ATOM 101
1 C8y C 19.7984 -18.7485
2 C8y C 20.9178 -18.0491
3 C8y C 18.6092 -18.0491
4 O2a O 19.7984 -20.0778
5 C8x C 20.9178 -16.7198
6 O2x O 22.0371 -18.7485
7 C8x C 18.6092 -16.7198
8 O2x O 17.4199 -18.7485
9 C1y C 18.6092 -21.8267
10 C8y C 19.7285 -16.0202
11 C8y C 23.2263 -18.0491
12 C8y C 16.3006 -18.0491
13 C1y C 18.6092 -23.1559
14 O2x O 17.4199 -21.1271
15 C1y C 19.7285 -13.8516
16 C8y C 23.2263 -16.7198
17 C8x C 24.4156 -18.6786
18 C8y C 15.1113 -18.7485
19 C8x C 16.3006 -16.7198
20 C1y C 17.4898 -23.8554
21 C1y C 16.3006 -21.8267
22 C5x C 20.8478 -13.2220
23 N1x N 18.5392 -13.2220
24 C8x C 24.4156 -16.0202
25 X Cl 22.0371 -16.0202
26 C8x C 25.5349 -18.0491
27 C8x C 13.9920 -18.0491
28 X Cl 15.1113 -20.0778
29 C8x C 15.1113 -16.0202
30 C1y C 16.3006 -23.1559
31 O1a O 17.4898 -25.1846
32 N1x N 22.0371 -13.8516
33 O5x O 20.8478 -11.8229
34 C5x C 17.4199 -13.8516
35 C8y C 25.5349 -16.7198
36 C8y C 13.9920 -16.7198
37 O1a O 15.1113 -23.8554
38 C1y C 23.2263 -13.2220
39 C1y C 16.2306 -13.2220
40 O5x O 17.4199 -15.1808
41 C1y C 26.6543 -16.0202
42 C1y C 12.7328 -16.0202
43 C8y C 23.2263 -11.8229
44 C5x C 24.3457 -13.8516
45 N1x N 15.1113 -13.8516
46 C1y C 26.6543 -13.8516
47 O2a O 27.8435 -16.7198
48 C1y C 12.7328 -13.9216
49 O1a O 11.5435 -16.7198
50 C8x C 24.3457 -11.1932
51 C8x C 22.0371 -11.1932
52 N1x N 25.4650 -13.1520
53 C5x C 13.9221 -13.2220
54 C5x C 27.8435 -13.2220
55 N1b N 11.5435 -13.2220
56 C8y C 24.3457 -9.8641
57 C8x C 22.0371 -9.8641
58 O5x O 13.9221 -11.8928
59 N1x N 27.8435 -11.8229
60 O5x O 28.9627 -13.8516
61 C5a C 10.4242 -13.8516
62 C8y C 25.5349 -9.1645
63 C8y C 23.1564 -9.1645
64 C1y C 26.6543 -11.1932
65 C1c C 9.2349 -13.2220
66 O5a O 10.4242 -15.1808
67 C8y C 26.6543 -9.8641
68 C8y C 25.5349 -7.8353
69 C6a C 28.8928 -9.9340
70 C1b C 9.2349 -11.8928
71 N1b N 8.1156 -13.8516
72 C8x C 27.8435 -9.1645
73 C8x C 26.6543 -7.2057
74 O1a O 24.3457 -7.2057
75 C8y C 27.8434 -7.8353
76 O1a O 28.9627 -7.1358
77 O5x O 24.3457 -15.2507
78 O1a O 23.1564 -7.7653
79 O6a O 30.0821 -10.6336
80 O6a O 28.8928 -8.5349
81 C1a C 8.1156 -15.3906
82 C1c C 8.0457 -11.1932
83 C1a C 6.8564 -11.8928
84 C1a C 8.0457 -9.8641
85 C1b C 16.2306 -11.0534
86 C5a C 17.4199 -10.3538
87 N1a N 18.6092 -10.9834
88 O5a O 17.4199 -8.9546
89 C1b C 15.1113 -21.1271
90 O1a O 13.9221 -21.8267
91 O1a O 19.7984 -23.7855
92 C1y C 27.8435 -18.1190
93 O2x O 26.6319 -18.8186
94 C1y C 26.6319 -20.2177
95 C1y C 27.8435 -20.9173
96 C1z C 29.0552 -20.2177
97 C1x C 29.0552 -18.8186
98 C1a C 25.4370 -20.9077
99 O1a O 27.8435 -22.3163
100 N1a N 30.4542 -20.2177
101 C1a C 29.4172 -21.5692
BOND 110
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 1
8 9 4 1 #Up
9 5 10 1
10 6 11 1
11 8 12 1
12 9 13 1
13 9 14 1
14 10 15 1
15 11 16 1
16 11 17 2
17 12 18 1
18 12 19 2
19 13 20 1
20 14 21 1
21 15 22 1
22 15 23 1 #Up
23 16 24 2
24 16 25 1
25 17 26 1
26 18 27 2
27 18 28 1
28 19 29 1
29 20 30 1
30 20 31 1 #Up
31 22 32 1
32 22 33 2
33 23 34 1
34 24 35 1
35 27 36 1
36 30 37 1 #Down
37 32 38 1
38 34 39 1
39 34 40 2
40 35 41 1
41 36 42 1
42 38 43 1
43 38 44 1 #Down
44 39 45 1
45 41 46 1
46 41 47 1 #Down
47 42 48 1
48 42 49 1 #Up
49 43 50 1
50 43 51 2
51 44 52 1
52 45 53 1
53 46 54 1
54 48 55 1 #Up
55 50 56 2
56 51 57 1
57 53 58 2
58 54 59 1
59 54 60 2
60 55 61 1
61 56 62 1
62 56 63 1
63 59 64 1
64 61 65 1
65 61 66 2
66 62 67 2
67 62 68 1
68 64 69 1 #Down
69 65 70 1
70 65 71 1 #Down
71 67 72 1
72 68 73 2
73 68 74 1
74 72 75 2
75 75 76 1
76 7 10 2
77 21 30 1
78 26 35 2
79 29 36 2
80 46 52 1 #Down
81 48 53 1
82 57 63 2
83 64 67 1
84 73 75 1
85 44 77 2
86 63 78 1
87 69 79 1
88 69 80 2
89 71 81 1
90 70 82 1
91 82 83 1
92 82 84 1
93 39 85 1 #Up
94 85 86 1
95 86 87 1
96 86 88 2
97 21 89 1 #Up
98 89 90 1
99 13 91 1 #Down
100 92 47 1 #Up
101 92 93 1
102 93 94 1
103 94 95 1
104 95 96 1
105 96 97 1
106 92 97 1
107 94 98 1 #Down
108 95 99 1 #Up
109 96 100 1 #Down
110 96 101 1 #Up
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