ATOM 77
1 C8x C 38.0775 -17.5076
2 C8x C 38.0775 -18.9121
3 C8y C 39.2713 -19.6144
4 C8y C 40.5353 -18.9121
5 C8y C 40.5353 -17.5076
6 C8y C 39.2713 -16.8054
7 C5x C 41.7291 -19.6144
8 C2y C 42.9229 -18.9121
9 C2y C 42.9229 -17.5076
10 C5x C 41.7291 -16.8054
11 C1y C 44.1869 -19.6144
12 C1x C 45.3808 -18.9121
13 C8y C 45.3808 -17.5076
14 C8y C 44.1869 -16.8054
15 O2a O 39.2713 -21.0188
16 O5x O 41.7291 -21.0188
17 O1a O 44.1869 -21.0188
18 C8x C 46.5744 -16.8054
19 C8y C 46.5744 -15.4008
20 C8x C 45.3808 -14.6986
21 C8y C 44.1869 -15.4008
22 O1a O 42.9930 -14.6986
23 C1a C 47.7683 -14.6986
24 O5x O 41.7296 -15.4266
25 C1y C 38.0662 -21.7145
26 O2x O 36.8627 -21.0194
27 C1y C 35.6500 -21.7194
28 C1y C 35.6499 -23.1197
29 C1y C 36.8531 -23.8147
30 C1x C 38.0660 -23.1147
31 C1a C 34.4187 -21.0083
32 O1a O 36.8527 -25.2060
33 O2a O 34.4307 -23.8235
34 C1y C 33.2182 -24.5236
35 O2x O 32.0201 -23.8313
36 C1y C 30.8074 -24.5311
37 C1y C 30.8070 -25.9311
38 C1y C 32.0051 -26.6233
39 C1x C 33.2178 -25.9236
40 C1a C 29.5762 -23.8201
41 O2a O 32.0045 -28.0015
42 O1a O 29.6015 -26.6265
43 O1a O 39.2540 -15.4013
44 C1y C 30.7803 -28.7079
45 O2x O 29.5667 -28.0068
46 C1y C 28.3547 -28.7061
47 C1y C 28.3544 -30.1054
48 C1x C 29.5681 -30.8065
49 C1x C 30.7800 -30.1071
50 C1a C 27.1242 -27.9956
51 O2a O 27.1414 -30.8054
52 C1y C 25.9290 -31.5054
53 O2x O 24.6926 -30.7914
54 C1y C 23.4801 -31.4912
55 C1y C 23.4799 -32.8912
56 C1y C 24.7162 -33.6052
57 C1x C 25.9288 -32.9054
58 C1a C 22.2493 -30.7800
59 O1a O 24.7160 -35.0000
60 O2a O 22.2412 -33.6063
61 C1y C 21.0288 -34.3063
62 O2x O 19.7922 -33.5921
63 C1y C 18.5796 -34.2920
64 C1y C 18.5795 -35.6920
65 C1y C 19.8161 -36.4061
66 C1x C 21.0286 -35.7063
67 C1a C 17.3489 -33.5808
68 O2a O 19.8159 -37.8000
69 O1a O 17.3415 -36.4067
70 C1y C 18.5989 -38.5024
71 O2x O 17.4015 -37.8106
72 C1y C 16.1889 -38.5103
73 C1y C 16.1885 -39.9103
74 C1x C 17.3860 -40.6021
75 C1x C 18.5986 -39.9024
76 C1a C 14.9580 -37.7992
77 O1a O 14.9667 -40.6155
BOND 86
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 2
10 9 10 1
11 5 10 1
12 8 11 1
13 11 12 1
14 12 13 1
15 13 14 2
16 9 14 1
17 3 15 1
18 7 16 2
19 11 17 1 #Up
20 13 18 1
21 18 19 2
22 19 20 1
23 20 21 2
24 14 21 1
25 21 22 1
26 19 23 1
27 10 24 2
28 25 15 1 #Up
29 25 26 1
30 26 27 1
31 27 28 1
32 28 29 1
33 29 30 1
34 25 30 1
35 27 31 1 #Up
36 29 32 1 #Up
37 28 33 1 #Down
38 34 33 1 #Up
39 34 35 1
40 35 36 1
41 36 37 1
42 37 38 1
43 38 39 1
44 34 39 1
45 36 40 1 #Up
46 38 41 1 #Up
47 37 42 1 #Down
48 6 43 1
49 44 41 1 #Up
50 44 45 1
51 45 46 1
52 46 47 1
53 47 48 1
54 48 49 1
55 44 49 1
56 46 50 1 #Down
57 47 51 1 #Down
58 52 51 1 #Up
59 52 53 1
60 53 54 1
61 54 55 1
62 55 56 1
63 56 57 1
64 52 57 1
65 54 58 1 #Up
66 56 59 1 #Up
67 55 60 1 #Down
68 61 60 1 #Up
69 61 62 1
70 62 63 1
71 63 64 1
72 64 65 1
73 65 66 1
74 61 66 1
75 63 67 1 #Up
76 65 68 1 #Up
77 64 69 1 #Down
78 70 68 1 #Up
79 70 71 1
80 71 72 1
81 72 73 1
82 73 74 1
83 74 75 1
84 70 75 1
85 72 76 1 #Down
86 73 77 1 #Down
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