ATOM 111
1 N1b N 17.3600 -14.0700
2 C5a C 18.5500 -13.3700
3 C1c C 19.8100 -14.0700
4 N1b N 21.0000 -13.3700
5 C5a C 22.1900 -14.0700
6 C1c C 23.4500 -13.3700
7 N1b N 24.6400 -14.0700
8 C5a C 25.8300 -13.3700
9 C1y C 27.0200 -14.0700
10 N1y N 28.2800 -13.3700
11 C5a C 28.2800 -11.9700
12 O5a O 25.8300 -11.9700
13 C1x C 27.3700 -15.4700
14 C1x C 28.7700 -15.6100
15 C1x C 29.3300 -14.2800
16 C1y C 29.4700 -11.2700
17 N1y N 29.4700 -9.8700
18 C5a C 28.2800 -9.1700
19 O5a O 27.0200 -11.2700
20 C1x C 30.8000 -11.6900
21 C1x C 31.6400 -10.5700
22 C1x C 30.8000 -9.4500
23 O5a O 27.0900 -9.8700
24 C1c C 28.2800 -7.7700
25 C1b C 29.4700 -7.0700
26 O1a O 29.4700 -5.6700
27 N1b N 27.0900 -7.0700
28 C5a C 25.9000 -7.7700
29 C1c C 24.6400 -7.0700
30 N1b N 23.4500 -7.7700
31 C5a C 22.2600 -7.0700
32 C1c C 21.0000 -7.7700
33 N1b N 19.8100 -7.0700
34 C5a C 18.6200 -7.7700
35 O5a O 25.9000 -9.1700
36 C1c C 23.4500 -11.9700
37 C1a C 24.6400 -11.2700
38 O1a O 22.2600 -11.2700
39 O5a O 22.1900 -15.4700
40 O5a O 18.5500 -11.9700
41 C1b C 19.8100 -15.4700
42 C1a C 24.6400 -5.6700
43 O5a O 22.2600 -5.6700
44 C1b C 21.0000 -9.1700
45 C1b C 22.1900 -9.8700
46 N1a N 23.3800 -9.1700
47 C1c C 17.4300 -7.0700
48 N1b N 16.1700 -7.7700
49 O5a O 18.6200 -9.1700
50 C1b C 17.4300 -5.6700
51 C1b C 18.6200 -4.9700
52 N1a N 18.6200 -3.5700
53 N1b N 11.4100 -16.1700
54 C5a C 12.6000 -15.4700
55 C1c C 13.8600 -16.1700
56 O5a O 12.6000 -14.0700
57 C1c C 10.2200 -15.4700
58 C1b C 9.0300 -16.1700
59 C5a C 10.2200 -14.0700
60 C1b C 9.0300 -17.5700
61 C1b C 7.8400 -18.2700
62 N1b N 9.0300 -13.3700
63 O5a O 11.4100 -13.3700
64 C5a C 10.2200 -11.2700
65 C1c C 9.0300 -11.9700
66 O5a O 11.4100 -11.9700
67 C1b C 7.8400 -11.2700
68 C1b C 6.6500 -11.9700
69 N1a N 5.4600 -11.2700
70 N1b N 10.2200 -9.8700
71 C1c C 11.4100 -9.1700
72 C5a C 12.6000 -9.8700
73 C1b C 11.4100 -7.7700
74 C1b C 10.2200 -7.0700
75 N1b N 13.7900 -9.1700
76 C1c C 13.7900 -7.7700
77 O5a O 12.6000 -11.2700
78 C5a C 14.9800 -7.0700
79 C1b C 12.6000 -7.0700
80 O5a O 14.9800 -5.6700
81 N1a N 9.0047 -7.7651
82 C8y C 12.6000 -5.6700
83 C8x C 13.7326 -4.8471
84 N4x N 13.3000 -3.5156
85 C8y C 11.9000 -3.5156
86 C8y C 11.4674 -4.8471
87 C8x C 10.9632 -2.4752
88 C8x C 9.5938 -2.7663
89 C8x C 9.1612 -4.0978
90 C8x C 10.0980 -5.1382
91 N1b N 15.0666 -15.4600
92 C5a C 15.0551 -14.0700
93 O5a O 13.8330 -13.3779
94 C1c C 16.2579 -13.3622
95 C1b C 13.8773 -17.5699
96 C1c C 16.2579 -11.9622
97 C1b C 17.4535 -11.2719
98 C1a C 15.0356 -11.2563
99 C1a C 17.4535 -9.8719
100 C8y C 18.5976 -16.1700
101 C8x C 17.3374 -15.6088
102 N4x N 16.4143 -16.6339
103 C8y C 17.1039 -17.8286
104 C8y C 18.4532 -17.5419
105 C8x C 16.6711 -19.1600
106 C8x C 17.6078 -20.2005
107 C8x C 18.9572 -19.9138
108 C8x C 19.3899 -18.5824
109 C1b C 12.6608 -18.2925
110 N1a N 12.6781 -19.6700
111 N1a N 7.8514 -19.6700
BOND 117
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 8 9 1
9 9 10 1
10 10 11 1
11 8 12 2
12 9 13 1
13 13 14 1
14 14 15 1
15 10 15 1
16 11 16 1
17 16 17 1
18 17 18 1
19 11 19 2
20 16 20 1
21 20 21 1
22 21 22 1
23 17 22 1
24 18 23 2
25 18 24 1
26 24 25 1 #Up
27 25 26 1
28 24 27 1
29 28 29 1
30 29 30 1
31 30 31 1
32 31 32 1
33 32 33 1
34 33 34 1
35 28 35 2
36 27 28 1
37 6 36 1
38 36 37 1
39 36 38 1 #Down
40 5 39 2
41 2 40 2
42 3 41 1 #Up
43 29 42 1 #Up
44 31 43 2
45 32 44 1 #Down
46 44 45 1
47 45 46 1
48 34 47 1
49 47 48 1
50 34 49 2
51 47 50 1 #Up
52 50 51 1
53 51 52 1
54 53 54 1
55 54 55 1
56 54 56 2
57 53 57 1
58 57 58 1 #Up
59 57 59 1
60 58 60 1
61 60 61 1
62 59 62 1
63 59 63 2
64 64 65 1
65 62 65 1
66 64 66 2
67 65 67 1 #Down
68 67 68 1
69 68 69 1
70 64 70 1
71 70 71 1
72 71 72 1
73 71 73 1 #Up
74 73 74 1
75 72 75 1
76 75 76 1
77 72 77 2
78 76 78 1
79 76 79 1 #Up
80 78 48 1
81 78 80 2
82 74 81 1
83 79 82 1
84 82 83 2
85 83 84 1
86 84 85 1
87 85 86 2
88 82 86 1
89 85 87 1
90 87 88 2
91 88 89 1
92 89 90 2
93 86 90 1
94 55 91 1
95 91 92 1
96 92 93 2
97 92 94 1
98 55 95 1 #Up
99 94 1 1
100 94 96 1
101 96 97 1
102 96 98 1 #Up
103 97 99 1
104 41 100 1
105 100 101 2
106 101 102 1
107 102 103 1
108 103 104 2
109 100 104 1
110 103 105 1
111 105 106 2
112 106 107 1
113 107 108 2
114 104 108 1
115 95 109 1
116 109 110 1
117 61 111 1
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