0 mol 6 unq 0 iso 0 dist 8.99368 6.56855 9.31066 6.27318 8.70244 11.9857 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 9.15677 14.8485 7.34549 12.1626 9.7522 11.0672 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 9.15677 16.9454 8.09068 12.1626 9.7522 15.3987 numMergedOcc 0
3 mol 26 unq 2 iso 0 dist 9.15677 17.4951 9.72289 12.1626 9.7522 18.4863 numMergedOcc 0
4 mol 26 unq 3 iso 0 dist 9.61029 11.9913 7.34549 7.53125 9.7522 11.0672 numMergedOcc 0
5 mol 26 unq 4 iso 0 dist 9.61029 11.6671 8.09068 7.53125 9.7522 15.3987 numMergedOcc 0
6 mol 26 unq 5 iso 0 dist 9.61029 15.9266 9.72289 7.53125 9.7522 18.4863 numMergedOcc 0
7 mol 54 unq 0 iso 0 dist 7.51978 6.11985 6.13476 8.88887 5.97635 10.5752 numMergedOcc 0
8 mol 65 unq 0 iso 0 dist 9.9997 6.65154 9.75927 4.98203 8.76461 4.24391 numMergedOcc 0
9 mol 76 unq 0 iso 0 dist 8.28737 6.77871 7.63534 5.37389 8.58841 10.4745 numMergedOcc 0
10 mol 78 unq 0 iso 0 dist 7.80757 5.53214 9.45835 10.928 9.23023 11.1106 numMergedOcc 0
11 mol 78 unq 1 iso 0 dist 9.2835 14.7492 9.45835 7.59211 9.23023 11.1106 numMergedOcc 0
12 mol 78 unq 2 iso 0 dist 5.02591 10.6915 9.45835 5.13304 9.23023 11.1106 numMergedOcc 0
13 mol 110 unq 0 iso 0 dist 6.59361 7.35494 8.1306 4.88877 9.73174 6.9318 numMergedOcc 0
14 mol 110 unq 1 iso 0 dist 6.59361 7.35494 8.1306 7.46387 9.65418 4.29339 numMergedOcc 0
15 mol 122 unq 0 iso 0 dist 5.09114 11.2576 8.054 12.0108 9.40018 5.45124 numMergedOcc 0
16 mol 122 unq 1 iso 0 dist 5.09114 11.2576 8.054 9.14438 6.78949 4.79314 numMergedOcc 0
17 mol 123 unq 0 iso 0 dist 8.87148 6.90284 9.99727 4.81545 8.67193 11.1664 numMergedOcc 0
18 mol 123 unq 1 iso 0 dist 9.26057 4.43198 9.99727 9.59867 8.67193 11.1664 numMergedOcc 0
19 mol 167 unq 0 iso 0 dist 4.93984 7.78944 9.21386 6.87303 8.14096 3.93619 numMergedOcc 0
20 mol 167 unq 1 iso 0 dist 4.93984 7.78944 9.21386 6.01114 8.43038 9.74898 numMergedOcc 0
21 mol 167 unq 2 iso 0 dist 4.93984 7.78944 9.21386 9.04662 9.87966 10.8657 numMergedOcc 0
22 mol 186 unq 0 iso 0 dist 5.63906 5.90884 7.09426 5.88166 8.03995 7.40628 numMergedOcc 0
23 mol 196 unq 0 iso 0 dist 6.60651 10.2953 7.84536 4.73252 6.25429 7.42251 numMergedOcc 0
24 mol 196 unq 1 iso 0 dist 6.60651 11.554 7.07723 4.73252 6.25429 10.0417 numMergedOcc 0
25 mol 196 unq 2 iso 0 dist 6.60651 6.29554 6.40064 4.73252 6.25429 8.51719 numMergedOcc 0
26 mol 210 unq 0 iso 0 dist 7.19917 8.78987 7.86668 11.8117 8.62103 4.04112 numMergedOcc 0
27 mol 213 unq 0 iso 0 dist 6.77104 8.06042 9.1663 12.1 7.88794 11.0215 numMergedOcc 0
28 mol 238 unq 0 iso 0 dist 9.82174 8.0362 8.39522 11.6082 6.24928 5.58605 numMergedOcc 0
29 mol 241 unq 0 iso 0 dist 8.62971 12.263 8.18588 8.34013 8.40773 5.06075 numMergedOcc 0
30 mol 241 unq 1 iso 0 dist 8.62971 12.263 8.18588 5.69491 9.18476 13.1806 numMergedOcc 0
31 mol 253 unq 0 iso 0 dist 5.76077 12.8509 9.86979 5.03278 5.89502 9.99077 numMergedOcc 0
32 mol 253 unq 1 iso 0 dist 5.76077 12.8509 9.86979 4.58695 7.15815 11.0003 numMergedOcc 0
33 mol 253 unq 2 iso 0 dist 7.0247 11.3218 9.86979 12.6079 5.89502 9.99077 numMergedOcc 0
34 mol 253 unq 3 iso 0 dist 7.0247 11.3218 9.86979 11.088 7.15815 11.0003 numMergedOcc 0
35 mol 265 unq 0 iso 0 dist 5.81421 10.6585 7.83102 4.86861 7.04833 9.76011 numMergedOcc 0
36 mol 279 unq 0 iso 0 dist 8.27977 11.9125 7.63115 4.0145 7.74162 9.73504 numMergedOcc 0
37 mol 292 unq 0 iso 0 dist 6.8133 10.1792 8.99442 9.02523 9.6898 15.1745 numMergedOcc 0
38 mol 292 unq 1 iso 0 dist 6.8133 10.1792 8.99442 9.57206 5.75596 4.09108 numMergedOcc 0
