0 mol 1 unq 0 iso 0 dist 9.35554 9.40282 13.3466 5.99543 9.00903 10.488 numMergedOcc 0
1 mol 18 unq 0 iso 0 dist 7.37356 9.2978 10.1903 7.426 9.51761 11.4791 numMergedOcc 0
2 mol 18 unq 1 iso 0 dist 7.37356 9.2978 10.1903 7.53082 7.3094 15.4322 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 6.84521 8.90024 5.06502 5.84171 5.73819 6.20293 numMergedOcc 0
4 mol 43 unq 1 iso 0 dist 6.84521 6.78532 5.89973 5.84171 5.73819 8.93915 numMergedOcc 0
5 mol 43 unq 2 iso 0 dist 8.90024 6.84521 5.06502 13.9129 8.80331 10.5523 numMergedOcc 0
6 mol 43 unq 3 iso 0 dist 8.90024 6.84521 5.06502 5.84171 6.20293 5.73819 numMergedOcc 0
7 mol 43 unq 4 iso 0 dist 8.90024 6.78532 6.45462 13.9129 8.80331 14.7803 numMergedOcc 0
8 mol 43 unq 5 iso 0 dist 8.90024 6.78532 6.45462 5.84171 6.20293 8.93915 numMergedOcc 0
9 mol 43 unq 6 iso 0 dist 6.78532 6.84521 5.89973 5.84171 8.93915 5.73819 numMergedOcc 0
10 mol 43 unq 7 iso 0 dist 6.78532 8.90024 6.45462 5.84171 8.93915 6.20293 numMergedOcc 0
11 mol 72 unq 0 iso 0 dist 5.48831 9.39178 5.82403 13.0773 9.96708 13.9308 numMergedOcc 0
12 mol 72 unq 1 iso 0 dist 5.48831 9.39178 5.82403 10.5933 9.78528 12.4486 numMergedOcc 0
13 mol 78 unq 0 iso 0 dist 9.29446 5.8992 11.5966 11.2307 7.9245 16.1547 numMergedOcc 0
14 mol 90 unq 0 iso 0 dist 7.96299 9.25901 9.36098 6.75623 5.83409 12.5112 numMergedOcc 0
15 mol 95 unq 0 iso 0 dist 7.90775 8.49531 14.3902 4.16047 9.03572 11.659 numMergedOcc 0
16 mol 109 unq 0 iso 0 dist 9.23803 8.05028 6.94915 6.32175 8.58044 9.97763 numMergedOcc 0
17 mol 109 unq 1 iso 0 dist 8.05028 9.23803 6.94915 6.32175 9.97763 8.58044 numMergedOcc 0
18 mol 109 unq 2 iso 0 dist 7.4389 7.24527 4.98336 12.3794 8.69985 13.4572 numMergedOcc 0
19 mol 112 unq 0 iso 0 dist 8.86938 7.42474 14.5975 4.9102 7.71338 11.8312 numMergedOcc 0
20 mol 114 unq 0 iso 0 dist 6.71345 6.99793 11.6284 6.49725 7.5732 12.6649 numMergedOcc 0
21 mol 115 unq 0 iso 0 dist 8.64107 9.50575 10.4152 4.82909 4.99221 11.2489 numMergedOcc 0
22 mol 115 unq 1 iso 0 dist 9.50575 8.64107 10.4152 6.68557 5.11551 11.5333 numMergedOcc 0
23 mol 115 unq 2 iso 0 dist 8.43116 6.23645 6.5838 4.96719 5.11551 7.11972 numMergedOcc 0
24 mol 115 unq 3 iso 0 dist 6.23645 8.43116 6.5838 4.96719 7.11972 5.11551 numMergedOcc 0
25 mol 115 unq 4 iso 0 dist 6.23645 8.43116 6.5838 6.47836 6.90986 11.4095 numMergedOcc 0
26 mol 133 unq 0 iso 0 dist 8.66715 9.00172 8.18495 14.0905 7.11802 8.00618 numMergedOcc 0
27 mol 133 unq 1 iso 0 dist 9.00172 8.66715 8.18495 13.2145 6.29155 13.268 numMergedOcc 0
28 mol 133 unq 2 iso 0 dist 9.00172 8.66715 8.18495 15.719 6.80239 12.6651 numMergedOcc 0
29 mol 133 unq 3 iso 0 dist 9.00172 8.66715 8.18495 14.0905 8.00618 7.11802 numMergedOcc 0
30 mol 134 unq 0 iso 0 dist 4.68975 8.84656 7.11631 9.30817 9.89303 9.5126 numMergedOcc 0
