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1 mol 16 unq 0 iso 1 dist 7.03948 10.7015 6.58035 6.92781 5.47769 5.32694 numMergedOcc 0
2 mol 16 unq 0 iso 2 dist 5.47769 6.92781 7.03948 5.32694 6.58035 10.7015 numMergedOcc 0
3 mol 16 unq 0 iso 3 dist 5.47769 5.32694 6.58035 6.92781 7.03948 10.7015 numMergedOcc 0
4 mol 16 unq 0 iso 4 dist 6.58035 10.7015 7.03948 5.32694 5.47769 6.92781 numMergedOcc 0
5 mol 16 unq 0 iso 5 dist 6.58035 5.32694 5.47769 10.7015 7.03948 6.92781 numMergedOcc 0
6 mol 19 unq 0 iso 0 dist 6.00439 7.83352 6.20943 10.8007 7.82528 7.67038 numMergedOcc 0
7 mol 19 unq 0 iso 1 dist 6.00439 10.8007 7.82528 7.83352 6.20943 7.67038 numMergedOcc 0
8 mol 19 unq 0 iso 2 dist 6.20943 7.83352 6.00439 7.67038 7.82528 10.8007 numMergedOcc 0
9 mol 19 unq 0 iso 3 dist 6.20943 7.67038 7.82528 7.83352 6.00439 10.8007 numMergedOcc 0
10 mol 19 unq 0 iso 4 dist 7.82528 10.8007 6.00439 7.67038 6.20943 7.83352 numMergedOcc 0
11 mol 19 unq 0 iso 5 dist 7.82528 7.67038 6.20943 10.8007 6.00439 7.83352 numMergedOcc 0
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13 mol 45 unq 0 iso 1 dist 7.06308 5.48601 9.43442 5.24762 6.34173 5.101 numMergedOcc 0
14 mol 45 unq 0 iso 2 dist 6.34173 5.24762 7.06308 5.101 9.43442 5.48601 numMergedOcc 0
15 mol 45 unq 0 iso 3 dist 6.34173 5.101 9.43442 5.24762 7.06308 5.48601 numMergedOcc 0
16 mol 45 unq 0 iso 4 dist 9.43442 5.48601 7.06308 5.101 6.34173 5.24762 numMergedOcc 0
17 mol 45 unq 0 iso 5 dist 9.43442 5.101 6.34173 5.48601 7.06308 5.24762 numMergedOcc 0
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19 mol 58 unq 0 iso 1 dist 6.40841 5.90225 6.31428 11.0466 7.58407 6.47414 numMergedOcc 0
20 mol 58 unq 0 iso 2 dist 7.58407 11.0466 6.40841 6.47414 6.31428 5.90225 numMergedOcc 0
21 mol 58 unq 0 iso 3 dist 7.58407 6.47414 6.31428 11.0466 6.40841 5.90225 numMergedOcc 0
22 mol 58 unq 0 iso 4 dist 6.31428 5.90225 6.40841 6.47414 7.58407 11.0466 numMergedOcc 0
23 mol 58 unq 0 iso 5 dist 6.31428 6.47414 7.58407 5.90225 6.40841 11.0466 numMergedOcc 0
24 mol 58 unq 1 iso 0 dist 8.63333 5.35073 8.89374 10.8153 6.46761 8.62958 numMergedOcc 0
25 mol 58 unq 1 iso 1 dist 8.63333 10.8153 6.46761 5.35073 8.89374 8.62958 numMergedOcc 0
26 mol 58 unq 1 iso 2 dist 8.89374 5.35073 8.63333 8.62958 6.46761 10.8153 numMergedOcc 0
27 mol 58 unq 1 iso 3 dist 8.89374 8.62958 6.46761 5.35073 8.63333 10.8153 numMergedOcc 0
28 mol 58 unq 1 iso 4 dist 6.46761 10.8153 8.63333 8.62958 8.89374 5.35073 numMergedOcc 0
29 mol 58 unq 1 iso 5 dist 6.46761 8.62958 8.89374 10.8153 8.63333 5.35073 numMergedOcc 0
30 mol 58 unq 2 iso 0 dist 8.63333 5.35073 8.89374 14.5953 9.73139 14.176 numMergedOcc 0
31 mol 58 unq 2 iso 1 dist 8.63333 14.5953 9.73139 5.35073 8.89374 14.176 numMergedOcc 0
32 mol 58 unq 2 iso 2 dist 8.89374 5.35073 8.63333 14.176 9.73139 14.5953 numMergedOcc 0
33 mol 58 unq 2 iso 3 dist 8.89374 14.176 9.73139 5.35073 8.63333 14.5953 numMergedOcc 0
34 mol 58 unq 2 iso 4 dist 9.73139 14.5953 8.63333 14.176 8.89374 5.35073 numMergedOcc 0
