0 mol 1 unq 0 iso 0 dist 6.06669 12.2868 6.2936 16.1723 10.7639 7.83632 numMergedOcc 0
1 mol 17 unq 0 iso 0 dist 9.54285 16.603 9.78918 17.7802 8.32923 7.82406 numMergedOcc 0
2 mol 17 unq 1 iso 0 dist 9.54285 11.5928 6.80314 17.7802 8.32923 9.877 numMergedOcc 0
3 mol 27 unq 0 iso 0 dist 9.48375 6.25033 7.96312 9.62305 15.4799 7.60283 numMergedOcc 0
4 mol 27 unq 1 iso 0 dist 6.85127 6.25033 7.67129 9.62305 14.1714 7.60283 numMergedOcc 0
5 mol 67 unq 0 iso 0 dist 6.57749 7.26324 6.07108 8.57393 12.2982 9.0008 numMergedOcc 0
6 mol 67 unq 1 iso 0 dist 6.57749 7.26324 6.07108 9.00512 8.55107 9.77887 numMergedOcc 0
7 mol 115 unq 0 iso 0 dist 7.82151 5.84237 7.81731 6.41059 5.80806 7.70313 numMergedOcc 0
8 mol 116 unq 0 iso 0 dist 8.74019 11.8091 9.2638 15.687 10.3223 7.35992 numMergedOcc 0
9 mol 116 unq 1 iso 0 dist 8.74019 11.8091 9.2638 14.4412 12.8624 6.49383 numMergedOcc 0
10 mol 148 unq 0 iso 0 dist 8.60157 6.57631 6.86997 4.7785 6.43817 8.73468 numMergedOcc 0
11 mol 148 unq 1 iso 0 dist 8.60157 8.40891 7.46919 4.7785 6.43817 9.73927 numMergedOcc 0
12 mol 150 unq 0 iso 0 dist 8.59359 6.56068 6.79381 4.79493 6.48058 8.73558 numMergedOcc 0
13 mol 150 unq 1 iso 0 dist 8.59359 8.32178 7.36989 4.79493 6.48058 9.66129 numMergedOcc 0
14 mol 174 unq 0 iso 0 dist 9.14165 10.4402 5.07761 14.0138 6.26251 7.47932 numMergedOcc 0
15 mol 184 unq 0 iso 0 dist 9.0757 5.71349 4.88303 5.87728 12.848 9.75763 numMergedOcc 0
16 mol 184 unq 1 iso 0 dist 9.0757 5.71349 4.88303 6.71538 6.36605 7.0685 numMergedOcc 0
17 mol 184 unq 2 iso 0 dist 9.0757 5.71349 4.88303 8.58856 8.2618 6.44904 numMergedOcc 0
18 mol 184 unq 3 iso 0 dist 9.39563 12.9618 4.88303 18.5277 12.848 9.75763 numMergedOcc 0
19 mol 184 unq 4 iso 0 dist 9.39563 12.9618 4.88303 12.1536 6.36605 7.0685 numMergedOcc 0
20 mol 184 unq 5 iso 0 dist 9.39563 12.9618 4.88303 11.4397 8.2618 6.44904 numMergedOcc 0
21 mol 184 unq 6 iso 0 dist 7.51045 8.54538 4.88303 14.8049 12.848 9.75763 numMergedOcc 0
22 mol 184 unq 7 iso 0 dist 7.51045 8.54538 4.88303 10.9374 6.36605 7.0685 numMergedOcc 0
23 mol 184 unq 8 iso 0 dist 7.51045 8.54538 4.88303 6.76009 8.2618 6.44904 numMergedOcc 0
24 mol 204 unq 0 iso 0 dist 7.5696 11.801 9.23676 12.2777 5.64245 7.10526 numMergedOcc 0
25 mol 239 unq 0 iso 0 dist 7.19924 5.93253 9.85821 9.03093 10.9858 5.88802 numMergedOcc 0
26 mol 278 unq 0 iso 0 dist 9.48559 3.5882 8.30195 7.08899 7.96744 7.48235 numMergedOcc 0
27 mol 284 unq 0 iso 0 dist 5.62295 8.51351 4.87349 9.79552 5.83318 6.61376 numMergedOcc 0