31 mol 134 unq 1 iso 0 dist 4.68975 4.9155 5.79898 9.30817 9.89303 6.54501 numMergedOcc 0
32 mol 134 unq 2 iso 0 dist 8.84656 4.68975 7.11631 10.879 6.37586 9.93925 numMergedOcc 0
33 mol 134 unq 3 iso 0 dist 8.84656 4.68975 7.11631 16.7911 9.71307 14.423 numMergedOcc 0
34 mol 134 unq 4 iso 0 dist 8.84656 4.9155 5.00817 10.879 6.37586 6.49416 numMergedOcc 0
35 mol 134 unq 5 iso 0 dist 8.84656 4.9155 5.00817 16.7911 9.71307 12.5075 numMergedOcc 0
36 mol 134 unq 6 iso 0 dist 4.9155 4.68975 5.79898 9.30817 6.54501 9.89303 numMergedOcc 0
37 mol 134 unq 7 iso 0 dist 4.9155 4.68975 5.79898 10.879 6.49416 9.93925 numMergedOcc 0
38 mol 134 unq 8 iso 0 dist 4.9155 8.84656 5.00817 9.30817 6.54501 9.5126 numMergedOcc 0
39 mol 134 unq 9 iso 0 dist 4.9155 8.84656 5.00817 10.879 6.49416 6.37586 numMergedOcc 0
40 mol 134 unq 10 iso 0 dist 5.79157 8.31276 11.6064 13.0109 9.86662 15.281 numMergedOcc 0
41 mol 134 unq 11 iso 0 dist 5.79157 8.31276 11.6064 14.1608 9.71307 15.6507 numMergedOcc 0
42 mol 134 unq 12 iso 0 dist 5.79157 5.50687 7.09823 13.0109 9.86662 14.0375 numMergedOcc 0
43 mol 134 unq 13 iso 0 dist 5.79157 5.50687 7.09823 14.1608 9.71307 15.9508 numMergedOcc 0
44 mol 134 unq 14 iso 0 dist 5.79157 7.30919 8.25185 13.0109 9.86662 17.9288 numMergedOcc 0
45 mol 134 unq 15 iso 0 dist 5.79157 7.30919 8.25185 14.1608 9.71307 17.7915 numMergedOcc 0
46 mol 167 unq 0 iso 0 dist 6.53913 7.9895 9.36756 12.4033 9.87651 13.0227 numMergedOcc 0
47 mol 196 unq 0 iso 0 dist 9.79271 9.36732 12.9389 4.07683 9.62191 13.1575 numMergedOcc 0
48 mol 229 unq 0 iso 0 dist 6.32302 6.88694 5.57838 6.52416 8.22528 7.03423 numMergedOcc 0
49 mol 229 unq 1 iso 0 dist 6.88694 6.32302 5.57838 6.52416 7.03423 8.22528 numMergedOcc 0
50 mol 229 unq 2 iso 0 dist 6.88694 6.32302 5.57838 11.1919 9.06952 13.2905 numMergedOcc 0
51 mol 238 unq 0 iso 0 dist 9.39537 8.97461 14.0328 9.53107 6.57393 10.0756 numMergedOcc 0
52 mol 238 unq 1 iso 0 dist 9.39537 8.89487 15.8898 9.53107 6.57393 14.6071 numMergedOcc 0
53 mol 238 unq 2 iso 0 dist 8.97461 9.39537 14.0328 10.4685 6.22714 13.1053 numMergedOcc 0
54 mol 238 unq 3 iso 0 dist 8.97461 9.39537 14.0328 11.6506 7.31233 11.101 numMergedOcc 0
55 mol 238 unq 4 iso 0 dist 8.97461 8.89487 6.85126 10.4685 6.22714 12.6642 numMergedOcc 0
56 mol 238 unq 5 iso 0 dist 8.97461 8.89487 6.85126 11.6506 7.31233 13.1583 numMergedOcc 0
57 mol 249 unq 0 iso 0 dist 7.79723 8.14526 5.01979 4.24754 7.57994 6.18582 numMergedOcc 0
58 mol 249 unq 1 iso 0 dist 8.14526 7.79723 5.01979 4.24754 6.18582 7.57994 numMergedOcc 0
59 mol 258 unq 0 iso 0 dist 9.2067 9.16078 5.30627 9.88911 6.42289 10.1675 numMergedOcc 0
60 mol 277 unq 0 iso 0 dist 7.23956 7.151 11.8268 15.6875 9.7748 21.4606 numMergedOcc 0
61 mol 277 unq 1 iso 0 dist 7.23956 8.53324 7.08227 15.6875 9.7748 16.3537 numMergedOcc 0
