ATOM 141
1 C1d C 16.1000 -18.3400
2 C1b C 16.1000 -16.9400
3 C1b C 17.5000 -18.3400
4 C1b C 14.7000 -18.3400
5 C1b C 16.1000 -19.7400
6 N1b N 14.9100 -16.2400
7 N1b N 18.2000 -17.1500
8 N1b N 14.0000 -19.5300
9 N1b N 17.2900 -20.4400
10 C5a C 14.9100 -14.8400
11 C5a C 12.6000 -19.5300
12 C5a C 17.2900 -21.8400
13 C5a C 19.6000 -17.1500
14 O5a O 11.9000 -18.3400
15 C1b C 11.9000 -20.7200
16 N1b N 10.5000 -20.7200
17 O5a O 16.1000 -22.5400
18 C1b C 18.4800 -22.5400
19 O5a O 20.3000 -18.3400
20 C1b C 20.3000 -15.9600
21 N1b N 21.7000 -15.9600
22 O5a O 16.1000 -14.1400
23 C1b C 13.7200 -14.1400
24 N1b N 13.7200 -12.7400
25 N1b N 18.4800 -23.9400
26 O7x O 5.3200 -10.2900 #-
27 C7x C 6.0200 -11.5500
28 C1x C 7.4200 -11.5500
29 N1y N 8.1200 -10.2900
30 C1y C 11.6200 -11.5500
31 C5x C 13.0200 -11.5500
32 O2x O 13.7200 -10.3600
33 N1y N 10.9200 -10.3600
34 N1y N 8.1200 -7.4900
35 C1x C 7.4200 -6.3000
36 C7x C 6.0200 -6.3000
37 O7x O 5.3200 -7.4900 #-
38 O7x O 13.7200 -7.4900 #-
39 C7x C 13.0200 -6.3000
40 C1x C 11.6200 -6.3000
41 N1y N 10.9200 -7.4900
42 C1x C 12.1100 -9.6600
43 C1x C 12.1100 -8.2600
44 C1x C 8.8200 -11.5500
45 C1x C 10.2200 -11.5500
46 C1x C 6.8600 -8.1900
47 C1x C 6.8600 -9.5900
48 C1x C 10.2200 -6.3000
49 C1x C 8.8200 -6.3000
50 O6a O 13.7200 -5.1100
51 O6a O 5.3200 -12.7400
52 O6a O 5.3200 -5.1100
53 C1a C 10.9200 -12.8100
54 Z Gd 9.1000 -9.0300 #3+
55 O7x O 30.1000 -13.5100 #-
56 C7x C 29.4000 -14.7700
57 C1x C 28.0000 -14.7700
58 N1y N 27.3000 -13.5100
59 C1y C 23.8000 -14.7700
60 C5x C 22.4000 -14.7700
61 O2x O 21.7000 -13.5800
62 N1y N 24.5000 -13.5800
63 N1y N 27.3000 -10.7100
64 C1x C 28.0000 -9.5200
65 C7x C 29.4000 -9.5200
66 O7x O 30.1000 -10.7100 #-
67 O7x O 21.7000 -10.7100 #-
68 C7x C 22.4000 -9.5200
69 C1x C 23.8000 -9.5200
70 N1y N 24.5000 -10.7100
71 C1x C 23.3100 -12.8800
72 C1x C 23.3100 -11.4800
73 C1x C 26.6000 -14.7700
74 C1x C 25.2000 -14.7700
75 C1x C 28.5600 -11.4100
76 C1x C 28.5600 -12.8100
77 C1x C 25.2000 -9.5200
78 C1x C 26.6000 -9.5200
79 O6a O 21.7000 -8.3300
80 O6a O 30.1000 -15.9600
81 O6a O 30.1000 -8.3300
82 C1a C 24.5000 -16.0300
83 Z Gd 25.6200 -12.2500 #3+
84 O7x O 2.1000 -23.1700 #-
85 C7x C 2.8000 -21.9100
86 C1x C 4.2000 -21.9100
87 N1y N 4.9000 -23.1700
88 C1y C 8.4000 -21.9100
89 C5x C 9.8000 -21.9100
90 O2x O 10.5000 -23.1000
91 N1y N 7.7000 -23.1000
92 N1y N 4.9000 -25.9700
93 C1x C 4.2000 -27.1600
94 C7x C 2.8000 -27.1600
95 O7x O 2.1000 -25.9700 #-
96 O7x O 10.5000 -25.9700 #-
97 C7x C 9.8000 -27.1600
98 C1x C 8.4000 -27.1600
99 N1y N 7.7000 -25.9700
100 C1x C 8.8900 -23.8000
101 C1x C 8.8900 -25.2000
102 C1x C 5.6000 -21.9100
103 C1x C 7.0000 -21.9100
104 C1x C 3.6400 -25.2700
105 C1x C 3.6400 -23.8700
106 C1x C 7.0000 -27.1600
107 C1x C 5.6000 -27.1600
108 O6a O 10.5000 -28.3500
109 O6a O 2.1000 -20.7200
