0 mol 5 unq 0 iso 0 dist 7.15734 8.88048 13.8842 6.93063 10.0814 4.29021 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 7.15734 8.88048 13.8842 7.86627 9.58245 7.05039 numMergedOcc 0
2 mol 30 unq 0 iso 0 dist 7.83595 8.204 10.5615 7.75449 5.38833 6.73037 numMergedOcc 0
3 mol 91 unq 0 iso 0 dist 5.78962 8.91354 7.47242 9.00799 7.15588 9.01897 numMergedOcc 0
4 mol 91 unq 1 iso 0 dist 5.78962 8.91354 7.47242 6.29207 8.74291 9.40413 numMergedOcc 0
5 mol 105 unq 0 iso 0 dist 8.80388 6.11833 5.89806 8.85561 7.75467 8.22851 numMergedOcc 0
6 mol 105 unq 1 iso 0 dist 7.28156 6.11833 6.96209 8.85561 4.32716 8.22851 numMergedOcc 0
7 mol 127 unq 0 iso 0 dist 8.98151 5.83719 8.21735 7.34368 11.2884 4.49551 numMergedOcc 0
8 mol 148 unq 0 iso 0 dist 9.71692 9.18753 11.8278 8.21863 7.81081 4.11931 numMergedOcc 0
9 mol 150 unq 0 iso 0 dist 9.73708 9.15244 11.6537 8.16324 7.57411 4.16002 numMergedOcc 0
10 mol 158 unq 0 iso 0 dist 7.07348 9.96635 10.9312 7.41387 6.86194 4.1393 numMergedOcc 0
11 mol 162 unq 0 iso 0 dist 8.954 6.59407 7.84996 9.98649 10.8238 8.04855 numMergedOcc 0
12 mol 165 unq 0 iso 0 dist 9.59989 6.85551 9.94274 4.46402 11.4693 8.22717 numMergedOcc 0
13 mol 186 unq 0 iso 0 dist 9.94142 8.46819 8.05438 7.39604 14.6184 8.8081 numMergedOcc 0
14 mol 198 unq 0 iso 0 dist 4.58291 8.51153 3.96154 9.44266 6.86808 6.00243 numMergedOcc 0
15 mol 220 unq 0 iso 0 dist 7.35148 6.39087 11.4142 8.01243 5.72234 9.77953 numMergedOcc 0
16 mol 220 unq 1 iso 0 dist 7.35148 6.39087 11.4142 9.55264 13.2318 12.8065 numMergedOcc 0
17 mol 220 unq 2 iso 0 dist 7.57712 5.25149 10.1832 6.57898 5.80442 5.79012 numMergedOcc 0
18 mol 220 unq 3 iso 0 dist 7.57712 8.6368 13.4455 6.57898 5.80442 12.4207 numMergedOcc 0
19 mol 220 unq 4 iso 0 dist 7.20255 5.25149 9.96224 6.57898 6.80972 5.79012 numMergedOcc 0
20 mol 220 unq 5 iso 0 dist 7.20255 8.6368 8.70221 6.57898 6.80972 12.4207 numMergedOcc 0
21 mol 220 unq 6 iso 0 dist 7.57716 6.50756 8.34243 9.1318 5.68462 5.26215 numMergedOcc 0
22 mol 220 unq 7 iso 0 dist 8.98362 6.50756 5.82963 9.1318 10.8062 5.26215 numMergedOcc 0
23 mol 224 unq 0 iso 0 dist 5.97988 8.81063 10.0093 5.74939 3.8619 7.41418 numMergedOcc 0
24 mol 224 unq 1 iso 0 dist 9.37276 8.81063 4.19878 5.74939 5.30197 7.41418 numMergedOcc 0
25 mol 230 unq 0 iso 0 dist 6.88683 9.24729 11.0843 7.5725 5.71181 6.72933 numMergedOcc 0
26 mol 239 unq 0 iso 0 dist 8.34832 8.48545 14.2079 7.55125 15.3356 5.89242 numMergedOcc 0
27 mol 245 unq 0 iso 0 dist 7.26913 9.96585 6.25662 9.99553 8.4059 14.6353 numMergedOcc 0
28 mol 245 unq 1 iso 0 dist 7.26913 7.27022 4.38291 9.99553 8.4059 11.485 numMergedOcc 0
29 mol 245 unq 2 iso 0 dist 7.26913 7.95061 11.8346 9.99553 8.4059 12.8603 numMergedOcc 0
30 mol 245 unq 3 iso 0 dist 6.41862 9.96585 14.6391 9.99553 10.2813 14.6353 numMergedOcc 0
31 mol 245 unq 4 iso 0 dist 6.41862 7.27022 10.1523 9.99553 10.2813 11.485 numMergedOcc 0
32 mol 245 unq 5 iso 0 dist 6.41862 7.95061 3.53109 9.99553 10.2813 12.8603 numMergedOcc 0
33 mol 245 unq 6 iso 0 dist 8.69377 9.96585 17.4904 9.99553 7.4192 14.6353 numMergedOcc 0
34 mol 245 unq 7 iso 0 dist 8.69377 7.27022 13.6404 9.99553 7.4192 11.485 numMergedOcc 0
35 mol 245 unq 8 iso 0 dist 8.69377 7.95061 9.71014 9.99553 7.4192 12.8603 numMergedOcc 0
36 mol 258 unq 0 iso 0 dist 8.57305 6.33567 5.00751 5.75291 10.1386 5.36508 numMergedOcc 0
37 mol 258 unq 1 iso 0 dist 8.57305 6.33567 5.00751 7.17822 10.3067 8.97107 numMergedOcc 0
38 mol 265 unq 0 iso 0 dist 9.50814 7.52632 3.89234 7.29987 5.87866 6.85532 numMergedOcc 0
39 mol 266 unq 0 iso 0 dist 9.77392 9.0836 16.492 9.27812 14.8466 4.07542 numMergedOcc 0
40 mol 266 unq 1 iso 0 dist 9.77392 9.62494 18.9489 9.27812 14.8466 8.72214 numMergedOcc 0