35 mol 58 unq 2 iso 5 dist 9.73139 14.176 8.89374 14.5953 8.63333 5.35073 numMergedOcc 0
36 mol 58 unq 2 iso 0 dist 8.63333 10.8153 6.46761 14.5953 9.73139 6.47414 numMergedOcc 0
37 mol 58 unq 2 iso 1 dist 8.63333 14.5953 9.73139 10.8153 6.46761 6.47414 numMergedOcc 0
38 mol 58 unq 2 iso 2 dist 6.46761 10.8153 8.63333 6.47414 9.73139 14.5953 numMergedOcc 0
39 mol 58 unq 2 iso 3 dist 6.46761 6.47414 9.73139 10.8153 8.63333 14.5953 numMergedOcc 0
40 mol 58 unq 2 iso 4 dist 9.73139 14.5953 8.63333 6.47414 6.46761 10.8153 numMergedOcc 0
41 mol 58 unq 2 iso 5 dist 9.73139 6.47414 6.46761 14.5953 8.63333 10.8153 numMergedOcc 0
42 mol 58 unq 2 iso 0 dist 8.89374 8.62958 6.46761 14.176 9.73139 6.47414 numMergedOcc 0
43 mol 58 unq 2 iso 1 dist 8.89374 14.176 9.73139 8.62958 6.46761 6.47414 numMergedOcc 0
44 mol 58 unq 2 iso 2 dist 6.46761 8.62958 8.89374 6.47414 9.73139 14.176 numMergedOcc 0
45 mol 58 unq 2 iso 3 dist 6.46761 6.47414 9.73139 8.62958 8.89374 14.176 numMergedOcc 0
46 mol 58 unq 2 iso 4 dist 9.73139 14.176 8.89374 6.47414 6.46761 8.62958 numMergedOcc 0
47 mol 58 unq 2 iso 5 dist 9.73139 6.47414 6.46761 14.176 8.89374 8.62958 numMergedOcc 0
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49 mol 73 unq 0 iso 1 dist 8.70133 5.4148 4.65521 7.4697 5.64598 5.7113 numMergedOcc 0
50 mol 73 unq 0 iso 2 dist 5.64598 7.4697 8.70133 5.7113 4.65521 5.4148 numMergedOcc 0
51 mol 73 unq 0 iso 3 dist 5.64598 5.7113 4.65521 7.4697 8.70133 5.4148 numMergedOcc 0
52 mol 73 unq 0 iso 4 dist 4.65521 5.4148 8.70133 5.7113 5.64598 7.4697 numMergedOcc 0
53 mol 73 unq 0 iso 5 dist 4.65521 5.7113 5.64598 5.4148 8.70133 7.4697 numMergedOcc 0
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55 mol 92 unq 0 iso 1 dist 5.81965 8.95922 9.70512 5.02055 7.06013 12.4494 numMergedOcc 0
56 mol 92 unq 0 iso 2 dist 7.06013 5.02055 5.81965 12.4494 9.70512 8.95922 numMergedOcc 0
57 mol 92 unq 0 iso 3 dist 7.06013 12.4494 9.70512 5.02055 5.81965 8.95922 numMergedOcc 0
58 mol 92 unq 0 iso 4 dist 9.70512 8.95922 5.81965 12.4494 7.06013 5.02055 numMergedOcc 0
59 mol 92 unq 0 iso 5 dist 9.70512 12.4494 7.06013 8.95922 5.81965 5.02055 numMergedOcc 0
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61 mol 119 unq 0 iso 1 dist 7.39889 11.3169 7.44174 11.6667 9.63176 12.4603 numMergedOcc 0
62 mol 119 unq 0 iso 2 dist 9.63176 11.6667 7.39889 12.4603 7.44174 11.3169 numMergedOcc 0
63 mol 119 unq 0 iso 3 dist 9.63176 12.4603 7.44174 11.6667 7.39889 11.3169 numMergedOcc 0
64 mol 119 unq 0 iso 4 dist 7.44174 11.3169 7.39889 12.4603 9.63176 11.6667 numMergedOcc 0
65 mol 119 unq 0 iso 5 dist 7.44174 12.4603 9.63176 11.3169 7.39889 11.6667 numMergedOcc 0
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67 mol 127 unq 0 iso 1 dist 6.192 11.279 8.59981 5.30124 7.69308 11.4958 numMergedOcc 0
68 mol 127 unq 0 iso 2 dist 7.69308 5.30124 6.192 11.4958 8.59981 11.279 numMergedOcc 0
69 mol 127 unq 0 iso 3 dist 7.69308 11.4958 8.59981 5.30124 6.192 11.279 numMergedOcc 0
