0 mol 5 unq 0 iso 0 dist 9.13041 7.44029 12.2037 4.07788 11.385 7.95876 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 9.43038 7.44029 10.5084 4.07788 13.2951 7.95876 numMergedOcc 0
2 mol 11 unq 0 iso 0 dist 7.95811 6.50001 6.56765 3.77561 10.604 6.54358 numMergedOcc 0
3 mol 25 unq 0 iso 0 dist 7.05148 8.27137 11.0175 5.59268 7.92503 4.79873 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 8.99751 9.90986 5.29055 14.3129 13.6548 9.12845 numMergedOcc 0
5 mol 26 unq 1 iso 0 dist 9.44507 9.90986 4.76998 14.3129 10.3756 9.12845 numMergedOcc 0
6 mol 46 unq 0 iso 0 dist 9.27409 8.55202 4.07933 4.53545 11.5014 9.9787 numMergedOcc 0
7 mol 78 unq 0 iso 0 dist 9.4486 7.32064 8.39195 7.17843 11.4999 6.85523 numMergedOcc 0
8 mol 78 unq 1 iso 0 dist 9.4486 7.32064 8.39195 13.1649 15.5721 8.65848 numMergedOcc 0
9 mol 78 unq 2 iso 0 dist 9.4486 5.85007 7.71963 7.17843 11.4999 5.77326 numMergedOcc 0
10 mol 95 unq 0 iso 0 dist 9.49995 9.70292 5.88327 5.69671 9.49454 8.57395 numMergedOcc 0
11 mol 95 unq 1 iso 0 dist 9.49995 9.59704 3.96826 5.69671 9.49454 9.85409 numMergedOcc 0
12 mol 98 unq 0 iso 0 dist 9.25249 8.3505 17.4008 4.75138 13.8815 5.10496 numMergedOcc 0
13 mol 98 unq 1 iso 0 dist 9.25249 8.3505 17.4008 10.4417 17.8091 5.92242 numMergedOcc 0
14 mol 98 unq 2 iso 0 dist 9.25249 8.3505 17.4008 11.3628 19.9118 5.2571 numMergedOcc 0
15 mol 98 unq 3 iso 0 dist 9.25249 8.3505 17.4008 13.9599 22.4773 8.7497 numMergedOcc 0
16 mol 98 unq 4 iso 0 dist 9.25249 7.34638 11.5696 10.4417 17.8091 7.02507 numMergedOcc 0
17 mol 98 unq 5 iso 0 dist 5.94696 5.08983 3.92737 10.1978 12.5931 9.64383 numMergedOcc 0
18 mol 98 unq 6 iso 0 dist 5.94696 5.08983 3.92737 7.1452 4.47349 7.54889 numMergedOcc 0
19 mol 98 unq 7 iso 0 dist 5.94696 5.08983 3.92737 4.96747 5.65185 7.78931 numMergedOcc 0
20 mol 109 unq 0 iso 0 dist 8.48774 6.67635 7.60413 10.0698 13.0672 7.86666 numMergedOcc 0
21 mol 109 unq 1 iso 0 dist 8.48774 6.67635 7.60413 11.8455 11.8965 9.77497 numMergedOcc 0
22 mol 112 unq 0 iso 0 dist 6.09626 4.77996 5.08111 4.34071 9.28592 5.56994 numMergedOcc 0
23 mol 113 unq 0 iso 0 dist 5.37302 6.12348 3.84573 14.0364 9.66219 8.80934 numMergedOcc 0
24 mol 113 unq 1 iso 0 dist 8.47541 7.2672 3.84573 12.1308 9.66219 8.80934 numMergedOcc 0
25 mol 119 unq 0 iso 0 dist 9.34823 9.10803 14.1584 12.7349 18.5519 9.77575 numMergedOcc 0
26 mol 146 unq 0 iso 0 dist 7.13378 6.93154 8.9669 5.44003 12.2161 9.04757 numMergedOcc 0
27 mol 167 unq 0 iso 0 dist 9.14629 8.77904 8.91275 6.64464 11.6896 7.68266 numMergedOcc 0
28 mol 167 unq 1 iso 0 dist 9.14629 8.77904 8.91275 5.70785 12.8466 7.6616 numMergedOcc 0
29 mol 167 unq 2 iso 0 dist 9.14629 8.77904 8.91275 7.91498 9.67741 9.2289 numMergedOcc 0
30 mol 167 unq 3 iso 0 dist 9.14629 6.48993 5.95858 6.64464 11.6896 6.84752 numMergedOcc 0
31 mol 167 unq 4 iso 0 dist 9.14629 6.48993 5.95858 5.70785 12.8466 7.86563 numMergedOcc 0
32 mol 167 unq 5 iso 0 dist 9.14629 6.48993 5.95858 7.91498 9.67741 7.02548 numMergedOcc 0
33 mol 168 unq 0 iso 0 dist 8.90876 7.30338 4.02702 12.1014 7.44629 6.02086 numMergedOcc 0
34 mol 184 unq 0 iso 0 dist 8.95598 8.27396 4.67256 4.41193 6.42735 5.96423 numMergedOcc 0
35 mol 205 unq 0 iso 0 dist 7.23557 6.41148 9.86388 4.2475 4.8668 6.49765 numMergedOcc 0
36 mol 205 unq 1 iso 0 dist 8.86587 5.06713 9.86388 6.8901 4.8668 6.49765 numMergedOcc 0
37 mol 219 unq 0 iso 0 dist 7.13099 6.52136 5.75906 5.0241 7.59632 4.33238 numMergedOcc 0
38 mol 219 unq 1 iso 0 dist 7.13099 6.52136 5.75906 4.36122 10.3776 7.83604 numMergedOcc 0
39 mol 223 unq 0 iso 0 dist 7.81769 9.6936 3.86668 8.78003 7.48463 9.33543 numMergedOcc 0
40 mol 223 unq 1 iso 0 dist 7.66694 9.36733 3.86668 5.33327 7.48463 9.33543 numMergedOcc 0
41 mol 274 unq 0 iso 0 dist 9.11072 4.97796 13.3632 4.56913 12.2077 6.4611 numMergedOcc 0
42 mol 274 unq 1 iso 0 dist 6.83113 4.97796 5.39432 4.56913 10.5387 6.4611 numMergedOcc 0
43 mol 274 unq 2 iso 0 dist 9.44134 4.97796 10.7442 4.56913 13.9123 6.4611 numMergedOcc 0
44 mol 274 unq 3 iso 0 dist 9.02071 7.15079 9.78219 4.37547 12.2077 9.30212 numMergedOcc 0
45 mol 292 unq 0 iso 0 dist 6.60049 7.78796 3.92782 6.94727 9.88863 9.74118 numMergedOcc 0
46 mol 292 unq 1 iso 0 dist 6.68863 5.72473 6.32259 8.04474 11.4575 7.20674 numMergedOcc 0
