0 mol 16 unq 0 iso 0 dist 9.47421 6.06561 6.58035 12.3246 10.9633 8.41862 8.02077 12.1189 5.74188 8.16785 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 5.36258 6.57145 8.23643 12.7832 11.0033 7.82528 15.2051 14.2119 10.8007 6.00439 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 5.36258 6.57145 8.23643 12.7832 11.0033 7.82528 14.1404 14.6255 7.67038 6.20943 numMergedOcc 0
3 mol 87 unq 0 iso 0 dist 7.2668 11.442 8.93296 10.1385 8.12939 7.51358 14.0818 14.2495 7.40574 8.32298 numMergedOcc 0
4 mol 119 unq 0 iso 0 dist 7.41608 5.81718 9.80862 6.36583 4.84196 8.43904 6.24736 10.2144 9.22558 6.19042 numMergedOcc 0
5 mol 119 unq 1 iso 0 dist 6.36583 6.24736 6.19042 12.6501 8.58342 7.44174 17.4734 15.1819 11.3169 7.39889 numMergedOcc 0
6 mol 119 unq 2 iso 0 dist 6.36583 6.24736 6.19042 12.6501 8.58342 7.44174 15.6832 14.0269 12.4603 9.63176 numMergedOcc 0
7 mol 127 unq 0 iso 0 dist 5.45159 13.8098 8.59981 17.9769 12.7129 7.34519 12.0185 7.66331 5.55757 8.58999 numMergedOcc 0
8 mol 127 unq 1 iso 0 dist 5.45159 13.8098 8.59981 17.9769 12.7129 7.34519 16.4487 11.7596 6.16471 6.63981 numMergedOcc 0
9 mol 127 unq 2 iso 0 dist 5.45159 12.0185 7.66331 17.9769 12.7129 8.58999 13.8098 8.59981 5.55757 7.34519 numMergedOcc 0
10 mol 127 unq 3 iso 0 dist 5.45159 12.0185 7.66331 17.9769 12.7129 8.58999 16.4487 11.7596 4.48524 6.63981 numMergedOcc 0
11 mol 127 unq 4 iso 0 dist 4.9835 11.5038 8.59981 16.5411 12.7129 7.34519 12.1032 7.66331 5.55757 8.58999 numMergedOcc 0
12 mol 127 unq 5 iso 0 dist 4.9835 11.5038 8.59981 16.5411 12.7129 7.34519 15.9828 11.7596 6.16471 6.63981 numMergedOcc 0
13 mol 127 unq 6 iso 0 dist 4.9835 12.1032 7.66331 16.5411 12.7129 8.58999 11.5038 8.59981 5.55757 7.34519 numMergedOcc 0
14 mol 127 unq 7 iso 0 dist 4.9835 12.1032 7.66331 16.5411 12.7129 8.58999 15.9828 11.7596 4.48524 6.63981 numMergedOcc 0
15 mol 155 unq 0 iso 0 dist 8.54318 10.0656 7.16254 14.9922 7.63368 9.86313 12.7034 9.14392 5.71071 7.51198 numMergedOcc 0
16 mol 155 unq 1 iso 0 dist 8.54318 12.7034 9.14392 14.9922 7.63368 7.51198 10.0656 7.16254 5.71071 9.86313 numMergedOcc 0
17 mol 224 unq 0 iso 0 dist 8.76325 6.87755 7.06793 12.0468 6.88258 6.67585 9.28732 10.0414 4.70378 6.65984 numMergedOcc 0
18 mol 224 unq 1 iso 0 dist 8.85101 11.0252 7.06793 13.64 6.88258 6.67585 12.8423 10.0414 4.70378 6.65984 numMergedOcc 0
19 mol 227 unq 0 iso 0 dist 6.37369 10.8811 9.62609 12.5474 8.55671 6.95902 15.9389 13.4493 5.22356 8.17891 numMergedOcc 0
20 mol 228 unq 0 iso 0 dist 9.91303 14.0089 9.42615 17.6368 8.57673 8.06181 18.6374 12.7909 5.43096 8.38048 numMergedOcc 0
21 mol 228 unq 1 iso 0 dist 9.91303 14.0089 9.42615 17.6368 8.57673 8.06181 23.2785 14.9859 11.1899 7.65132 numMergedOcc 0
22 mol 228 unq 2 iso 0 dist 9.91303 14.0089 9.42615 17.6368 8.57673 8.06181 19.1499 13.6165 5.93014 8.53764 numMergedOcc 0
23 mol 228 unq 3 iso 0 dist 4.55699 5.85714 9.42615 8.10816 8.57673 8.06181 10.5025 12.7909 5.43096 8.38048 numMergedOcc 0
24 mol 228 unq 4 iso 0 dist 4.55699 5.85714 9.42615 8.10816 8.57673 8.06181 14.2891 14.9859 11.1899 7.65132 numMergedOcc 0
25 mol 228 unq 5 iso 0 dist 4.55699 5.85714 9.42615 8.10816 8.57673 8.06181 10.0386 13.6165 5.93014 8.53764 numMergedOcc 0
26 mol 228 unq 6 iso 0 dist 4.42593 5.79543 9.06121 7.95486 8.22089 7.77367 10.4968 12.4332 5.42695 8.20909 numMergedOcc 0
27 mol 228 unq 7 iso 0 dist 4.42593 5.79543 9.06121 7.95486 8.22089 7.77367 14.5051 14.7666 11.3702 7.94506 numMergedOcc 0
28 mol 228 unq 8 iso 0 dist 4.42593 5.79543 9.06121 7.95486 8.22089 7.77367 10.0847 13.3068 6.001 8.15494 numMergedOcc 0
29 mol 236 unq 0 iso 0 dist 9.24309 5.27568 6.68463 5.77356 7.88539 7.17676 7.77821 10.5713 7.28249 5.34718 numMergedOcc 0
30 mol 238 unq 0 iso 0 dist 6.40309 7.01206 7.67322 11.1838 10.677 6.55759 9.76195 12.0632 5.42006 5.38637 numMergedOcc 0
31 mol 238 unq 1 iso 0 dist 6.40309 7.01206 7.67322 9.40892 5.44694 7.02475 15.9674 10.0552 12.9854 8.96531 numMergedOcc 0
32 mol 238 unq 2 iso 0 dist 6.40309 7.01206 7.67322 11.5826 9.50847 7.19008 10.2489 12.1937 5.34096 7.49471 numMergedOcc 0
33 mol 238 unq 3 iso 0 dist 7.87164 14.8949 9.68513 11.3167 4.83721 5.9216 18.211 12.5477 5.40359 9.90142 numMergedOcc 0
34 mol 293 unq 0 iso 0 dist 8.93207 6.98777 9.97212 11.9934 7.08365 9.47908 16.9869 14.1253 10.9721 8.56847 numMergedOcc 0
35 mol 293 unq 1 iso 0 dist 7.2668 5.67215 9.97212 5.88449 7.08365 9.47908 11.4201 14.1253 10.9721 8.56847 numMergedOcc 0
36 mol 293 unq 2 iso 0 dist 8.88355 6.91752 9.97212 5.50284 7.08365 9.47908 5.66805 14.1253 10.9721 8.56847 numMergedOcc 0