70 mol 127 unq 0 iso 4 dist 8.59981 11.279 6.192 11.4958 7.69308 5.30124 numMergedOcc 0
71 mol 127 unq 0 iso 5 dist 8.59981 11.4958 7.69308 11.279 6.192 5.30124 numMergedOcc 0
72 mol 127 unq 1 iso 0 dist 6.192 5.30124 7.69308 8.77327 7.66331 11.521 numMergedOcc 0
73 mol 127 unq 1 iso 1 dist 6.192 8.77327 7.66331 5.30124 7.69308 11.521 numMergedOcc 0
74 mol 127 unq 1 iso 2 dist 7.69308 5.30124 6.192 11.521 7.66331 8.77327 numMergedOcc 0
75 mol 127 unq 1 iso 3 dist 7.69308 11.521 7.66331 5.30124 6.192 8.77327 numMergedOcc 0
76 mol 127 unq 1 iso 4 dist 7.66331 8.77327 6.192 11.521 7.69308 5.30124 numMergedOcc 0
77 mol 127 unq 1 iso 5 dist 7.66331 11.521 7.69308 8.77327 6.192 5.30124 numMergedOcc 0
78 mol 127 unq 1 iso 0 dist 6.192 11.279 8.59981 8.77327 7.66331 5.55757 numMergedOcc 0
79 mol 127 unq 1 iso 1 dist 6.192 8.77327 7.66331 11.279 8.59981 5.55757 numMergedOcc 0
80 mol 127 unq 1 iso 2 dist 8.59981 11.279 6.192 5.55757 7.66331 8.77327 numMergedOcc 0
81 mol 127 unq 1 iso 3 dist 8.59981 5.55757 7.66331 11.279 6.192 8.77327 numMergedOcc 0
82 mol 127 unq 1 iso 4 dist 7.66331 8.77327 6.192 5.55757 8.59981 11.279 numMergedOcc 0
83 mol 127 unq 1 iso 5 dist 7.66331 5.55757 8.59981 8.77327 6.192 11.279 numMergedOcc 0
84 mol 127 unq 1 iso 0 dist 7.69308 11.4958 8.59981 11.521 7.66331 5.55757 numMergedOcc 0
85 mol 127 unq 1 iso 1 dist 7.69308 11.521 7.66331 11.4958 8.59981 5.55757 numMergedOcc 0
86 mol 127 unq 1 iso 2 dist 8.59981 11.4958 7.69308 5.55757 7.66331 11.521 numMergedOcc 0
87 mol 127 unq 1 iso 3 dist 8.59981 5.55757 7.66331 11.4958 7.69308 11.521 numMergedOcc 0
88 mol 127 unq 1 iso 4 dist 7.66331 11.521 7.69308 5.55757 8.59981 11.4958 numMergedOcc 0
89 mol 127 unq 1 iso 5 dist 7.66331 5.55757 8.59981 11.521 7.69308 11.4958 numMergedOcc 0
90 mol 127 unq 2 iso 0 dist 7.34519 5.55757 8.58999 6.16471 6.63981 4.48524 numMergedOcc 0
91 mol 127 unq 2 iso 1 dist 7.34519 6.16471 6.63981 5.55757 8.58999 4.48524 numMergedOcc 0
92 mol 127 unq 2 iso 2 dist 8.58999 5.55757 7.34519 4.48524 6.63981 6.16471 numMergedOcc 0
93 mol 127 unq 2 iso 3 dist 8.58999 4.48524 6.63981 5.55757 7.34519 6.16471 numMergedOcc 0
94 mol 127 unq 2 iso 4 dist 6.63981 6.16471 7.34519 4.48524 8.58999 5.55757 numMergedOcc 0
95 mol 127 unq 2 iso 5 dist 6.63981 4.48524 8.58999 6.16471 7.34519 5.55757 numMergedOcc 0
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99 mol 130 unq 0 iso 3 dist 7.66168 7.50049 6.89257 7.01619 6.79146 6.83397 numMergedOcc 0
100 mol 130 unq 0 iso 4 dist 6.89257 6.83397 6.79146 7.50049 7.66168 7.01619 numMergedOcc 0
101 mol 130 unq 0 iso 5 dist 6.89257 7.50049 7.66168 6.83397 6.79146 7.01619 numMergedOcc 0
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103 mol 134 unq 0 iso 1 dist 8.79571 8.80819 8.6355 5.49782 5.42582 5.00817 numMergedOcc 0
104 mol 134 unq 0 iso 2 dist 5.42582 5.49782 8.79571 5.00817 8.6355 8.80819 numMergedOcc 0
105 mol 134 unq 0 iso 3 dist 5.42582 5.00817 8.6355 5.49782 8.79571 8.80819 numMergedOcc 0
106 mol 134 unq 0 iso 4 dist 8.6355 8.80819 8.79571 5.00817 5.42582 5.49782 numMergedOcc 0
