0 mol 29 unq 0 iso 0 dist 5.36278 5.3571 9.78134 10.3685 13.1956 5.99655 numMergedOcc 0
1 mol 29 unq 1 iso 0 dist 7.50258 12.1835 9.78134 17.6048 13.1956 5.99655 numMergedOcc 0
2 mol 30 unq 0 iso 0 dist 8.204 4.5844 7.13565 7.88072 3.90342 8.67216 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 5.35252 5.76698 8.8645 7.99434 6.44604 7.78689 numMergedOcc 0
4 mol 48 unq 1 iso 0 dist 5.06188 5.75684 8.3491 8.10222 6.4561 7.70645 numMergedOcc 0
5 mol 79 unq 0 iso 0 dist 8.61089 7.19348 8.26763 11.6139 4.13187 9.04293 numMergedOcc 0
6 mol 79 unq 1 iso 0 dist 8.61089 9.62824 6.30814 11.6139 4.13187 4.78333 numMergedOcc 0
7 mol 79 unq 2 iso 0 dist 8.61089 9.62824 6.30814 14.2202 9.13196 4.74254 numMergedOcc 0
8 mol 79 unq 3 iso 0 dist 8.61089 9.96442 7.318 16.2807 8.49975 9.21761 numMergedOcc 0
9 mol 79 unq 4 iso 0 dist 8.64686 11.5374 8.26763 6.65972 4.13187 9.04293 numMergedOcc 0
10 mol 79 unq 5 iso 0 dist 8.64686 5.21981 6.30814 6.65972 4.13187 4.78333 numMergedOcc 0
11 mol 79 unq 6 iso 0 dist 8.64686 5.21981 6.30814 4.2253 9.13196 4.74254 numMergedOcc 0
12 mol 79 unq 7 iso 0 dist 8.64686 8.12985 7.318 11.4214 8.49975 9.21761 numMergedOcc 0
13 mol 83 unq 0 iso 0 dist 7.2118 4.93836 5.25361 7.69755 4.48523 5.35861 numMergedOcc 0
14 mol 83 unq 1 iso 0 dist 7.2118 4.93836 5.25361 11.7964 9.79852 8.61641 numMergedOcc 0
15 mol 91 unq 0 iso 0 dist 8.91354 5.09341 9.84288 8.91998 10.8497 7.71625 numMergedOcc 0
16 mol 157 unq 0 iso 0 dist 6.8976 5.332 8.9078 8.36016 5.07066 7.91458 numMergedOcc 0
17 mol 198 unq 0 iso 0 dist 9.87574 8.69902 9.40433 16.7941 10.3365 9.75417 numMergedOcc 0
18 mol 205 unq 0 iso 0 dist 6.43519 6.31671 7.53734 8.83628 6.82382 7.68686 numMergedOcc 0
19 mol 224 unq 0 iso 0 dist 8.8113 6.97024 7.71863 10.0566 4.8207 7.98132 numMergedOcc 0
20 mol 224 unq 1 iso 0 dist 8.8113 6.97024 7.71863 6.06793 5.77577 7.99036 numMergedOcc 0
21 mol 255 unq 0 iso 0 dist 9.40767 7.45603 5.88708 15.9577 10.2353 8.7958 numMergedOcc 0
22 mol 266 unq 0 iso 0 dist 9.0836 7.90149 8.9221 14.5631 10.1418 7.72861 numMergedOcc 0
23 mol 266 unq 1 iso 0 dist 9.0836 7.90149 8.9221 6.48382 7.63149 8.20376 numMergedOcc 0
24 mol 266 unq 2 iso 0 dist 9.62494 7.90149 9.51145 14.5631 10.3155 7.72861 numMergedOcc 0
25 mol 266 unq 3 iso 0 dist 9.62494 7.90149 9.51145 6.48382 4.39553 8.20376 numMergedOcc 0
26 mol 277 unq 0 iso 0 dist 6.66936 5.38166 6.42951 10.4606 9.21484 5.13533 numMergedOcc 0
27 mol 277 unq 1 iso 0 dist 8.15119 6.65084 6.42951 4.1545 9.21484 5.13533 numMergedOcc 0
28 mol 287 unq 0 iso 0 dist 7.14859 13.8618 8.43856 15.6816 9.67218 6.22311 numMergedOcc 0
29 mol 288 unq 0 iso 0 dist 7.14859 13.8618 8.43856 15.6816 9.67218 6.22311 numMergedOcc 0
30 mol 289 unq 0 iso 0 dist 7.14859 13.8618 8.43856 15.6816 9.67218 6.22311 numMergedOcc 0
