0 mol 7 unq 0 iso 0 dist 6.02702 11.8172 8.72114 6.58469 8.60435 16.4405 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 8.72114 11.8172 6.02702 16.4405 8.60435 6.58469 numMergedOcc 0
2 mol 8 unq 0 iso 0 dist 7.03958 12.4076 8.53529 5.7531 7.27018 8.79272 numMergedOcc 0
3 mol 8 unq 0 iso 1 dist 8.53529 12.4076 7.03958 8.79272 7.27018 5.7531 numMergedOcc 0
4 mol 8 unq 1 iso 0 dist 7.03958 10.9495 7.18019 5.7531 7.27018 7.17012 numMergedOcc 0
5 mol 8 unq 1 iso 1 dist 7.18019 10.9495 7.03958 7.17012 7.27018 5.7531 numMergedOcc 0
6 mol 8 unq 2 iso 0 dist 7.03958 8.09332 8.44009 5.7531 7.27018 6.31881 numMergedOcc 0
7 mol 8 unq 2 iso 1 dist 8.44009 8.09332 7.03958 6.31881 7.27018 5.7531 numMergedOcc 0
8 mol 8 unq 1 iso 0 dist 8.53529 8.4069 7.18019 8.79272 7.27018 7.17012 numMergedOcc 0
9 mol 8 unq 1 iso 1 dist 7.18019 8.4069 8.53529 7.17012 7.27018 8.79272 numMergedOcc 0
10 mol 8 unq 2 iso 0 dist 8.53529 12.9016 8.44009 8.79272 7.27018 6.31881 numMergedOcc 0
11 mol 8 unq 2 iso 1 dist 8.44009 12.9016 8.53529 6.31881 7.27018 8.79272 numMergedOcc 0
12 mol 8 unq 2 iso 0 dist 7.18019 6.23795 8.44009 7.17012 7.27018 6.31881 numMergedOcc 0
13 mol 8 unq 2 iso 1 dist 8.44009 6.23795 7.18019 6.31881 7.27018 7.17012 numMergedOcc 0
14 mol 9 unq 0 iso 0 dist 7.32257 6.14147 6.55811 9.87669 6.59455 11.4245 numMergedOcc 0
15 mol 9 unq 0 iso 1 dist 6.55811 6.14147 7.32257 11.4245 6.59455 9.87669 numMergedOcc 0
16 mol 9 unq 1 iso 0 dist 7.32257 10.5747 8.64915 9.87669 6.59455 14.7278 numMergedOcc 0
17 mol 9 unq 1 iso 1 dist 8.64915 10.5747 7.32257 14.7278 6.59455 9.87669 numMergedOcc 0
18 mol 9 unq 1 iso 0 dist 6.55811 5.06358 8.64915 11.4245 6.59455 14.7278 numMergedOcc 0
19 mol 9 unq 1 iso 1 dist 8.64915 5.06358 6.55811 14.7278 6.59455 11.4245 numMergedOcc 0
20 mol 19 unq 0 iso 0 dist 6.41575 5.80928 6.41423 5.18512 6.39966 9.47529 numMergedOcc 0
21 mol 19 unq 0 iso 1 dist 6.41423 5.80928 6.41575 9.47529 6.39966 5.18512 numMergedOcc 0
22 mol 24 unq 0 iso 0 dist 9.41441 11.4989 6.73939 11.1124 6.2004 10.2913 numMergedOcc 0
23 mol 24 unq 0 iso 1 dist 6.73939 11.4989 9.41441 10.2913 6.2004 11.1124 numMergedOcc 0
24 mol 24 unq 1 iso 0 dist 8.4051 15.5315 7.29868 4.33963 4.90592 12.0003 numMergedOcc 0
25 mol 24 unq 1 iso 1 dist 7.29868 15.5315 8.4051 12.0003 4.90592 4.33963 numMergedOcc 0
26 mol 24 unq 2 iso 0 dist 8.4051 15.5315 7.29868 17.4067 9.36461 6.00575 numMergedOcc 0
