 C8y C 19.8246 -11.9908
32 C8x C 21.0670 -11.2734
33 C8x C 21.0669 -9.8672
34 C8x C 19.8491 -9.1641
35 C8x C 18.6067 -9.8814
36 C8x C 18.6067 -11.2877
37 C7a C 16.2277 -17.9994
38 C1a C 14.9813 -17.2671
39 O6a O 16.2052 -19.1244
BOND 43
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 9 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 10 14 1
17 11 15 1
18 15 16 1
19 16 17 1
20 12 17 1
21 17 18 1 #Up
22 18 19 1
23 18 20 2
24 12 21 1 #Up
25 13 22 1 #Up
26 11 23 1 #Up
27 14 24 1 #Down
28 5 25 1 #Up
29 2 26 1 #Up
30 22 27 1
31 27 28 2
32 27 29 1
33 29 30 2
34 30 31 1
35 31 32 2
36 32 33 1
37 33 34 2
38 34 35 1
39 35 36 2
40 31 36 1
41 24 37 1
42 37 38 1
43 37 39 2
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