107 mol 134 unq 0 iso 5 dist 8.6355 5.00817 5.42582 8.80819 8.79571 5.49782 numMergedOcc 0
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109 mol 155 unq 0 iso 1 dist 9.17284 12.1545 8.87452 10.6882 9.87281 4.66274 numMergedOcc 0
110 mol 155 unq 0 iso 2 dist 9.87281 10.6882 9.17284 4.66274 8.87452 12.1545 numMergedOcc 0
111 mol 155 unq 0 iso 3 dist 9.87281 4.66274 8.87452 10.6882 9.17284 12.1545 numMergedOcc 0
112 mol 155 unq 0 iso 4 dist 8.87452 12.1545 9.17284 4.66274 9.87281 10.6882 numMergedOcc 0
113 mol 155 unq 0 iso 5 dist 8.87452 4.66274 9.87281 12.1545 9.17284 10.6882 numMergedOcc 0
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115 mol 156 unq 0 iso 1 dist 8.47155 7.60354 7.55203 5.76755 9.36805 8.38403 numMergedOcc 0
116 mol 156 unq 0 iso 2 dist 9.36805 5.76755 8.47155 8.38403 7.55203 7.60354 numMergedOcc 0
117 mol 156 unq 0 iso 3 dist 9.36805 8.38403 7.55203 5.76755 8.47155 7.60354 numMergedOcc 0
118 mol 156 unq 0 iso 4 dist 7.55203 7.60354 8.47155 8.38403 9.36805 5.76755 numMergedOcc 0
119 mol 156 unq 0 iso 5 dist 7.55203 8.38403 9.36805 7.60354 8.47155 5.76755 numMergedOcc 0
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121 mol 173 unq 0 iso 1 dist 7.93331 5.16343 8.31897 4.83994 6.98095 8.17887 numMergedOcc 0
122 mol 173 unq 0 iso 2 dist 6.98095 4.83994 7.93331 8.17887 8.31897 5.16343 numMergedOcc 0
123 mol 173 unq 0 iso 3 dist 6.98095 8.17887 8.31897 4.83994 7.93331 5.16343 numMergedOcc 0
124 mol 173 unq 0 iso 4 dist 8.31897 5.16343 7.93331 8.17887 6.98095 4.83994 numMergedOcc 0
125 mol 173 unq 0 iso 5 dist 8.31897 8.17887 6.98095 5.16343 7.93331 4.83994 numMergedOcc 0
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127 mol 194 unq 0 iso 1 dist 6.95408 10.5623 9.2285 8.2172 9.57538 4.53419 numMergedOcc 0
128 mol 194 unq 0 iso 2 dist 9.57538 8.2172 6.95408 4.53419 9.2285 10.5623 numMergedOcc 0
129 mol 194 unq 0 iso 3 dist 9.57538 4.53419 9.2285 8.2172 6.95408 10.5623 numMergedOcc 0
130 mol 194 unq 0 iso 4 dist 9.2285 10.5623 6.95408 4.53419 9.57538 8.2172 numMergedOcc 0
131 mol 194 unq 0 iso 5 dist 9.2285 4.53419 9.57538 10.5623 6.95408 8.2172 numMergedOcc 0
132 mol 194 unq 1 iso 0 dist 6.95408 8.2172 9.57538 11.7618 7.58278 8.12479 numMergedOcc 0
133 mol 194 unq 1 iso 1 dist 6.95408 11.7618 7.58278 8.2172 9.57538 8.12479 numMergedOcc 0
134 mol 194 unq 1 iso 2 dist 9.57538 8.2172 6.95408 8.12479 7.58278 11.7618 numMergedOcc 0
135 mol 194 unq 1 iso 3 dist 9.57538 8.12479 7.58278 8.2172 6.95408 11.7618 numMergedOcc 0
136 mol 194 unq 1 iso 4 dist 7.58278 11.7618 6.95408 8.12479 9.57538 8.2172 numMergedOcc 0
137 mol 194 unq 1 iso 5 dist 7.58278 8.12479 9.57538 11.7618 6.95408 8.2172 numMergedOcc 0
138 mol 194 unq 1 iso 0 dist 6.95408 10.5623 9.2285 11.7618 7.58278 4.40125 numMergedOcc 0
139 mol 194 unq 1 iso 1 dist 6.95408 11.7618 7.58278 10.5623 9.2285 4.40125 numMergedOcc 0
140 mol 194 unq 1 iso 2 dist 9.2285 10.5623 6.95408 4.40125 7.58278 11.7618 numMergedOcc 0
141 mol 194 unq 1 iso 3 dist 9.2285 4.40125 7.58278 10.5623 6.95408 11.7618 numMergedOcc 0