27 mol 24 unq 2 iso 1 dist 7.29868 15.5315 8.4051 6.00575 9.36461 17.4067 numMergedOcc 0
28 mol 24 unq 3 iso 0 dist 8.4051 14.6259 8.60554 4.33963 4.90592 11.2106 numMergedOcc 0
29 mol 24 unq 3 iso 1 dist 8.60554 14.6259 8.4051 11.2106 4.90592 4.33963 numMergedOcc 0
30 mol 24 unq 4 iso 0 dist 8.4051 14.6259 8.60554 17.4067 9.36461 5.97304 numMergedOcc 0
31 mol 24 unq 4 iso 1 dist 8.60554 14.6259 8.4051 5.97304 9.36461 17.4067 numMergedOcc 0
32 mol 24 unq 3 iso 0 dist 7.29868 10.0952 8.60554 12.0003 4.90592 11.2106 numMergedOcc 0
33 mol 24 unq 3 iso 1 dist 8.60554 10.0952 7.29868 11.2106 4.90592 12.0003 numMergedOcc 0
34 mol 24 unq 4 iso 0 dist 7.29868 10.0952 8.60554 6.00575 9.36461 5.97304 numMergedOcc 0
35 mol 24 unq 4 iso 1 dist 8.60554 10.0952 7.29868 5.97304 9.36461 6.00575 numMergedOcc 0
36 mol 24 unq 5 iso 0 dist 8.75662 14.6259 9.44691 4.33963 8.16324 11.2106 numMergedOcc 0
37 mol 24 unq 5 iso 1 dist 9.44691 14.6259 8.75662 11.2106 8.16324 4.33963 numMergedOcc 0
38 mol 92 unq 0 iso 0 dist 5.9465 5.04493 6.97962 5.69731 9.05259 4.14907 numMergedOcc 0
39 mol 92 unq 0 iso 1 dist 6.97962 5.04493 5.9465 4.14907 9.05259 5.69731 numMergedOcc 0
40 mol 92 unq 1 iso 0 dist 5.9465 9.35561 9.95342 5.69731 9.05259 11.0506 numMergedOcc 0
41 mol 92 unq 1 iso 1 dist 9.95342 9.35561 5.9465 11.0506 9.05259 5.69731 numMergedOcc 0
42 mol 92 unq 1 iso 0 dist 6.97962 12.7769 9.95342 4.14907 9.05259 11.0506 numMergedOcc 0
43 mol 92 unq 1 iso 1 dist 9.95342 12.7769 6.97962 11.0506 9.05259 4.14907 numMergedOcc 0
44 mol 98 unq 0 iso 0 dist 6.7117 8.40073 4.47349 7.32662 8.43352 6.934 numMergedOcc 0
45 mol 98 unq 0 iso 1 dist 4.47349 8.40073 6.7117 6.934 8.43352 7.32662 numMergedOcc 0
46 mol 98 unq 1 iso 0 dist 6.7117 10.2427 5.65185 7.32662 8.43352 7.17433 numMergedOcc 0
47 mol 98 unq 1 iso 1 dist 5.65185 10.2427 6.7117 7.17433 8.43352 7.32662 numMergedOcc 0
48 mol 98 unq 1 iso 0 dist 4.47349 5.02887 5.65185 6.934 8.43352 7.17433 numMergedOcc 0
49 mol 98 unq 1 iso 1 dist 5.65185 5.02887 4.47349 7.17433 8.43352 6.934 numMergedOcc 0
50 mol 119 unq 0 iso 0 dist 9.11344 4.85907 6.52773 4.99056 8.8562 3.78311 numMergedOcc 0
51 mol 119 unq 0 iso 1 dist 6.52773 4.85907 9.11344 3.78311 8.8562 4.99056 numMergedOcc 0
52 mol 130 unq 0 iso 0 dist 8.78276 4.5207 7.88805 13.4409 9.13191 9.44878 numMergedOcc 0
53 mol 130 unq 0 iso 1 dist 7.88805 4.5207 8.78276 9.44878 9.13191 13.4409 numMergedOcc 0
