ATOM 61
1 C1x C 16.8508 -15.3041
2 C1y C 16.8508 -16.6988
3 C1z C 17.9666 -17.3961
4 C1y C 19.2218 -16.6988
5 C1z C 19.2218 -15.3041
6 C1x C 17.9666 -14.6766
7 C1y C 20.3376 -17.3961
8 C1x C 21.5230 -16.6988
9 C1y C 21.5230 -15.3041
10 C1z C 20.3376 -14.6766
11 C1z C 22.7782 -14.6766
12 C1z C 22.7782 -13.2819
13 C1x C 21.5230 -12.6544
14 C1x C 20.3376 -13.2819
15 C1x C 25.0794 -14.6766
16 C1y C 25.0794 -13.2819
17 C1y C 23.9636 -12.6544
18 C1z C 23.9636 -11.3295
19 C1x C 23.2663 -9.1678
20 C1y C 24.6610 -9.1678
21 O2x O 25.0096 -10.4927
22 C1x C 22.8479 -10.4927
23 C1x C 19.2218 -13.9792
24 C1a C 17.2692 -18.8605
25 C1a C 18.7336 -18.8605
26 O2a O 15.6654 -17.3961
27 C1y C 14.4102 -18.0934
28 O2x O 13.3642 -17.3961
29 C1x C 12.1091 -18.0934
30 C1y C 12.1091 -19.4185
31 C1y C 13.3642 -20.1158
32 C1y C 14.4102 -19.4185
33 O2a O 20.3376 -18.7210
34 C1a C 22.7782 -11.8873
35 C1a C 22.7782 -16.0015
36 O1a O 26.2648 -12.6544
37 C1a C 25.7070 -11.3295
38 C1d C 24.6610 -8.0521
39 O1a O 25.9162 -7.5639
40 C1a C 23.4755 -7.4245
41 C1a C 24.6610 -6.4482
42 C1y C 21.5927 -19.4185
43 C1y C 21.5927 -20.8131
44 C1y C 22.7782 -21.5104
45 C1y C 23.9636 -20.8131
46 C1y C 23.9636 -19.4185
47 O2x O 22.7782 -18.7210
48 C1b C 25.2188 -18.7210
49 O1a O 26.4043 -19.4185
50 O1a O 20.3376 -21.5802
51 O1a O 22.7782 -22.9748
52 O1a O 25.2188 -21.5802
53 O1a O 10.9071 -20.1257
54 O7a O 15.9187 -20.3555
55 O7a O 13.4206 -21.5093
56 C7a C 15.9187 -21.8199
57 O6a O 14.7432 -22.4981
58 C1a C 17.1264 -22.5175
59 C7a C 12.2082 -22.2093
60 C1a C 12.2082 -23.6093
61 O6a O 10.9662 -21.4923
BOND 68
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
22 19 20 1
23 20 21 1
24 21 18 1
25 18 22 1
26 19 22 1
27 5 23 1 #Up
28 10 23 1 #Up
29 3 24 1
30 3 25 1
31 2 26 1 #Up
32 27 26 1 #Up
33 27 28 1
34 28 29 1
35 29 30 1
36 30 31 1
37 31 32 1
38 27 32 1
39 7 33 1 #Down
40 12 34 1 #Up
41 11 35 1 #Down
42 16 36 1 #Up
43 18 37 1 #Down
44 20 38 1 #Up
45 38 39 1
46 38 40 1
47 38 41 1
48 42 33 1 #Down
49 42 43 1
50 43 44 1
51 44 45 1
52 45 46 1
53 46 47 1
54 42 47 1
55 46 48 1 #Down
56 48 49 1
57 43 50 1 #Up
58 44 51 1 #Down
59 45 52 1 #Up
60 30 53 1 #Down
61 32 54 1 #Down
62 31 55 1 #Up
63 56 54 1
64 56 57 2
65 56 58 1
66 55 59 1
67 59 60 1
68 59 61 2
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