0 mol 2 unq 0 iso 0 dist 9.9335 7.99162 11.2776 9.3761 4.80061 8.44439 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 5.63207 6.35333 5.90331 9.2958 6.18681 3.84053 numMergedOcc 0
2 mol 62 unq 0 iso 0 dist 6.09042 8.27156 10.894 8.32519 7.31044 5.9487 numMergedOcc 0
3 mol 64 unq 0 iso 0 dist 8.71324 9.56181 9.73304 8.85601 13.5004 7.05257 numMergedOcc 0
4 mol 64 unq 1 iso 0 dist 9.5663 9.56181 5.59762 8.85601 11.569 7.05257 numMergedOcc 0
5 mol 69 unq 0 iso 0 dist 8.32033 8.27307 7.76775 5.38363 4.08651 8.67853 numMergedOcc 0
6 mol 69 unq 1 iso 0 dist 8.32033 6.92837 13.1847 5.38363 4.08651 10.8149 numMergedOcc 0
7 mol 70 unq 0 iso 0 dist 6.538 8.63742 6.39257 7.34645 5.22165 3.80229 numMergedOcc 0
8 mol 70 unq 1 iso 0 dist 9.26484 8.30653 11.3192 9.87737 7.49197 5.78087 numMergedOcc 0
9 mol 70 unq 2 iso 0 dist 9.26484 8.30653 11.3192 6.7303 5.22165 6.10128 numMergedOcc 0
10 mol 70 unq 3 iso 0 dist 9.26484 6.91739 6.39257 9.87737 7.49197 6.64078 numMergedOcc 0
11 mol 70 unq 4 iso 0 dist 9.26484 6.91739 6.39257 6.7303 5.22165 3.80229 numMergedOcc 0
12 mol 78 unq 0 iso 0 dist 9.93275 9.29446 9.54341 9.9934 8.68247 15.5077 numMergedOcc 0
13 mol 78 unq 1 iso 0 dist 9.93275 5.8992 9.58336 9.9934 8.68247 6.67525 numMergedOcc 0
14 mol 83 unq 0 iso 0 dist 9.48319 9.86416 15.2271 7.88265 8.73538 10.2694 numMergedOcc 0
15 mol 92 unq 0 iso 0 dist 8.98532 8.3558 5.1767 7.06722 10.8271 9.85978 numMergedOcc 0
16 mol 95 unq 0 iso 0 dist 5.84349 7.90775 4.33346 8.6356 7.78168 7.82258 numMergedOcc 0
17 mol 95 unq 1 iso 0 dist 5.84349 8.49531 10.3965 8.6356 7.78168 12.6805 numMergedOcc 0
18 mol 102 unq 0 iso 0 dist 7.90927 8.84131 9.9427 9.00369 12.4961 3.48119 numMergedOcc 0
19 mol 102 unq 1 iso 0 dist 6.7095 8.84131 7.49575 9.00369 6.04036 3.48119 numMergedOcc 0
20 mol 128 unq 0 iso 0 dist 8.20904 8.3127 11.1747 9.00141 4.17039 10.803 numMergedOcc 0
21 mol 128 unq 1 iso 0 dist 8.20904 8.3127 11.1747 4.26814 8.12949 4.48309 numMergedOcc 0
22 mol 189 unq 0 iso 0 dist 8.01521 8.59972 6.36139 8.49359 9.15913 4.28607 numMergedOcc 0
23 mol 206 unq 0 iso 0 dist 9.0815 9.90891 5.91558 7.54599 6.66922 9.76121 numMergedOcc 0
24 mol 225 unq 0 iso 0 dist 8.33143 8.14464 14.7684 8.81424 10.8002 9.76678 numMergedOcc 0
25 mol 225 unq 1 iso 0 dist 8.33143 8.14464 14.7684 9.60949 16.2766 5.41981 numMergedOcc 0
26 mol 225 unq 2 iso 0 dist 8.33143 9.93754 6.89798 8.81424 10.8002 9.72811 numMergedOcc 0
27 mol 225 unq 3 iso 0 dist 8.33143 9.93754 6.89798 9.60949 16.2766 19.3511 numMergedOcc 0
28 mol 241 unq 0 iso 0 dist 7.16232 6.90245 7.93809 7.65636 11.2023 4.07839 numMergedOcc 0
29 mol 261 unq 0 iso 0 dist 6.93654 9.80409 13.3163 8.55479 4.0136 11.4108 numMergedOcc 0
30 mol 261 unq 1 iso 0 dist 9.66298 9.80409 13.6041 8.55479 4.30068 11.4108 numMergedOcc 0
31 mol 266 unq 0 iso 0 dist 6.20998 6.95233 5.98169 7.96613 12.2408 14.5358 numMergedOcc 0
32 mol 266 unq 1 iso 0 dist 6.20998 9.61741 13.6708 7.96613 12.2408 13.7682 numMergedOcc 0
33 mol 266 unq 2 iso 0 dist 6.20998 5.61056 10.2407 7.96613 12.2408 11.879 numMergedOcc 0
34 mol 266 unq 3 iso 0 dist 8.78219 6.95233 13.8919 7.96613 5.34431 14.5358 numMergedOcc 0
35 mol 266 unq 4 iso 0 dist 8.78219 9.61741 16.7981 7.96613 5.34431 13.7682 numMergedOcc 0
36 mol 266 unq 5 iso 0 dist 8.78219 5.61056 14.0884 7.96613 5.34431 11.879 numMergedOcc 0
37 mol 285 unq 0 iso 0 dist 4.49395 6.44657 9.237 5.93983 4.57431 8.33646 numMergedOcc 0
