ATOM 170
1 C1y C 47.6700 -16.2400
2 C1y C 48.9300 -15.5400
3 C1y C 46.4800 -15.5400
4 O7a O 47.6700 -17.6400
5 C1y C 48.9300 -14.1400
6 N1b N 50.1200 -16.2400
7 C1y C 46.4800 -14.1400
8 O2b O 45.2200 -16.1700
9 C7a C 46.4800 -18.3400
10 O2x O 47.6700 -13.4400
11 O2a O 50.1200 -13.4400
12 C5a C 50.1200 -17.6400
13 C1b C 45.2900 -13.4400
14 P1b P 43.8200 -16.1700
15 C1b C 46.4800 -19.7400
16 O6a O 45.2200 -17.6400
17 C1b C 51.3100 -12.7400
18 C1b C 51.3100 -18.3400
19 O5a O 48.9300 -18.3400
20 O2a O 45.2900 -11.9700
21 O1c O 43.8200 -14.7700
22 O1c O 42.4200 -16.1700
23 O1c O 43.8200 -17.6400
24 C1c C 45.2900 -20.4400
25 C1y C 52.5000 -13.4400
26 C1c C 51.3100 -19.7400
27 O7a O 44.0300 -19.7400
28 C1b C 45.2900 -21.8400
29 C1y C 52.5000 -14.8400
30 O2x O 53.7600 -12.7400
31 O7a O 52.5700 -20.4400
32 C1b C 50.1200 -20.4400
33 C7a C 42.8400 -20.4400
34 C1b C 44.0300 -22.5400
35 C1y C 53.7600 -15.5400
36 O1a O 51.3100 -15.4000
37 C1y C 54.9500 -13.4400
38 C7a C 52.5700 -21.8400
39 C1b C 50.1200 -21.8400
40 C1b C 42.8400 -21.8400
41 O6a O 41.6500 -19.7400
42 C1b C 44.0300 -23.9400
43 C1y C 54.9500 -14.8400
44 O7a O 53.7600 -16.9400
45 O2b O 56.1400 -12.7400
46 C1b C 51.3100 -22.5400
47 O6a O 53.7600 -22.5400
48 C1b C 48.9300 -22.5400
49 C1b C 41.6500 -22.5400
50 C1b C 42.8400 -24.6400
51 N1b N 56.1400 -15.5400
52 P1b P 56.1400 -11.3400
53 C1b C 51.3100 -23.9400
54 C1b C 48.9300 -23.9400
55 C1b C 41.6500 -23.9400
56 C1b C 42.8400 -26.0400
57 O1c O 54.7400 -11.2700
58 O1c O 56.1400 -9.8700
59 O1c O 57.5400 -11.3400
60 C1b C 50.1200 -24.6400
61 C1b C 47.6700 -24.6400
62 C1b C 40.3900 -24.6400
63 C1b C 41.6500 -26.7400
64 C1b C 50.1200 -26.0400
65 C1b C 47.6700 -26.0400
66 C1b C 40.3900 -26.0400
67 C1b C 41.6500 -28.1400
68 C1b C 48.9300 -26.7400
69 C1b C 46.4800 -26.7400
70 C1b C 39.2000 -26.7400
71 C1b C 40.3900 -28.8400
72 C1b C 48.9300 -28.1400
73 C1b C 46.4800 -28.1400
74 C1b C 39.2000 -28.1400
75 C1b C 40.3900 -30.2400
76 C1b C 47.7400 -28.8400
77 C1b C 45.2900 -28.8400
78 C1b C 38.0100 -28.8400
79 C1b C 39.2000 -30.9400
80 C1b C 47.7400 -30.2400
81 C1b C 45.2900 -30.2400
82 C1b C 38.0100 -30.2400
83 C1a C 39.2000 -32.3400
84 C1b C 46.4800 -30.9400
85 C1a C 44.0300 -30.9400
86 C1b C 36.8200 -30.9400
87 C1b C 46.4800 -32.3400
88 C1b C 36.8200 -32.3400
89 C1a C 45.2900 -33.0400
90 C1b C 35.5600 -33.0400
91 C1a C 35.5600 -34.4400
92 C7a C 54.7400 -17.9200
93 C1b C 54.3900 -19.2500
94 C1c C 55.3700 -20.2300
95 C1b C 55.0200 -21.5600
96 C1b C 56.0000 -22.6100
97 C1b C 55.6500 -23.9400
98 C1b C 56.6300 -24.9200
99 C1b C 56.2800 -26.2500
100 C1b C 57.2600 -27.3000
101 C1b C 56.9100 -28.6300
102 C1b C 57.8900 -29.6100
103 C1b C 57.5400 -30.9400
104 C1b C 58.5200 -31.9900
105 C1a C 58.1700 -33.3200
106 O6a O 56.0700 -17.5000
107 O1a O 56.7000 -19.8800
108 C5a C 57.3300 -16.1700
109 C1b C 57.3300 -17.5700
110 C1c C 58.5900 -18.2700
111 C1b C 58.5900 -19.6700
112 C1b C 59.7800 -20.3700
113 C1b C 59.7800 -21.7700
114 C1b C 60.9700 -22.4700
115 C1b C 61.0400 -23.8700
116 C1b C 62.2300 -24.5700
117 C1b C 62.2300 -25.9700
118 C1b C 63.4200 -26.6700
119 C1b C 63.4200 -28.0700
120 C1b C 64.6800 -28.7700
121 C1a C 64.6800 -30.1700
122 O5a O 58.5900 -15.4700
123 O7a O 59.7800 -17.5700
124 C7a C 60.9700 -18.2700
125 C1b C 60.9700 -19.6700
126 C1b C 62.2300 -20.3700
127 C1b C 62.2300 -21.7700
128 C1b C 63.4200 -22.4700
129 C1b C 63.4200 -23.8700