142 mol 194 unq 1 iso 4 dist 7.58278 11.7618 6.95408 4.40125 9.2285 10.5623 numMergedOcc 0
143 mol 194 unq 1 iso 5 dist 7.58278 4.40125 9.2285 11.7618 6.95408 10.5623 numMergedOcc 0
144 mol 194 unq 1 iso 0 dist 9.57538 4.53419 9.2285 8.12479 7.58278 4.40125 numMergedOcc 0
145 mol 194 unq 1 iso 1 dist 9.57538 8.12479 7.58278 4.53419 9.2285 4.40125 numMergedOcc 0
146 mol 194 unq 1 iso 2 dist 9.2285 4.53419 9.57538 4.40125 7.58278 8.12479 numMergedOcc 0
147 mol 194 unq 1 iso 3 dist 9.2285 4.40125 7.58278 4.53419 9.57538 8.12479 numMergedOcc 0
148 mol 194 unq 1 iso 4 dist 7.58278 8.12479 9.57538 4.40125 9.2285 4.53419 numMergedOcc 0
149 mol 194 unq 1 iso 5 dist 7.58278 4.40125 9.2285 8.12479 9.57538 4.53419 numMergedOcc 0
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151 mol 228 unq 0 iso 1 dist 8.06181 11.1899 7.65132 5.43096 8.38048 7.09673 numMergedOcc 0
152 mol 228 unq 0 iso 2 dist 8.38048 5.43096 8.06181 7.09673 7.65132 11.1899 numMergedOcc 0
153 mol 228 unq 0 iso 3 dist 8.38048 7.09673 7.65132 5.43096 8.06181 11.1899 numMergedOcc 0
154 mol 228 unq 0 iso 4 dist 7.65132 11.1899 8.06181 7.09673 8.38048 5.43096 numMergedOcc 0
155 mol 228 unq 0 iso 5 dist 7.65132 7.09673 8.38048 11.1899 8.06181 5.43096 numMergedOcc 0
156 mol 228 unq 1 iso 0 dist 8.06181 5.43096 8.38048 5.93014 8.53764 6.61579 numMergedOcc 0
157 mol 228 unq 1 iso 1 dist 8.06181 5.93014 8.53764 5.43096 8.38048 6.61579 numMergedOcc 0
158 mol 228 unq 1 iso 2 dist 8.38048 5.43096 8.06181 6.61579 8.53764 5.93014 numMergedOcc 0
159 mol 228 unq 1 iso 3 dist 8.38048 6.61579 8.53764 5.43096 8.06181 5.93014 numMergedOcc 0
160 mol 228 unq 1 iso 4 dist 8.53764 5.93014 8.06181 6.61579 8.38048 5.43096 numMergedOcc 0
161 mol 228 unq 1 iso 5 dist 8.53764 6.61579 8.38048 5.93014 8.06181 5.43096 numMergedOcc 0
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163 mol 228 unq 1 iso 1 dist 8.06181 5.93014 8.53764 11.1899 7.65132 10.2985 numMergedOcc 0
164 mol 228 unq 1 iso 2 dist 7.65132 11.1899 8.06181 10.2985 8.53764 5.93014 numMergedOcc 0
165 mol 228 unq 1 iso 3 dist 7.65132 10.2985 8.53764 11.1899 8.06181 5.93014 numMergedOcc 0
166 mol 228 unq 1 iso 4 dist 8.53764 5.93014 8.06181 10.2985 7.65132 11.1899 numMergedOcc 0
167 mol 228 unq 1 iso 5 dist 8.53764 10.2985 7.65132 5.93014 8.06181 11.1899 numMergedOcc 0
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169 mol 228 unq 1 iso 1 dist 8.38048 6.61579 8.53764 7.09673 7.65132 10.2985 numMergedOcc 0
170 mol 228 unq 1 iso 2 dist 7.65132 7.09673 8.38048 10.2985 8.53764 6.61579 numMergedOcc 0
171 mol 228 unq 1 iso 3 dist 7.65132 10.2985 8.53764 7.09673 8.38048 6.61579 numMergedOcc 0
172 mol 228 unq 1 iso 4 dist 8.53764 6.61579 8.38048 10.2985 7.65132 7.09673 numMergedOcc 0
173 mol 228 unq 1 iso 5 dist 8.53764 10.2985 7.65132 6.61579 8.38048 7.09673 numMergedOcc 0
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175 mol 228 unq 2 iso 1 dist 7.77367 11.3702 7.94506 5.42695 8.20909 7.22215 numMergedOcc 0
