0 mol 7 unq 0 iso 0 dist 9.28571 15.3822 7.11539 10.1987 5.37308 6.02702 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.28571 15.3822 7.11539 17.036 9.17482 8.72114 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 8.05125 10.7937 7.11539 12.8628 5.37308 6.02702 numMergedOcc 0
3 mol 7 unq 3 iso 0 dist 8.05125 10.7937 7.11539 7.15434 9.17482 8.72114 numMergedOcc 0
4 mol 30 unq 0 iso 0 dist 8.18794 5.9029 9.81761 7.53042 4.43881 7.12365 numMergedOcc 0
5 mol 30 unq 1 iso 0 dist 8.18794 5.9029 9.81761 11.534 9.17153 8.1284 numMergedOcc 0
6 mol 64 unq 0 iso 0 dist 5.45684 6.11938 5.94373 11.8671 7.26966 9.97159 numMergedOcc 0
7 mol 64 unq 1 iso 0 dist 7.76644 4.43442 5.94373 10.9973 7.26966 9.97159 numMergedOcc 0
8 mol 81 unq 0 iso 0 dist 6.9055 4.79923 6.42707 10.1274 7.54641 5.65974 numMergedOcc 0
9 mol 98 unq 0 iso 0 dist 7.88143 4.81103 7.67564 5.85841 4.04716 5.78706 numMergedOcc 0
10 mol 98 unq 1 iso 0 dist 7.88143 4.81103 7.67564 11.1652 8.87226 7.23884 numMergedOcc 0
11 mol 98 unq 2 iso 0 dist 7.88143 4.81103 7.67564 7.00285 13.0429 5.59328 numMergedOcc 0
12 mol 98 unq 3 iso 0 dist 7.88143 4.81103 7.67564 11.8527 13.699 7.5242 numMergedOcc 0
13 mol 98 unq 4 iso 0 dist 6.62952 4.81103 8.60103 5.85841 4.75433 5.78706 numMergedOcc 0
14 mol 98 unq 5 iso 0 dist 6.62952 4.81103 8.60103 11.1652 10.9049 7.23884 numMergedOcc 0
15 mol 98 unq 6 iso 0 dist 6.62952 4.81103 8.60103 7.00285 11.5098 5.59328 numMergedOcc 0
16 mol 98 unq 7 iso 0 dist 6.62952 4.81103 8.60103 11.8527 15.8069 7.5242 numMergedOcc 0
17 mol 98 unq 8 iso 0 dist 4.3521 7.22196 8.60103 6.78839 4.75433 5.78706 numMergedOcc 0
18 mol 98 unq 9 iso 0 dist 4.3521 7.22196 8.60103 11.1321 10.9049 7.23884 numMergedOcc 0
19 mol 98 unq 10 iso 0 dist 4.3521 7.22196 8.60103 8.02354 11.5098 5.59328 numMergedOcc 0
20 mol 98 unq 11 iso 0 dist 4.3521 7.22196 8.60103 13.7128 15.8069 7.5242 numMergedOcc 0
21 mol 125 unq 0 iso 0 dist 8.44933 5.61158 8.74577 13.4106 11.9415 9.08382 numMergedOcc 0
22 mol 125 unq 1 iso 0 dist 8.44933 5.61158 8.74577 13.7275 15.2717 9.3778 numMergedOcc 0
23 mol 125 unq 2 iso 0 dist 8.44933 5.61158 8.74577 12.0365 9.71964 7.47069 numMergedOcc 0
24 mol 125 unq 3 iso 0 dist 7.43803 6.27138 9.94322 13.4106 13.0245 8.76789 numMergedOcc 0
25 mol 125 unq 4 iso 0 dist 7.43803 6.27138 9.94322 13.7275 15.5695 7.73435 numMergedOcc 0
26 mol 125 unq 5 iso 0 dist 7.43803 5.61158 9.7728 13.4106 13.0245 9.08382 numMergedOcc 0
27 mol 125 unq 6 iso 0 dist 7.43803 5.61158 9.7728 13.7275 15.5695 9.3778 numMergedOcc 0
28 mol 125 unq 7 iso 0 dist 7.43803 5.61158 9.7728 12.0365 13.3502 7.47069 numMergedOcc 0
29 mol 125 unq 8 iso 0 dist 8.75402 11.1934 8.35871 13.6357 5.14447 8.76789 numMergedOcc 0
30 mol 125 unq 9 iso 0 dist 8.75402 11.1934 8.35871 13.0388 6.10523 7.73435 numMergedOcc 0
31 mol 125 unq 10 iso 0 dist 8.75402 7.74181 6.75122 13.6357 5.14447 9.08382 numMergedOcc 0
32 mol 125 unq 11 iso 0 dist 8.75402 7.74181 6.75122 13.0388 6.10523 9.3778 numMergedOcc 0
33 mol 125 unq 12 iso 0 dist 8.75402 7.74181 6.75122 7.76202 5.87414 7.47069 numMergedOcc 0
34 mol 125 unq 13 iso 0 dist 8.48363 6.46489 8.35871 10.231 5.14447 8.76789 numMergedOcc 0
