0 mol 37 unq 0 iso 0 dist 6.64605 7.7568 9.29752 5.49728 10.9567 5.98359 numMergedOcc 0
1 mol 46 unq 0 iso 0 dist 9.14996 8.55031 16.7853 11.9729 19.727 8.16059 numMergedOcc 0
2 mol 46 unq 1 iso 0 dist 9.47718 8.55031 5.73909 11.9729 10.8111 8.16059 numMergedOcc 0
3 mol 46 unq 2 iso 0 dist 8.9459 8.55031 7.57955 11.9729 14.6959 8.16059 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 6.72531 7.40694 7.50273 5.28198 8.86877 7.99399 numMergedOcc 0
5 mol 56 unq 0 iso 0 dist 9.49487 9.60995 16.0633 10.0087 18.8871 8.23618 numMergedOcc 0
6 mol 74 unq 0 iso 0 dist 9.3664 9.80207 7.81335 7.11496 9.33277 9.50176 numMergedOcc 0
7 mol 108 unq 0 iso 0 dist 9.65148 9.82453 12.5917 10.5469 17.2802 7.58484 numMergedOcc 0
8 mol 108 unq 1 iso 0 dist 9.65148 8.79452 4.70331 7.94102 10.8925 7.59313 numMergedOcc 0
9 mol 112 unq 0 iso 0 dist 7.84249 6.30128 9.10324 10.8208 14.3543 9.17909 numMergedOcc 0
10 mol 112 unq 1 iso 0 dist 7.84249 6.30128 9.10324 4.59061 9.28645 9.37708 numMergedOcc 0
11 mol 119 unq 0 iso 0 dist 7.72434 8.39253 10.4071 7.49885 11.4486 7.26463 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 8.64946 9.63488 10.5368 7.55155 11.1563 6.89564 numMergedOcc 0
13 mol 181 unq 0 iso 0 dist 5.75545 6.13872 5.17618 7.56512 9.81693 8.03259 numMergedOcc 0
14 mol 183 unq 0 iso 0 dist 8.68085 7.38821 4.84477 8.72592 14.0346 9.82833 numMergedOcc 0
15 mol 183 unq 1 iso 0 dist 8.15747 9.92635 16.0056 15.7519 23.6099 9.81282 numMergedOcc 0
16 mol 183 unq 2 iso 0 dist 8.74903 7.85507 16.0056 15.2905 23.6099 9.81282 numMergedOcc 0
17 mol 183 unq 3 iso 0 dist 5.44125 9.92635 7.93856 15.7519 11.9371 9.81282 numMergedOcc 0
18 mol 183 unq 4 iso 0 dist 7.11505 7.85507 7.93856 15.2905 11.9371 9.81282 numMergedOcc 0
19 mol 192 unq 0 iso 0 dist 9.80584 7.252 16.1821 9.99333 19.665 7.72242 numMergedOcc 0
20 mol 192 unq 1 iso 0 dist 7.95713 7.252 12.9121 9.99333 17.8105 7.72242 numMergedOcc 0
21 mol 218 unq 0 iso 0 dist 8.61427 6.2441 6.86057 6.7488 7.43427 5.98076 numMergedOcc 0
22 mol 219 unq 0 iso 0 dist 7.13496 9.52151 14.8716 6.28221 11.4279 7.98941 numMergedOcc 0
23 mol 226 unq 0 iso 0 dist 9.37229 8.10096 9.97507 12.8829 17.5632 9.05082 numMergedOcc 0
24 mol 232 unq 0 iso 0 dist 9.16638 9.71082 13.6728 14.9027 19.9613 7.33708 numMergedOcc 0
25 mol 232 unq 1 iso 0 dist 9.16638 9.71082 13.6728 6.19573 12.8516 4.46314 numMergedOcc 0
26 mol 256 unq 0 iso 0 dist 7.14598 9.37687 9.7941 4.19031 8.88264 8.11884 numMergedOcc 0
27 mol 257 unq 0 iso 0 dist 8.23739 8.43067 5.95774 9.14736 11.093 5.65496 numMergedOcc 0
28 mol 259 unq 0 iso 0 dist 9.05363 5.98006 6.13878 7.8775 10.8231 9.16791 numMergedOcc 0
29 mol 259 unq 1 iso 0 dist 5.30455 7.97113 4.77489 9.69102 9.03983 9.2772 numMergedOcc 0
30 mol 259 unq 2 iso 0 dist 7.34794 7.97113 7.10624 9.69102 13.2886 9.2772 numMergedOcc 0
31 mol 259 unq 3 iso 0 dist 6.8184 8.38479 4.77489 4.76806 9.03983 9.2772 numMergedOcc 0
32 mol 265 unq 0 iso 0 dist 9.71346 6.98812 5.55184 7.40176 13.0889 8.19772 numMergedOcc 0
33 mol 266 unq 0 iso 0 dist 5.43053 3.90274 4.90213 4.55986 4.88541 6.35457 numMergedOcc 0
34 mol 266 unq 1 iso 0 dist 5.43053 7.49024 9.06715 8.79928 10.3321 9.27042 numMergedOcc 0
35 mol 274 unq 0 iso 0 dist 9.27493 8.15217 8.62596 4.77555 6.8693 5.38704 numMergedOcc 0
36 mol 274 unq 1 iso 0 dist 9.27493 8.15217 8.62596 6.30262 13.3831 8.26695 numMergedOcc 0
37 mol 274 unq 2 iso 0 dist 9.27493 7.62562 13.2785 7.60168 14.4954 7.59956 numMergedOcc 0
38 mol 274 unq 3 iso 0 dist 9.27493 7.62562 13.2785 4.77555 6.8693 8.05503 numMergedOcc 0
39 mol 274 unq 4 iso 0 dist 9.27493 7.62562 13.2785 6.30262 13.3831 5.59151 numMergedOcc 0
