0 mol 5 unq 0 iso 0 dist 5.14917 5.14334 9.38842 5.43606 7.15734 6.343 numMergedOcc 0
1 mol 6 unq 0 iso 0 dist 9.38351 11.1845 8.46873 6.10198 6.1462 6.24927 numMergedOcc 0
2 mol 6 unq 1 iso 0 dist 9.38351 11.1845 8.46873 9.37554 9.12796 6.37317 numMergedOcc 0
3 mol 8 unq 0 iso 0 dist 6.68091 5.37245 9.95422 12.7755 9.00925 15.0835 numMergedOcc 0
4 mol 8 unq 1 iso 0 dist 6.68091 6.66708 7.65219 12.7755 9.00925 15.5539 numMergedOcc 0
5 mol 12 unq 0 iso 0 dist 4.62913 7.57142 9.99955 7.18195 5.9021 14.5243 numMergedOcc 0
6 mol 12 unq 1 iso 0 dist 4.62913 7.57142 9.99955 6.70723 8.98466 5.3482 numMergedOcc 0
7 mol 41 unq 0 iso 0 dist 8.45063 5.91275 6.42931 8.62288 8.28673 10.2887 numMergedOcc 0
8 mol 68 unq 0 iso 0 dist 7.7307 9.00774 9.85982 4.87741 8.76389 4.83162 numMergedOcc 0
9 mol 79 unq 0 iso 0 dist 8.01516 6.39793 4.52157 10.5523 7.41952 5.65368 numMergedOcc 0
10 mol 103 unq 0 iso 0 dist 8.1375 7.3651 5.24823 5.42278 7.57822 8.47667 numMergedOcc 0
11 mol 123 unq 0 iso 0 dist 8.56386 8.59447 9.55097 14.7054 9.86842 12.0914 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 7.67877 11.7814 7.4963 7.25115 7.96689 7.52391 numMergedOcc 0
13 mol 133 unq 1 iso 0 dist 7.67877 11.7814 7.4963 6.02631 4.83134 11.7196 numMergedOcc 0
14 mol 133 unq 2 iso 0 dist 7.67877 6.58277 7.74278 7.25115 7.96689 7.72261 numMergedOcc 0
15 mol 133 unq 3 iso 0 dist 7.67877 6.58277 7.74278 6.02631 4.83134 4.27464 numMergedOcc 0
16 mol 133 unq 4 iso 0 dist 7.67877 13.7398 8.08807 7.25115 7.96689 13.0543 numMergedOcc 0
17 mol 133 unq 5 iso 0 dist 7.67877 13.7398 8.08807 6.02631 4.83134 8.08082 numMergedOcc 0
18 mol 133 unq 6 iso 0 dist 5.01269 6.58277 8.54607 7.25115 9.6582 7.72261 numMergedOcc 0
19 mol 133 unq 7 iso 0 dist 5.01269 6.58277 8.54607 6.02631 5.17734 4.27464 numMergedOcc 0
20 mol 133 unq 8 iso 0 dist 9.96416 10.218 7.74278 8.58899 9.07294 13.4864 numMergedOcc 0
21 mol 133 unq 9 iso 0 dist 9.96416 14.7367 8.54607 8.58899 9.07294 16.2835 numMergedOcc 0
22 mol 165 unq 0 iso 0 dist 9.8446 7.28318 9.13163 9.75412 9.59989 14.676 numMergedOcc 0
23 mol 165 unq 1 iso 0 dist 9.8446 16.8597 7.74717 9.75412 9.59989 11.997 numMergedOcc 0
24 mol 175 unq 0 iso 0 dist 7.7013 6.623 9.30469 14.2738 8.6609 16.4886 numMergedOcc 0
25 mol 175 unq 1 iso 0 dist 7.7013 6.623 9.30469 8.62822 6.21546 10.7476 numMergedOcc 0
26 mol 175 unq 2 iso 0 dist 7.7013 6.623 9.30469 7.44933 6.03184 4.81365 numMergedOcc 0
27 mol 186 unq 0 iso 0 dist 5.83898 5.6932 4.47148 8.56706 9.08767 5.36423 numMergedOcc 0
28 mol 207 unq 0 iso 0 dist 8.27274 7.28303 9.29024 5.58522 8.84785 4.09735 numMergedOcc 0
29 mol 217 unq 0 iso 0 dist 8.60259 9.79986 9.94746 5.30434 6.01666 6.28311 numMergedOcc 0
30 mol 219 unq 0 iso 0 dist 7.26376 8.73781 9.48678 6.90398 4.67452 4.86182 numMergedOcc 0
31 mol 220 unq 0 iso 0 dist 8.55805 10.4255 6.45234 12.6024 7.35148 9.97963 numMergedOcc 0
32 mol 241 unq 0 iso 0 dist 8.96917 8.67618 7.16899 5.37052 7.41298 4.76856 numMergedOcc 0
33 mol 241 unq 1 iso 0 dist 8.96917 8.67618 7.16899 4.58303 9.99337 11.0792 numMergedOcc 0
34 mol 241 unq 2 iso 0 dist 8.96917 7.72095 9.27693 5.37052 7.41298 5.37459 numMergedOcc 0
35 mol 241 unq 3 iso 0 dist 8.96917 7.72095 9.27693 4.58303 9.99337 5.02153 numMergedOcc 0
36 mol 254 unq 0 iso 0 dist 8.76115 14.5442 9.62779 5.24816 7.53352 9.73538 numMergedOcc 0
37 mol 254 unq 1 iso 0 dist 8.76115 14.5442 9.62779 9.11887 7.80793 8.88569 numMergedOcc 0
38 mol 254 unq 2 iso 0 dist 8.76115 13.4104 8.8044 5.24816 7.53352 14.2144 numMergedOcc 0
39 mol 254 unq 3 iso 0 dist 8.76115 13.4104 8.8044 9.11887 7.80793 11.6112 numMergedOcc 0
40 mol 259 unq 0 iso 0 dist 8.06908 8.77225 8.06955 7.10624 8.91916 13.2664 numMergedOcc 0
41 mol 259 unq 1 iso 0 dist 8.06908 8.77225 8.06955 5.09929 4.55368 9.68677 numMergedOcc 0
42 mol 266 unq 0 iso 0 dist 9.36806 7.61055 8.48012 7.43132 8.12204 4.62446 numMergedOcc 0
43 mol 266 unq 1 iso 0 dist 7.66705 10.3939 8.48012 4.90213 5.28417 5.69904 numMergedOcc 0
44 mol 266 unq 2 iso 0 dist 7.51446 5.01049 8.48012 8.18304 8.12204 4.62446 numMergedOcc 0
45 mol 276 unq 0 iso 0 dist 9.5388 15.2084 9.15041 16.342 9.68846 12.7102 numMergedOcc 0
46 mol 283 unq 0 iso 0 dist 8.43009 9.5249 8.92124 5.51524 8.3815 5.13525 numMergedOcc 0
47 mol 283 unq 1 iso 0 dist 8.43009 9.5249 8.92124 11.6321 7.13925 8.75145 numMergedOcc 0
48 mol 293 unq 0 iso 0 dist 6.83404 6.89397 9.15753 8.01733 8.42712 6.51518 numMergedOcc 0