176 mol 228 unq 2 iso 2 dist 8.20909 5.42695 7.77367 7.22215 7.94506 11.3702 numMergedOcc 0
177 mol 228 unq 2 iso 3 dist 8.20909 7.22215 7.94506 5.42695 7.77367 11.3702 numMergedOcc 0
178 mol 228 unq 2 iso 4 dist 7.94506 11.3702 7.77367 7.22215 8.20909 5.42695 numMergedOcc 0
179 mol 228 unq 2 iso 5 dist 7.94506 7.22215 8.20909 11.3702 7.77367 5.42695 numMergedOcc 0
180 mol 228 unq 3 iso 0 dist 7.77367 5.42695 8.20909 6.001 8.15494 6.44695 numMergedOcc 0
181 mol 228 unq 3 iso 1 dist 7.77367 6.001 8.15494 5.42695 8.20909 6.44695 numMergedOcc 0
182 mol 228 unq 3 iso 2 dist 8.20909 5.42695 7.77367 6.44695 8.15494 6.001 numMergedOcc 0
183 mol 228 unq 3 iso 3 dist 8.20909 6.44695 8.15494 5.42695 7.77367 6.001 numMergedOcc 0
184 mol 228 unq 3 iso 4 dist 8.15494 6.001 7.77367 6.44695 8.20909 5.42695 numMergedOcc 0
185 mol 228 unq 3 iso 5 dist 8.15494 6.44695 8.20909 6.001 7.77367 5.42695 numMergedOcc 0
186 mol 228 unq 3 iso 0 dist 7.77367 11.3702 7.94506 6.001 8.15494 10.3635 numMergedOcc 0
187 mol 228 unq 3 iso 1 dist 7.77367 6.001 8.15494 11.3702 7.94506 10.3635 numMergedOcc 0
188 mol 228 unq 3 iso 2 dist 7.94506 11.3702 7.77367 10.3635 8.15494 6.001 numMergedOcc 0
189 mol 228 unq 3 iso 3 dist 7.94506 10.3635 8.15494 11.3702 7.77367 6.001 numMergedOcc 0
190 mol 228 unq 3 iso 4 dist 8.15494 6.001 7.77367 10.3635 7.94506 11.3702 numMergedOcc 0
191 mol 228 unq 3 iso 5 dist 8.15494 10.3635 7.94506 6.001 7.77367 11.3702 numMergedOcc 0
192 mol 228 unq 3 iso 0 dist 8.20909 7.22215 7.94506 6.44695 8.15494 10.3635 numMergedOcc 0
193 mol 228 unq 3 iso 1 dist 8.20909 6.44695 8.15494 7.22215 7.94506 10.3635 numMergedOcc 0
194 mol 228 unq 3 iso 2 dist 7.94506 7.22215 8.20909 10.3635 8.15494 6.44695 numMergedOcc 0
195 mol 228 unq 3 iso 3 dist 7.94506 10.3635 8.15494 7.22215 8.20909 6.44695 numMergedOcc 0
196 mol 228 unq 3 iso 4 dist 8.15494 6.44695 8.20909 10.3635 7.94506 7.22215 numMergedOcc 0
197 mol 228 unq 3 iso 5 dist 8.15494 10.3635 7.94506 6.44695 8.20909 7.22215 numMergedOcc 0
198 mol 235 unq 0 iso 0 dist 9.58736 9.85037 9.43058 13.6669 8.75735 5.52217 numMergedOcc 0
199 mol 235 unq 0 iso 1 dist 9.58736 13.6669 8.75735 9.85037 9.43058 5.52217 numMergedOcc 0
200 mol 235 unq 0 iso 2 dist 9.43058 9.85037 9.58736 5.52217 8.75735 13.6669 numMergedOcc 0
201 mol 235 unq 0 iso 3 dist 9.43058 5.52217 8.75735 9.85037 9.58736 13.6669 numMergedOcc 0
202 mol 235 unq 0 iso 4 dist 8.75735 13.6669 9.58736 5.52217 9.43058 9.85037 numMergedOcc 0
203 mol 235 unq 0 iso 5 dist 8.75735 5.52217 9.43058 13.6669 9.58736 9.85037 numMergedOcc 0
204 mol 235 unq 1 iso 0 dist 9.58736 9.85037 9.43058 16.4493 6.98084 14.4362 numMergedOcc 0
205 mol 235 unq 1 iso 1 dist 9.58736 16.4493 6.98084 9.85037 9.43058 14.4362 numMergedOcc 0
206 mol 235 unq 1 iso 2 dist 9.43058 9.85037 9.58736 14.4362 6.98084 16.4493 numMergedOcc 0
207 mol 235 unq 1 iso 3 dist 9.43058 14.4362 6.98084 9.85037 9.58736 16.4493 numMergedOcc 0
208 mol 235 unq 1 iso 4 dist 6.98084 16.4493 9.58736 14.4362 9.43058 9.85037 numMergedOcc 0
