ATOM 50
1 C1x C 28.6245 -19.9849
2 C1y C 28.6245 -21.3677
3 C1x C 29.8220 -22.0591
4 C1z C 31.0196 -21.3677
5 C1z C 31.0196 -19.9849
6 C1x C 29.8220 -19.2935
7 C1x C 32.2171 -22.0591
8 C1x C 33.4146 -21.3677
9 C1y C 33.4146 -19.9849
10 C1y C 32.2171 -19.2935
11 C1z C 34.6122 -19.2935
12 C1z C 34.6122 -17.9107
13 C1x C 33.4146 -17.2193
14 C1x C 32.2171 -17.9107
15 C1x C 37.0072 -19.2935
16 C1x C 37.0072 -17.9107
17 C1y C 35.8097 -17.2193
18 C2y C 35.8097 -15.8365
19 C1x C 36.9319 -15.0211
20 O7x O 36.5033 -13.7019
21 C7x C 35.1161 -13.7019
22 C2x C 34.6875 -15.0211
23 O6a O 34.3017 -12.5811
24 C1a C 34.6122 -16.5279
25 O1a O 34.6122 -20.6763
26 C4a C 31.0196 -18.6021
27 O1a O 31.0196 -22.7505
28 O4a O 29.8407 -17.9213
29 O2a O 27.4270 -22.0591
30 C1y C 26.2462 -21.3772
31 O2x O 26.2462 -19.9852
32 C1y C 25.0485 -19.2938
33 C1y C 23.8510 -19.9852
34 C1y C 23.8510 -21.3772
35 C1y C 25.0486 -22.0686
36 O2a O 22.6554 -19.2950
37 C1y C 21.4759 -19.9762
38 C1y C 20.3025 -19.2987
39 C1y C 19.1050 -19.9902
40 C1y C 19.1050 -21.3730
41 C1y C 20.2784 -22.0504
42 O2x O 21.4759 -21.3590
43 O1a O 17.8888 -19.2880
44 C1b C 20.2786 -23.4418
45 O1a O 22.7979 -22.3416
46 O1a O 25.0485 -23.4418
47 C1a C 25.0485 -17.9108
48 O1a O 17.8936 -22.0727
49 O1a O 20.3024 -17.9109
50 O1a O 19.0661 -24.1421
BOND 56
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 19 20 1
24 20 21 1
25 21 22 1
26 18 22 2
27 21 23 2
28 12 24 1 #Up
29 11 25 1 #Up
30 5 26 1 #Up
31 4 27 1 #Up
32 26 28 2
33 2 29 1 #Up
34 29 30 1
35 30 31 1
36 31 32 1
37 32 33 1
38 33 34 1
39 34 35 1
40 30 35 1
41 33 36 1 #Up
42 36 37 1
43 37 38 1
44 38 39 1
45 39 40 1
46 40 41 1
47 41 42 1
48 37 42 1
49 39 43 1 #Down
50 41 44 1 #Down
51 34 45 1 #Down
52 35 46 1 #Down
53 32 47 1 #Down
54 40 48 1 #Up
55 38 49 1 #Up
56 44 50 1
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