54 mol 130 unq 1 iso 0 dist 8.78276 8.38345 7.96646 13.4409 9.13191 14.206 numMergedOcc 0
55 mol 130 unq 1 iso 1 dist 7.96646 8.38345 8.78276 14.206 9.13191 13.4409 numMergedOcc 0
56 mol 130 unq 2 iso 0 dist 8.78276 10.5137 7.90048 13.4409 9.13191 4.28797 numMergedOcc 0
57 mol 130 unq 2 iso 1 dist 7.90048 10.5137 8.78276 4.28797 9.13191 13.4409 numMergedOcc 0
58 mol 130 unq 1 iso 0 dist 7.88805 10.0969 7.96646 9.44878 9.13191 14.206 numMergedOcc 0
59 mol 130 unq 1 iso 1 dist 7.96646 10.0969 7.88805 14.206 9.13191 9.44878 numMergedOcc 0
60 mol 130 unq 2 iso 0 dist 7.88805 7.01619 7.90048 9.44878 9.13191 4.28797 numMergedOcc 0
61 mol 130 unq 2 iso 1 dist 7.90048 7.01619 7.88805 4.28797 9.13191 9.44878 numMergedOcc 0
62 mol 130 unq 2 iso 0 dist 7.96646 10.7116 7.90048 14.206 9.13191 4.28797 numMergedOcc 0
63 mol 130 unq 2 iso 1 dist 7.90048 10.7116 7.96646 4.28797 9.13191 14.206 numMergedOcc 0
64 mol 130 unq 3 iso 0 dist 9.72053 15.1532 7.7949 6.24241 8.91311 11.6508 numMergedOcc 0
65 mol 130 unq 3 iso 1 dist 7.7949 15.1532 9.72053 11.6508 8.91311 6.24241 numMergedOcc 0
66 mol 134 unq 0 iso 0 dist 7.69991 5.00526 6.23142 13.1292 9.30061 9.4027 numMergedOcc 0
67 mol 134 unq 0 iso 1 dist 6.23142 5.00526 7.69991 9.4027 9.30061 13.1292 numMergedOcc 0
68 mol 134 unq 1 iso 0 dist 7.69991 11.3271 9.94764 13.1292 9.30061 5.12325 numMergedOcc 0
69 mol 134 unq 1 iso 1 dist 9.94764 11.3271 7.69991 5.12325 9.30061 13.1292 numMergedOcc 0
70 mol 134 unq 1 iso 0 dist 6.23142 6.81259 9.94764 9.4027 9.30061 5.12325 numMergedOcc 0
71 mol 134 unq 1 iso 1 dist 9.94764 6.81259 6.23142 5.12325 9.30061 9.4027 numMergedOcc 0
72 mol 135 unq 0 iso 0 dist 5.62052 6.57193 7.85645 5.66293 9.40325 10.1275 numMergedOcc 0
73 mol 135 unq 0 iso 1 dist 7.85645 6.57193 5.62052 10.1275 9.40325 5.66293 numMergedOcc 0
74 mol 135 unq 1 iso 0 dist 5.62052 6.57193 7.85645 7.79226 8.25527 6.99298 numMergedOcc 0
75 mol 135 unq 1 iso 1 dist 7.85645 6.57193 5.62052 6.99298 8.25527 7.79226 numMergedOcc 0
76 mol 135 unq 2 iso 0 dist 5.62052 6.57193 7.85645 13.2293 8.83856 12.8689 numMergedOcc 0
77 mol 135 unq 2 iso 1 dist 7.85645 6.57193 5.62052 12.8689 8.83856 13.2293 numMergedOcc 0
78 mol 135 unq 3 iso 0 dist 7.90563 6.57193 8.97655 5.66293 7.62606 10.1275 numMergedOcc 0
79 mol 135 unq 3 iso 1 dist 8.97655 6.57193 7.90563 10.1275 7.62606 5.66293 numMergedOcc 0