209 mol 235 unq 1 iso 5 dist 6.98084 14.4362 9.43058 16.4493 9.58736 9.85037 numMergedOcc 0
210 mol 235 unq 2 iso 0 dist 9.58736 9.85037 9.43058 15.4 7.32211 14.4107 numMergedOcc 0
211 mol 235 unq 2 iso 1 dist 9.58736 15.4 7.32211 9.85037 9.43058 14.4107 numMergedOcc 0
212 mol 235 unq 2 iso 2 dist 9.43058 9.85037 9.58736 14.4107 7.32211 15.4 numMergedOcc 0
213 mol 235 unq 2 iso 3 dist 9.43058 14.4107 7.32211 9.85037 9.58736 15.4 numMergedOcc 0
214 mol 235 unq 2 iso 4 dist 7.32211 15.4 9.58736 14.4107 9.43058 9.85037 numMergedOcc 0
215 mol 235 unq 2 iso 5 dist 7.32211 14.4107 9.43058 15.4 9.58736 9.85037 numMergedOcc 0
216 mol 235 unq 1 iso 0 dist 9.58736 13.6669 8.75735 16.4493 6.98084 11.3519 numMergedOcc 0
217 mol 235 unq 1 iso 1 dist 9.58736 16.4493 6.98084 13.6669 8.75735 11.3519 numMergedOcc 0
218 mol 235 unq 1 iso 2 dist 8.75735 13.6669 9.58736 11.3519 6.98084 16.4493 numMergedOcc 0
219 mol 235 unq 1 iso 3 dist 8.75735 11.3519 6.98084 13.6669 9.58736 16.4493 numMergedOcc 0
220 mol 235 unq 1 iso 4 dist 6.98084 16.4493 9.58736 11.3519 8.75735 13.6669 numMergedOcc 0
221 mol 235 unq 1 iso 5 dist 6.98084 11.3519 8.75735 16.4493 9.58736 13.6669 numMergedOcc 0
222 mol 235 unq 2 iso 0 dist 9.58736 13.6669 8.75735 15.4 7.32211 11.3789 numMergedOcc 0
223 mol 235 unq 2 iso 1 dist 9.58736 15.4 7.32211 13.6669 8.75735 11.3789 numMergedOcc 0
224 mol 235 unq 2 iso 2 dist 8.75735 13.6669 9.58736 11.3789 7.32211 15.4 numMergedOcc 0
225 mol 235 unq 2 iso 3 dist 8.75735 11.3789 7.32211 13.6669 9.58736 15.4 numMergedOcc 0
226 mol 235 unq 2 iso 4 dist 7.32211 15.4 9.58736 11.3789 8.75735 13.6669 numMergedOcc 0
227 mol 235 unq 2 iso 5 dist 7.32211 11.3789 8.75735 15.4 9.58736 13.6669 numMergedOcc 0
228 mol 235 unq 2 iso 0 dist 9.58736 16.4493 6.98084 15.4 7.32211 7.218 numMergedOcc 0
229 mol 235 unq 2 iso 1 dist 9.58736 15.4 7.32211 16.4493 6.98084 7.218 numMergedOcc 0
230 mol 235 unq 2 iso 2 dist 6.98084 16.4493 9.58736 7.218 7.32211 15.4 numMergedOcc 0
231 mol 235 unq 2 iso 3 dist 6.98084 7.218 7.32211 16.4493 9.58736 15.4 numMergedOcc 0
232 mol 235 unq 2 iso 4 dist 7.32211 15.4 9.58736 7.218 6.98084 16.4493 numMergedOcc 0
233 mol 235 unq 2 iso 5 dist 7.32211 7.218 6.98084 15.4 9.58736 16.4493 numMergedOcc 0
234 mol 235 unq 1 iso 0 dist 9.43058 5.52217 8.75735 14.4362 6.98084 11.3519 numMergedOcc 0
235 mol 235 unq 1 iso 1 dist 9.43058 14.4362 6.98084 5.52217 8.75735 11.3519 numMergedOcc 0
236 mol 235 unq 1 iso 2 dist 8.75735 5.52217 9.43058 11.3519 6.98084 14.4362 numMergedOcc 0
237 mol 235 unq 1 iso 3 dist 8.75735 11.3519 6.98084 5.52217 9.43058 14.4362 numMergedOcc 0
238 mol 235 unq 1 iso 4 dist 6.98084 14.4362 9.43058 11.3519 8.75735 5.52217 numMergedOcc 0
239 mol 235 unq 1 iso 5 dist 6.98084 11.3519 8.75735 14.4362 9.43058 5.52217 numMergedOcc 0
240 mol 235 unq 2 iso 0 dist 9.43058 5.52217 8.75735 14.4107 7.32211 11.3789 numMergedOcc 0
241 mol 235 unq 2 iso 1 dist 9.43058 14.4107 7.32211 5.52217 8.75735 11.3789 numMergedOcc 0
242 mol 235 unq 2 iso 2 dist 8.75735 5.52217 9.43058 11.3789 7.32211 14.4107 numMergedOcc 0
