0 mol 16 unq 0 iso 0 dist 9.47421 6.06561 6.58035 12.3246 10.9633 8.41862 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 5.36258 6.57145 8.23643 10.4026 12.7954 8.78293 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 5.36258 6.57145 8.23643 12.7832 11.0033 7.82528 numMergedOcc 0
3 mol 64 unq 0 iso 0 dist 8.64746 6.41829 9.54144 11.9614 6.23335 9.80142 numMergedOcc 0
4 mol 87 unq 0 iso 0 dist 7.2668 11.442 8.93296 10.1385 8.12939 7.51358 numMergedOcc 0
5 mol 119 unq 0 iso 0 dist 7.41608 5.81718 9.80862 6.36583 4.84196 8.43904 numMergedOcc 0
6 mol 119 unq 1 iso 0 dist 6.36583 6.24736 6.19042 10.0892 6.59581 9.38288 numMergedOcc 0
7 mol 119 unq 2 iso 0 dist 6.36583 6.24736 6.19042 12.6501 8.58342 7.44174 numMergedOcc 0
8 mol 119 unq 3 iso 0 dist 6.36583 5.81718 8.43904 7.41608 4.84196 9.80862 numMergedOcc 0
9 mol 127 unq 0 iso 0 dist 5.45159 13.8098 8.59981 17.9769 12.7129 7.34519 numMergedOcc 0
10 mol 127 unq 1 iso 0 dist 5.45159 12.0185 7.66331 17.9769 12.7129 8.58999 numMergedOcc 0
11 mol 127 unq 2 iso 0 dist 4.9835 11.5038 8.59981 16.5411 12.7129 7.34519 numMergedOcc 0
12 mol 127 unq 3 iso 0 dist 4.9835 12.1032 7.66331 16.5411 12.7129 8.58999 numMergedOcc 0
13 mol 155 unq 0 iso 0 dist 8.54318 10.0656 7.16254 14.9922 7.63368 9.86313 numMergedOcc 0
14 mol 155 unq 1 iso 0 dist 8.54318 12.7034 9.14392 14.9922 7.63368 7.51198 numMergedOcc 0
15 mol 194 unq 0 iso 0 dist 8.40972 5.55582 6.15769 10.0242 7.46053 5.48258 numMergedOcc 0
16 mol 194 unq 1 iso 0 dist 7.03163 6.12629 6.15769 11.1116 7.46053 5.48258 numMergedOcc 0
17 mol 220 unq 0 iso 0 dist 5.00266 6.19375 6.99002 12.6808 11.5311 6.84247 numMergedOcc 0
18 mol 224 unq 0 iso 0 dist 8.76325 6.87755 7.06793 12.0468 6.88258 6.67585 numMergedOcc 0
19 mol 224 unq 1 iso 0 dist 8.85101 11.0252 7.06793 13.64 6.88258 6.67585 numMergedOcc 0
20 mol 227 unq 0 iso 0 dist 6.37369 10.8811 9.62609 12.5474 8.55671 6.95902 numMergedOcc 0
21 mol 227 unq 1 iso 0 dist 6.20188 5.14019 5.86443 9.47836 5.76653 7.22914 numMergedOcc 0
22 mol 227 unq 2 iso 0 dist 9.47836 5.14019 7.22914 6.20188 5.76653 5.86443 numMergedOcc 0
23 mol 228 unq 0 iso 0 dist 9.91303 14.0089 9.42615 17.6368 8.57673 8.06181 numMergedOcc 0
24 mol 228 unq 1 iso 0 dist 4.55699 5.85714 9.42615 8.10816 8.57673 8.06181 numMergedOcc 0
25 mol 228 unq 2 iso 0 dist 8.10816 5.85714 8.06181 4.55699 8.57673 9.42615 numMergedOcc 0
26 mol 228 unq 3 iso 0 dist 7.81837 14.5035 8.06181 15.8957 8.57673 9.42615 numMergedOcc 0
27 mol 228 unq 4 iso 0 dist 7.95486 5.79543 7.77367 4.42593 8.22089 9.06121 numMergedOcc 0
28 mol 228 unq 5 iso 0 dist 4.42593 5.79543 9.06121 7.95486 8.22089 7.77367 numMergedOcc 0
29 mol 228 unq 6 iso 0 dist 7.97746 14.4066 7.77367 15.5327 8.22089 9.06121 numMergedOcc 0
30 mol 236 unq 0 iso 0 dist 5.77356 5.27568 7.17676 9.24309 7.88539 6.68463 numMergedOcc 0
31 mol 236 unq 1 iso 0 dist 9.24309 5.27568 6.68463 5.77356 7.88539 7.17676 numMergedOcc 0
32 mol 238 unq 0 iso 0 dist 6.40309 7.01206 7.67322 11.1838 10.677 6.55759 numMergedOcc 0
33 mol 238 unq 1 iso 0 dist 6.40309 7.01206 7.67322 9.40892 5.44694 7.02475 numMergedOcc 0
34 mol 238 unq 2 iso 0 dist 6.40309 7.01206 7.67322 11.5826 9.50847 7.19008 numMergedOcc 0
35 mol 238 unq 3 iso 0 dist 7.87164 14.8949 9.68513 11.3167 4.83721 5.9216 numMergedOcc 0
36 mol 293 unq 0 iso 0 dist 5.88449 5.67215 9.47908 7.2668 7.08365 9.97212 numMergedOcc 0
37 mol 293 unq 1 iso 0 dist 7.44889 8.36783 9.47908 12.45 7.08365 9.97212 numMergedOcc 0
38 mol 293 unq 2 iso 0 dist 5.50284 6.91752 9.47908 8.88355 7.08365 9.97212 numMergedOcc 0
39 mol 293 unq 3 iso 0 dist 8.93207 6.98777 9.97212 11.9934 7.08365 9.47908 numMergedOcc 0
40 mol 293 unq 4 iso 0 dist 7.2668 5.67215 9.97212 5.88449 7.08365 9.47908 numMergedOcc 0
41 mol 293 unq 5 iso 0 dist 8.88355 6.91752 9.97212 5.50284 7.08365 9.47908 numMergedOcc 0