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81 mol 141 unq 0 iso 1 dist 9.70413 11.4307 9.97343 6.30121 7.64956 13.8236 numMergedOcc 0
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83 mol 171 unq 0 iso 1 dist 5.93786 4.91149 6.64834 4.44751 7.32555 6.83134 numMergedOcc 0
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85 mol 171 unq 1 iso 1 dist 8.24693 11.6409 6.64834 9.61561 7.32555 6.83134 numMergedOcc 0
86 mol 171 unq 2 iso 0 dist 6.64834 5.51687 7.36698 6.83134 7.32555 6.66219 numMergedOcc 0
87 mol 171 unq 2 iso 1 dist 7.36698 5.51687 6.64834 6.66219 7.32555 6.83134 numMergedOcc 0
88 mol 171 unq 1 iso 0 dist 5.93786 7.31409 8.24693 4.44751 7.32555 9.61561 numMergedOcc 0
89 mol 171 unq 1 iso 1 dist 8.24693 7.31409 5.93786 9.61561 7.32555 4.44751 numMergedOcc 0
90 mol 171 unq 2 iso 0 dist 5.93786 8.07119 7.36698 4.44751 7.32555 6.66219 numMergedOcc 0
91 mol 171 unq 2 iso 1 dist 7.36698 8.07119 5.93786 6.66219 7.32555 4.44751 numMergedOcc 0
92 mol 171 unq 2 iso 0 dist 8.24693 14.1033 7.36698 9.61561 7.32555 6.66219 numMergedOcc 0
93 mol 171 unq 2 iso 1 dist 7.36698 14.1033 8.24693 6.66219 7.32555 9.61561 numMergedOcc 0
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95 mol 226 unq 0 iso 1 dist 6.11704 5.16662 8.80683 6.05184 6.26945 10.142 numMergedOcc 0
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98 mol 237 unq 0 iso 0 dist 6.99315 14.5975 9.60163 6.01573 6.11495 9.59927 numMergedOcc 0
99 mol 237 unq 0 iso 1 dist 9.60163 14.5975 6.99315 9.59927 6.11495 6.01573 numMergedOcc 0
100 mol 237 unq 1 iso 0 dist 6.99315 14.5975 9.60163 15.2418 9.36216 5.12181 numMergedOcc 0
101 mol 237 unq 1 iso 1 dist 9.60163 14.5975 6.99315 5.12181 9.36216 15.2418 numMergedOcc 0
102 mol 237 unq 2 iso 0 dist 6.99315 14.5975 9.60163 15.1884 8.72819 9.52569 numMergedOcc 0
103 mol 237 unq 2 iso 1 dist 9.60163 14.5975 6.99315 9.52569 8.72819 15.1884 numMergedOcc 0
104 mol 243 unq 0 iso 0 dist 7.49645 5.37618 9.9222 11.3773 7.44706 13.3907 numMergedOcc 0
105 mol 243 unq 0 iso 1 dist 9.9222 5.37618 7.49645 13.3907 7.44706 11.3773 numMergedOcc 0
106 mol 274 unq 0 iso 0 dist 7.46394 10.501 9.45514 13.7877 7.79704 8.09454 numMergedOcc 0
107 mol 274 unq 0 iso 1 dist 9.45514 10.501 7.46394 8.09454 7.79704 13.7877 numMergedOcc 0
108 mol 274 unq 1 iso 0 dist 7.46394 10.501 9.45514 16.6011 9.39276 14.1363 numMergedOcc 0
109 mol 274 unq 1 iso 1 dist 9.45514 10.501 7.46394 14.1363 9.39276 16.6011 numMergedOcc 0
