ATOM 48
1 C1x C 14.1966 -16.5040
2 C1y C 14.1966 -15.1049
3 C1x C 15.3858 -14.4053
4 C1y C 16.6450 -15.1049
5 C1z C 16.6450 -16.5040
6 C1x C 15.3858 -17.2035
7 C2y C 17.8343 -14.4053
8 C1x C 19.0235 -15.1049
9 C1y C 19.0235 -16.5040
10 C1x C 17.8343 -17.2035
11 C1a C 16.6450 -17.9031
12 O2a O 20.2127 -17.2035
13 C2a C 17.8343 -13.0762
14 C1y C 21.4719 -16.5739
15 C1y C 21.4719 -15.1748
16 C1y C 22.7311 -14.4753
17 C1y C 23.9203 -15.1748
18 C1y C 23.9203 -16.5739
19 O2x O 22.7311 -17.2735
20 O1a O 20.2127 -14.4053
21 O1a O 22.7311 -13.0762
22 O1a O 25.1795 -14.4753
23 C1b C 25.1795 -17.2735
24 O2a O 26.3687 -16.5739
25 C1y C 27.5580 -15.8744
26 C1y C 27.9777 -14.5452
27 C1z C 29.3768 -14.5452
28 C1x C 29.7965 -15.8744
29 O2x O 28.6772 -16.7138
30 O1a O 27.1382 -13.4260
31 C1b C 30.2162 -13.4260
32 O1a O 31.6153 -13.4260
33 O1a O 30.7759 -14.5452
34 C1d C 13.0074 -14.4053
35 O2a O 11.8181 -15.1049
36 C1y C 10.5590 -15.8044
37 O2x O 9.3697 -15.1049
38 C1y C 8.1805 -15.8044
39 C1y C 8.1805 -17.2035
40 C1y C 9.3697 -17.8331
41 C1y C 10.5590 -17.2035
42 O1a O 11.8181 -17.8331
43 O1a O 9.3697 -19.2322
44 O1a O 6.9213 -17.8331
45 C1b C 6.9213 -15.1049
46 O1a O 5.6621 -15.8044
47 C1a C 13.6370 -13.1462
48 C1a C 12.3078 -13.1462
BOND 52
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 5 11 1 #Up
13 9 12 1 #Down
14 7 13 2
15 14 12 1 #Up
16 14 15 1
17 15 16 1
18 16 17 1
19 17 18 1
20 18 19 1
21 14 19 1
22 15 20 1 #Down
23 16 21 1 #Up
24 17 22 1 #Down
25 18 23 1 #Up
26 23 24 1
27 25 24 1 #Up
28 26 27 1
29 27 28 1
30 28 29 1
31 29 25 1
32 26 25 1
33 26 30 1 #Down
34 27 31 1 #Up
35 31 32 1
36 27 33 1 #Down
37 2 34 1 #Up
38 34 35 1
39 36 35 1 #Up
40 36 37 1
41 37 38 1
42 38 39 1
43 39 40 1
44 40 41 1
45 36 41 1
46 41 42 1 #Down
47 40 43 1 #Up
48 39 44 1 #Down
49 38 45 1 #Up
50 45 46 1
51 34 47 1
52 34 48 1
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