243 mol 235 unq 2 iso 3 dist 8.75735 11.3789 7.32211 5.52217 9.43058 14.4107 numMergedOcc 0
244 mol 235 unq 2 iso 4 dist 7.32211 14.4107 9.43058 11.3789 8.75735 5.52217 numMergedOcc 0
245 mol 235 unq 2 iso 5 dist 7.32211 11.3789 8.75735 14.4107 9.43058 5.52217 numMergedOcc 0
246 mol 235 unq 2 iso 0 dist 9.43058 14.4362 6.98084 14.4107 7.32211 7.218 numMergedOcc 0
247 mol 235 unq 2 iso 1 dist 9.43058 14.4107 7.32211 14.4362 6.98084 7.218 numMergedOcc 0
248 mol 235 unq 2 iso 2 dist 6.98084 14.4362 9.43058 7.218 7.32211 14.4107 numMergedOcc 0
249 mol 235 unq 2 iso 3 dist 6.98084 7.218 7.32211 14.4362 9.43058 14.4107 numMergedOcc 0
250 mol 235 unq 2 iso 4 dist 7.32211 14.4107 9.43058 7.218 6.98084 14.4362 numMergedOcc 0
251 mol 235 unq 2 iso 5 dist 7.32211 7.218 6.98084 14.4107 9.43058 14.4362 numMergedOcc 0
252 mol 235 unq 2 iso 0 dist 8.75735 11.3519 6.98084 11.3789 7.32211 7.218 numMergedOcc 0
253 mol 235 unq 2 iso 1 dist 8.75735 11.3789 7.32211 11.3519 6.98084 7.218 numMergedOcc 0
254 mol 235 unq 2 iso 2 dist 6.98084 11.3519 8.75735 7.218 7.32211 11.3789 numMergedOcc 0
255 mol 235 unq 2 iso 3 dist 6.98084 7.218 7.32211 11.3519 8.75735 11.3789 numMergedOcc 0
256 mol 235 unq 2 iso 4 dist 7.32211 11.3789 8.75735 7.218 6.98084 11.3519 numMergedOcc 0
257 mol 235 unq 2 iso 5 dist 7.32211 7.218 6.98084 11.3789 8.75735 11.3519 numMergedOcc 0
258 mol 238 unq 0 iso 0 dist 6.05141 5.6348 8.09066 8.87326 7.2766 5.31152 numMergedOcc 0
259 mol 238 unq 0 iso 1 dist 6.05141 8.87326 7.2766 5.6348 8.09066 5.31152 numMergedOcc 0
260 mol 238 unq 0 iso 2 dist 8.09066 5.6348 6.05141 5.31152 7.2766 8.87326 numMergedOcc 0
261 mol 238 unq 0 iso 3 dist 8.09066 5.31152 7.2766 5.6348 6.05141 8.87326 numMergedOcc 0
262 mol 238 unq 0 iso 4 dist 7.2766 8.87326 6.05141 5.31152 8.09066 5.6348 numMergedOcc 0
263 mol 238 unq 0 iso 5 dist 7.2766 5.31152 8.09066 8.87326 6.05141 5.6348 numMergedOcc 0
264 mol 276 unq 0 iso 0 dist 9.38971 8.62129 8.71541 8.88126 8.76347 5.50479 numMergedOcc 0
265 mol 276 unq 0 iso 1 dist 9.38971 8.88126 8.76347 8.62129 8.71541 5.50479 numMergedOcc 0
266 mol 276 unq 0 iso 2 dist 8.71541 8.62129 9.38971 5.50479 8.76347 8.88126 numMergedOcc 0
267 mol 276 unq 0 iso 3 dist 8.71541 5.50479 8.76347 8.62129 9.38971 8.88126 numMergedOcc 0
268 mol 276 unq 0 iso 4 dist 8.76347 8.88126 9.38971 5.50479 8.71541 8.62129 numMergedOcc 0
269 mol 276 unq 0 iso 5 dist 8.76347 5.50479 8.71541 8.88126 9.38971 8.62129 numMergedOcc 0
270 mol 282 unq 0 iso 0 dist 6.85028 5.39891 7.32347 7.76539 8.3411 10.5372 numMergedOcc 0
271 mol 282 unq 0 iso 1 dist 6.85028 7.76539 8.3411 5.39891 7.32347 10.5372 numMergedOcc 0
272 mol 282 unq 0 iso 2 dist 7.32347 5.39891 6.85028 10.5372 8.3411 7.76539 numMergedOcc 0
273 mol 282 unq 0 iso 3 dist 7.32347 10.5372 8.3411 5.39891 6.85028 7.76539 numMergedOcc 0
274 mol 282 unq 0 iso 4 dist 8.3411 7.76539 6.85028 10.5372 7.32347 5.39891 numMergedOcc 0
275 mol 282 unq 0 iso 5 dist 8.3411 10.5372 7.32347 7.76539 6.85028 5.39891 numMergedOcc 0