110 mol 274 unq 2 iso 0 dist 7.46394 14.3919 8.91672 13.7877 7.79704 6.23174 numMergedOcc 0
111 mol 274 unq 2 iso 1 dist 8.91672 14.3919 7.46394 6.23174 7.79704 13.7877 numMergedOcc 0
112 mol 274 unq 3 iso 0 dist 7.46394 14.3919 8.91672 16.6011 9.39276 10.9037 numMergedOcc 0
113 mol 274 unq 3 iso 1 dist 8.91672 14.3919 7.46394 10.9037 9.39276 16.6011 numMergedOcc 0
114 mol 274 unq 4 iso 0 dist 7.46394 6.15918 7.1729 13.7877 7.79704 10.0424 numMergedOcc 0
115 mol 274 unq 4 iso 1 dist 7.1729 6.15918 7.46394 10.0424 7.79704 13.7877 numMergedOcc 0
116 mol 274 unq 5 iso 0 dist 7.46394 6.15918 7.1729 16.6011 9.39276 15.375 numMergedOcc 0
117 mol 274 unq 5 iso 1 dist 7.1729 6.15918 7.46394 15.375 9.39276 16.6011 numMergedOcc 0
118 mol 274 unq 2 iso 0 dist 9.45514 11.7196 8.91672 8.09454 7.79704 6.23174 numMergedOcc 0
119 mol 274 unq 2 iso 1 dist 8.91672 11.7196 9.45514 6.23174 7.79704 8.09454 numMergedOcc 0
120 mol 274 unq 3 iso 0 dist 9.45514 11.7196 8.91672 14.1363 9.39276 10.9037 numMergedOcc 0
121 mol 274 unq 3 iso 1 dist 8.91672 11.7196 9.45514 10.9037 9.39276 14.1363 numMergedOcc 0
122 mol 274 unq 4 iso 0 dist 9.45514 6.828 7.1729 8.09454 7.79704 10.0424 numMergedOcc 0
123 mol 274 unq 4 iso 1 dist 7.1729 6.828 9.45514 10.0424 7.79704 8.09454 numMergedOcc 0
124 mol 274 unq 5 iso 0 dist 9.45514 6.828 7.1729 14.1363 9.39276 15.375 numMergedOcc 0
125 mol 274 unq 5 iso 1 dist 7.1729 6.828 9.45514 15.375 9.39276 14.1363 numMergedOcc 0
126 mol 274 unq 4 iso 0 dist 8.91672 10.0083 7.1729 6.23174 7.79704 10.0424 numMergedOcc 0
127 mol 274 unq 4 iso 1 dist 7.1729 10.0083 8.91672 10.0424 7.79704 6.23174 numMergedOcc 0
128 mol 274 unq 5 iso 0 dist 8.91672 10.0083 7.1729 10.9037 9.39276 15.375 numMergedOcc 0
129 mol 274 unq 5 iso 1 dist 7.1729 10.0083 8.91672 15.375 9.39276 10.9037 numMergedOcc 0
130 mol 274 unq 6 iso 0 dist 8.52587 11.3308 6.39866 5.90436 8.2997 10.4342 numMergedOcc 0
131 mol 274 unq 6 iso 1 dist 6.39866 11.3308 8.52587 10.4342 8.2997 5.90436 numMergedOcc 0
132 mol 278 unq 0 iso 0 dist 8.00673 8.29447 6.62841 6.54009 7.21972 5.73336 numMergedOcc 0
133 mol 278 unq 0 iso 1 dist 6.62841 8.29447 8.00673 5.73336 7.21972 6.54009 numMergedOcc 0
134 mol 284 unq 0 iso 0 dist 9.33437 5.87439 7.8343 11.8906 9.63007 6.4399 numMergedOcc 0
135 mol 284 unq 0 iso 1 dist 7.8343 5.87439 9.33437 6.4399 9.63007 11.8906 numMergedOcc 0