130 C1b C 64.6800 -24.5700
131 C1b C 64.6800 -25.9700
132 C1b C 65.8700 -26.6700
133 C1b C 65.8700 -28.0700
134 C1b C 67.0600 -28.7700
135 C1b C 67.0600 -30.1700
136 C1b C 68.3200 -30.8700
137 C1b C 68.3200 -32.2700
138 C1b C 69.5100 -32.9700
139 C1a C 69.5100 -34.3700
140 O6a O 62.2300 -17.5700
141 C1z C 45.2900 -10.5700
142 C1x C 44.1000 -11.2700
143 O2x O 45.2900 -9.1700
144 C6a C 46.5500 -11.0600
145 C1y C 42.8400 -10.5700
146 C1y C 44.1000 -8.4700
147 O6a O 46.5500 -12.4600
148 O6a O 47.7400 -10.3600
149 O2a O 41.7900 -11.3400
150 C1y C 42.8400 -9.1700
151 C1c C 43.9600 -7.0700
152 C1z C 40.6000 -12.0400
153 O1a O 41.6500 -8.5400
154 C1b C 45.1500 -6.3000
155 O1a O 42.7700 -6.4400
156 O2x O 39.4100 -11.4100
157 C1x C 40.6000 -13.4400
158 C6a C 41.7900 -12.7400
159 O1a O 45.1500 -4.9000
160 C1y C 38.2200 -12.1100
161 C1y C 39.4800 -14.1400
162 O6a O 42.9800 -12.0400
163 O6a O 41.7900 -14.0700
164 C1y C 38.2200 -13.5100
165 C1c C 36.9600 -11.4100
166 O1a O 39.4800 -15.5400
167 O1a O 37.0300 -14.2100
168 C1b C 36.9600 -10.0800
169 O1a O 35.8400 -12.1800
170 O1a O 35.7700 -9.3800
BOND 173
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 1
5 2 6 1 #Down
6 3 7 1
7 3 8 1 #Down
8 4 9 1
9 5 10 1
10 5 11 1 #Up
11 6 12 1
12 7 13 1 #Up
13 8 14 1
14 9 15 1
15 9 16 2
16 11 17 1
17 12 18 1
18 12 19 2
19 13 20 1
20 14 21 1
21 14 22 1
22 14 23 2
23 15 24 1
24 25 17 1 #Up
25 18 26 1
26 24 27 1 #Up
27 24 28 1
28 25 29 1
29 25 30 1
30 26 31 1 #Down
31 26 32 1
32 27 33 1
33 28 34 1
34 29 35 1
35 29 36 1 #Down
36 30 37 1
37 31 38 1
38 32 39 1
39 33 40 1
40 33 41 2
41 34 42 1
42 35 43 1
43 35 44 1 #Up
44 37 45 1 #Down
45 38 46 1
46 38 47 2
47 39 48 1
48 40 49 1
49 42 50 1
50 43 51 1 #Down
51 45 52 1
52 46 53 1
53 48 54 1
54 49 55 1
55 50 56 1
56 52 57 1
57 52 58 1
58 52 59 2
59 53 60 1
60 54 61 1
61 55 62 1
62 56 63 1
63 60 64 1
64 61 65 1
65 62 66 1
66 63 67 1
67 64 68 1
68 65 69 1
69 66 70 1
70 67 71 1
71 68 72 1
72 69 73 1
73 70 74 1
74 71 75 1
75 72 76 1
76 73 77 1
77 74 78 1
78 75 79 1
79 76 80 1
80 77 81 1
81 78 82 1
82 79 83 1
83 80 84 1
84 81 85 1
85 82 86 1
86 84 87 1
87 86 88 1
88 87 89 1
89 88 90 1
90 90 91 1
91 7 10 1
92 37 43 1
93 44 92 1
94 92 93 1
95 93 94 1
96 94 95 1
97 95 96 1
98 96 97 1
99 97 98 1
100 98 99 1
101 99 100 1
102 100 101 1
103 101 102 1
104 102 103 1
105 103 104 1
106 104 105 1
107 92 106 2
108 94 107 1 #Down
109 51 108 1
110 108 109 1
111 109 110 1
112 110 111 1
113 111 112 1
114 112 113 1
115 113 114 1
116 114 115 1
117 115 116 1
118 116 117 1
119 117 118 1
120 118 119 1
121 119 120 1
122 120 121 1
123 108 122 2
124 110 123 1 #Down
125 123 124 1
126 124 125 1
127 125 126 1
128 126 127 1
129 127 128 1
130 128 129 1
131 129 130 1
132 130 131 1
133 131 132 1
134 132 133 1
135 133 134 1
136 134 135 1
137 135 136 1
138 136 137 1
139 137 138 1
140 138 139 1
141 124 140 2
142 20 141 1
143 141 142 1
144 141 143 1
145 141 144 1 #Up
146 142 145 1
147 143 146 1
148 144 147 1
149 144 148 2
150 145 149 1 #Up
151 145 150 1
152 146 151 1 #Up
153 152 149 1 #Down
154 150 153 1 #Up
155 151 154 1
156 151 155 1 #Down
157 152 156 1
158 152 157 1
159 152 158 1 #Up
160 154 159 1
161 156 160 1
162 157 161 1
163 158 162 1
164 158 163 2
165 160 164 1
166 160 165 1 #Up
167 161 166 1 #Up
168 164 167 1 #Up
169 165 168 1
170 165 169 1 #Down
171 168 170 1
172 146 150 1
173 161 164 1
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