110 O6a O 2.1000 -28.3500
111 C1a C 7.7000 -20.6500
112 Z Gd 5.9500 -24.6400 #3+
113 O7x O 26.8800 -26.3900 #-
114 C7x C 26.1800 -25.1300
115 C1x C 24.7800 -25.1300
116 N1y N 24.0800 -26.3900
117 C1y C 20.5800 -25.1300
118 C5x C 19.1800 -25.1300
119 O2x O 18.4800 -26.3200
120 N1y N 21.2800 -26.3200
121 N1y N 24.0800 -29.1900
122 C1x C 24.7800 -30.3800
123 C7x C 26.1800 -30.3800
124 O7x O 26.8800 -29.1900 #-
125 O7x O 18.4800 -29.1900 #-
126 C7x C 19.1800 -30.3800
127 C1x C 20.5800 -30.3800
128 N1y N 21.2800 -29.1900
129 C1x C 20.0900 -27.0200
130 C1x C 20.0900 -28.4200
131 C1x C 23.3800 -25.1300
132 C1x C 21.9800 -25.1300
133 C1x C 25.3400 -28.4900
134 C1x C 25.3400 -27.0900
135 C1x C 21.9800 -30.3800
136 C1x C 23.3800 -30.3800
137 O6a O 18.4800 -31.5700
138 O6a O 26.8800 -23.9400
139 O6a O 26.8800 -31.5700
140 C1a C 21.2800 -23.8700
141 Z Gd 22.3300 -27.7900 #3+
BOND 156
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1
5 2 6 1
6 3 7 1
7 4 8 1
8 5 9 1
9 6 10 1
10 8 11 1
11 9 12 1
12 7 13 1
13 11 14 2
14 11 15 1
15 15 16 1
16 12 17 2
17 12 18 1
18 13 19 2
19 13 20 1
20 20 21 1
21 10 22 2
22 10 23 1
23 23 24 1
24 18 25 1
25 40 41 1
26 28 29 1
27 33 42 1
28 42 43 1
29 43 41 1
30 26 27 1
31 29 44 1
32 44 45 1
33 45 33 1
34 34 35 1
35 35 36 1
36 46 47 1
37 47 29 1
38 34 46 1
39 36 37 1
40 27 28 1
41 41 48 1
42 48 49 1
43 49 34 1
44 30 31 1
45 39 50 2
46 31 32 2
47 31 24 1
48 33 30 1
49 27 51 2
50 38 39 1
51 36 52 2
52 39 40 1
53 30 53 1
54 32 54 1
55 26 54 1
56 54 37 1
57 38 54 1
58 69 70 1
59 57 58 1
60 62 71 1
61 71 72 1
62 72 70 1
63 55 56 1
64 58 73 1
65 73 74 1
66 74 62 1
67 63 64 1
68 64 65 1
69 75 76 1
70 76 58 1
71 63 75 1
72 65 66 1
73 56 57 1
74 70 77 1
75 77 78 1
76 78 63 1
77 59 60 1
78 68 79 2
79 60 61 2
80 60 21 1
81 62 59 1
82 56 80 2
83 67 68 1
84 65 81 2
85 68 69 1
86 59 82 1
87 61 83 1
88 55 83 1
89 83 66 1
90 67 83 1
91 98 99 1
92 86 87 1
93 91 100 1
94 100 101 1
95 101 99 1
96 84 85 1
97 87 102 1
98 102 103 1
99 103 91 1
100 92 93 1
101 93 94 1
102 104 105 1
103 105 87 1
104 92 104 1
105 94 95 1
106 85 86 1
107 99 106 1
108 106 107 1
109 107 92 1
110 88 89 1
111 97 108 2
112 89 90 2
113 89 16 1
114 91 88 1
115 85 109 2
116 96 97 1
117 94 110 2
118 97 98 1
119 88 111 1
120 90 112 1
121 84 112 1
122 112 95 1
123 96 112 1
124 127 128 1
125 115 116 1
126 120 129 1
127 129 130 1
128 130 128 1
129 113 114 1
130 116 131 1
131 131 132 1
132 132 120 1
133 121 122 1
134 122 123 1
135 133 134 1
136 134 116 1
137 121 133 1
138 123 124 1
139 114 115 1
140 128 135 1
141 135 136 1
142 136 121 1
143 117 118 1
144 126 137 2
145 118 119 2
146 118 25 1
147 120 117 1
148 114 138 2
149 125 126 1
150 123 139 2
151 126 127 1
152 117 140 1
153 119 141 1
154 113 141 1
155 141 124 1
156 125 141 1
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