0 mol 11 unq 0 iso 0 dist 5.95165 6.50001 4.10106 3.77561 4.61088 6.54358 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 9.54519 6.36381 5.50396 5.80023 7.36323 7.27472 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 8.6396 5.77745 6.47509 5.8503 5.04899 7.05196 numMergedOcc 0
3 mol 25 unq 1 iso 0 dist 8.88413 8.27137 11.4148 5.59268 7.17969 4.79873 numMergedOcc 0
4 mol 95 unq 0 iso 0 dist 9.65047 9.70292 14.2178 5.69671 8.03644 8.57395 numMergedOcc 0
5 mol 95 unq 1 iso 0 dist 9.65047 9.59704 8.78079 5.69671 8.03644 9.85409 numMergedOcc 0
6 mol 98 unq 0 iso 0 dist 5.9747 8.3505 3.9764 4.75138 5.08437 5.10496 numMergedOcc 0
7 mol 98 unq 1 iso 0 dist 5.9747 8.3505 3.9764 10.4417 6.48948 5.92242 numMergedOcc 0
8 mol 98 unq 2 iso 0 dist 5.9747 8.3505 3.9764 11.3628 6.10456 5.2571 numMergedOcc 0
9 mol 98 unq 3 iso 0 dist 5.9747 7.34638 7.03983 10.4417 6.48948 7.02507 numMergedOcc 0
10 mol 98 unq 4 iso 0 dist 4.50572 6.0995 7.03983 9.63267 6.48948 7.02507 numMergedOcc 0
11 mol 109 unq 0 iso 0 dist 8.3164 9.94704 5.00433 11.5656 8.69985 8.52024 numMergedOcc 0
12 mol 115 unq 0 iso 0 dist 5.02717 6.31773 5.03039 5.28901 7.30858 6.04595 numMergedOcc 0
13 mol 117 unq 0 iso 0 dist 6.90827 6.78655 3.55765 5.27151 7.83136 8.19331 numMergedOcc 0
14 mol 117 unq 1 iso 0 dist 6.90827 6.78655 3.55765 4.45276 7.0603 8.85711 numMergedOcc 0
15 mol 117 unq 2 iso 0 dist 8.90977 9.42037 3.55765 10.6616 7.83136 8.19331 numMergedOcc 0
16 mol 117 unq 3 iso 0 dist 8.90977 9.42037 3.55765 4.98254 7.0603 8.85711 numMergedOcc 0
17 mol 130 unq 0 iso 0 dist 5.49877 5.82945 4.97996 3.96103 8.70949 6.93139 numMergedOcc 0
18 mol 131 unq 0 iso 0 dist 6.31125 9.10434 3.98662 5.6098 8.40312 9.27976 numMergedOcc 0
19 mol 134 unq 0 iso 0 dist 9.55556 8.78303 7.41373 11.9294 8.94367 9.33094 numMergedOcc 0
20 mol 134 unq 1 iso 0 dist 9.55556 8.78303 7.41373 6.36794 9.86662 8.69531 numMergedOcc 0
21 mol 205 unq 0 iso 0 dist 6.752 6.41148 8.67921 4.2475 7.45763 6.49765 numMergedOcc 0
22 mol 205 unq 1 iso 0 dist 5.4913 5.06713 8.67921 6.8901 7.45763 6.49765 numMergedOcc 0
23 mol 224 unq 0 iso 0 dist 8.39002 6.32334 7.05804 5.72088 6.57273 8.79428 numMergedOcc 0
24 mol 224 unq 1 iso 0 dist 8.39002 6.32334 7.05804 6.51315 5.78342 6.8692 numMergedOcc 0
25 mol 224 unq 2 iso 0 dist 8.46129 6.32334 5.76843 6.31508 6.65832 6.99769 numMergedOcc 0
26 mol 224 unq 3 iso 0 dist 8.46129 6.32334 5.76843 5.72088 6.60589 8.79428 numMergedOcc 0
27 mol 224 unq 4 iso 0 dist 8.46129 6.32334 5.76843 6.51315 9.16166 6.8692 numMergedOcc 0
28 mol 224 unq 5 iso 0 dist 9.2053 6.32334 4.54188 6.51315 5.81334 6.8692 numMergedOcc 0
29 mol 238 unq 0 iso 0 dist 9.94315 7.13727 7.06793 12.521 5.72887 9.72188 numMergedOcc 0
30 mol 238 unq 1 iso 0 dist 8.59074 8.56975 7.06793 9.18011 5.72887 9.72188 numMergedOcc 0
31 mol 259 unq 0 iso 0 dist 9.12507 4.95855 7.09907 5.59901 5.30224 6.9899 numMergedOcc 0
32 mol 292 unq 0 iso 0 dist 9.30668 5.72473 7.8414 8.04474 8.2734 7.20674 numMergedOcc 0
