ATOM 70
1 C1x C 22.2691 -15.4981
2 C1y C 22.2691 -16.8919
3 C1x C 23.4538 -17.5888
4 C1y C 24.7082 -16.8919
5 C1z C 24.7082 -15.4981
6 C1x C 23.4538 -14.8012
7 C1x C 25.8930 -17.5888
8 C1x C 27.0777 -16.8919
9 C1y C 27.0777 -15.4981
10 C1y C 25.8930 -14.8012
11 C1z C 28.2624 -14.8012
12 C1z C 28.2624 -13.4074
13 C1y C 27.0777 -12.7105
14 C1y C 25.8930 -13.4074
15 C1x C 30.6318 -14.8012
16 C1x C 30.6318 -13.4074
17 C1y C 29.4471 -12.7105
18 O7a O 24.5689 -12.4318
19 C1a C 28.2624 -12.3621
20 O1a O 28.2624 -16.1950
21 C1a C 24.7082 -14.3831
22 O2a O 21.0844 -17.5888
23 C1y C 19.8997 -18.2160
24 O2x O 18.7150 -17.5191
25 C1y C 17.4606 -18.2160
26 C1y C 17.4606 -19.6097
27 C1y C 18.7150 -20.3066
28 C1x C 19.8997 -19.6097
29 C1a C 16.2759 -17.5191
30 O2a O 16.2759 -20.3066
31 O2a O 18.7150 -21.7004
32 C1y C 15.0911 -21.0035
33 O2x O 13.8367 -20.3066
34 C1y C 12.6520 -21.0035
35 C1y C 12.6520 -22.3973
36 C1y C 13.9064 -23.0942
37 C1x C 15.0911 -22.3973
38 O2a O 13.9064 -24.4880
39 O2a O 11.4673 -23.0942
40 C1a C 11.4673 -20.3066
41 C1y C 10.2826 -23.7911
42 O2x O 9.0282 -23.0942
43 C1y C 7.8435 -23.7911
44 C1y C 7.8435 -25.1152
45 C1y C 9.0282 -25.8121
46 C1y C 10.2826 -25.1849
47 O2a O 9.0282 -27.2059
48 O1a O 11.4673 -25.8121
49 O1a O 6.5891 -25.8121
50 C1a C 6.5891 -23.0245
51 C1a C 19.8997 -22.3973
52 C1a C 15.0911 -25.1849
53 C1a C 10.2826 -27.9028
54 O7a O 27.0777 -11.3167
55 C5a C 29.4471 -11.3167
56 C1a C 30.6541 -10.6198
57 O5a O 28.2401 -10.6198
58 C7a C 25.8649 -10.6298
59 O6a O 24.6889 -11.3219
60 C2b C 25.9227 -9.2267
61 C7a C 23.2918 -12.9901
62 C1a C 21.9054 -12.3828
63 O6a O 23.3462 -14.3717
64 C2b C 27.0642 -8.5921
65 C8y C 27.1216 -7.2058
66 C8x C 28.3415 -6.4863
67 C8x C 28.3286 -5.0926
68 C8x C 27.1151 -4.4069
69 C8x C 25.8952 -5.1264
70 C8x C 25.9081 -6.5201
BOND 77
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 14 18 1 #Down
22 12 19 1 #Up
23 11 20 1 #Up
24 5 21 1 #Up
25 2 22 1 #Up
26 23 22 1 #Up
27 23 24 1
28 24 25 1
29 25 26 1
30 26 27 1
31 27 28 1
32 23 28 1
33 25 29 1 #Up
34 26 30 1 #Down
35 27 31 1 #Down
36 32 30 1 #Up
37 32 33 1
38 33 34 1
39 34 35 1
40 35 36 1
41 36 37 1
42 32 37 1
43 36 38 1 #Up
44 35 39 1 #Down
45 34 40 1 #Up
46 41 39 1 #Up
47 41 42 1
48 42 43 1
49 43 44 1
50 44 45 1
51 45 46 1
52 41 46 1
53 45 47 1 #Down
54 46 48 1 #Down
55 44 49 1 #Down
56 43 50 1 #Up
57 31 51 1
58 38 52 1
59 47 53 1
60 13 54 1 #Up
61 17 55 1 #Up
62 55 56 1
63 55 57 2
64 54 58 1
65 58 59 2
66 58 60 1
67 18 61 1
68 61 62 1
69 61 63 2
70 60 64 2
71 64 65 1
72 65 66 2
73 66 67 1
74 67 68 2
75 68 69 1
76 69 70 2
77 65 70 1
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