35 mol 125 unq 14 iso 0 dist 8.48363 6.46489 8.35871 6.03557 6.10523 7.73435 numMergedOcc 0
36 mol 125 unq 15 iso 0 dist 8.48363 8.27647 6.75122 10.231 5.14447 9.08382 numMergedOcc 0
37 mol 125 unq 16 iso 0 dist 8.48363 8.27647 6.75122 6.03557 6.10523 9.3778 numMergedOcc 0
38 mol 125 unq 17 iso 0 dist 8.48363 8.27647 6.75122 13.084 5.87414 7.47069 numMergedOcc 0
39 mol 156 unq 0 iso 0 dist 5.50879 5.309 8.75305 10.6253 10.6289 7.30357 numMergedOcc 0
40 mol 156 unq 1 iso 0 dist 5.50879 6.07262 5.13522 10.6253 10.6289 8.61587 numMergedOcc 0
41 mol 156 unq 2 iso 0 dist 6.69157 11.9245 8.75305 10.9888 10.6289 7.30357 numMergedOcc 0
42 mol 156 unq 3 iso 0 dist 6.69157 6.25291 5.13522 10.9888 10.6289 8.61587 numMergedOcc 0
43 mol 162 unq 0 iso 0 dist 9.68937 12.5317 5.99212 14.4304 5.00649 6.45896 numMergedOcc 0
44 mol 162 unq 1 iso 0 dist 6.3981 8.33986 5.99212 10.1407 5.00649 6.45896 numMergedOcc 0
45 mol 171 unq 0 iso 0 dist 8.42643 5.68701 7.61144 12.2067 10.307 8.1344 numMergedOcc 0
46 mol 171 unq 1 iso 0 dist 8.42643 5.68701 7.61144 7.13441 5.60928 6.71356 numMergedOcc 0
47 mol 174 unq 0 iso 0 dist 9.56869 10.981 8.39178 6.04817 4.69892 8.87569 numMergedOcc 0
48 mol 174 unq 1 iso 0 dist 9.56869 13.6211 7.54918 6.04817 4.69892 9.87122 numMergedOcc 0
49 mol 186 unq 0 iso 0 dist 9.60838 12.2214 8.91143 17.5247 11.3133 7.66165 numMergedOcc 0
50 mol 204 unq 0 iso 0 dist 9.23669 10.389 7.59757 15.8109 10.2677 7.32294 numMergedOcc 0
51 mol 209 unq 0 iso 0 dist 8.12326 5.78532 8.64079 6.14896 7.61997 6.85935 numMergedOcc 0
52 mol 209 unq 1 iso 0 dist 7.37014 4.84945 8.64079 9.12289 7.61997 6.85935 numMergedOcc 0
53 mol 209 unq 2 iso 0 dist 8.20431 5.54278 8.64079 10.795 7.61997 6.85935 numMergedOcc 0
54 mol 209 unq 3 iso 0 dist 8.8886 5.54278 8.76128 10.795 8.42394 6.85935 numMergedOcc 0
55 mol 209 unq 4 iso 0 dist 8.78565 9.814 8.76128 14.4808 8.42394 6.85935 numMergedOcc 0
56 mol 212 unq 0 iso 0 dist 7.98724 12.3018 6.80332 10.0663 5.3615 9.74144 numMergedOcc 0
57 mol 212 unq 1 iso 0 dist 7.98724 12.9081 7.64336 10.0663 5.3615 7.15603 numMergedOcc 0
58 mol 229 unq 0 iso 0 dist 9.42877 5.52902 8.70049 12.1289 8.43758 8.66332 numMergedOcc 0
59 mol 238 unq 0 iso 0 dist 5.77828 5.11183 9.49129 5.67917 5.65008 7.57812 numMergedOcc 0
60 mol 238 unq 1 iso 0 dist 5.77828 5.11183 9.49129 12.6253 14.6188 9.24557 numMergedOcc 0
61 mol 238 unq 2 iso 0 dist 5.77828 6.32646 6.80544 5.67917 5.65008 8.69104 numMergedOcc 0
62 mol 273 unq 0 iso 0 dist 7.84151 5.63899 9.16554 10.3979 4.77695 8.83865 numMergedOcc 0
63 mol 273 unq 1 iso 0 dist 7.84151 5.63899 9.16554 13.3402 10.3543 9.18157 numMergedOcc 0
64 mol 273 unq 2 iso 0 dist 7.346 11.3048 9.16554 11.4082 4.77695 8.83865 numMergedOcc 0
65 mol 273 unq 3 iso 0 dist 7.346 11.3048 9.16554 16.4065 10.3543 9.18157 numMergedOcc 0
66 mol 273 unq 4 iso 0 dist 7.85797 5.63899 9.65597 10.3979 15.0014 8.83865 numMergedOcc 0
67 mol 273 unq 5 iso 0 dist 7.85797 5.63899 9.65597 13.3402 16.3813 9.18157 numMergedOcc 0
68 mol 292 unq 0 iso 0 dist 9.60309 6.28133 9.5144 15.3076 15.5391 9.88863 numMergedOcc 0
