0 mol 18 unq 0 iso 0 dist 6.39307 4.25207 5.65084 10.2493 4.8604 7.55766 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 6.36381 5.80023 7.27472 8.70141 5.11135 9.24958 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 8.27137 5.59268 4.79873 5.97432 6.86525 6.90155 numMergedOcc 0
3 mol 56 unq 0 iso 0 dist 7.93171 7.82856 9.2898 15.5734 15.8558 8.63486 numMergedOcc 0
4 mol 109 unq 0 iso 0 dist 6.67635 11.8455 9.77497 14.5178 9.03468 8.67766 numMergedOcc 0
5 mol 109 unq 1 iso 0 dist 9.46621 10.404 9.89083 13.4014 11.0597 8.0831 numMergedOcc 0
6 mol 109 unq 2 iso 0 dist 9.94704 14.8479 9.89083 18.3762 11.0597 8.0831 numMergedOcc 0
7 mol 115 unq 0 iso 0 dist 8.42219 11.8122 9.42082 15.7691 10.5109 5.72642 numMergedOcc 0
8 mol 130 unq 0 iso 0 dist 5.82945 3.96103 6.93139 7.39532 6.76477 8.33077 numMergedOcc 0
9 mol 131 unq 0 iso 0 dist 9.10434 5.6098 9.27976 10.1423 5.30999 8.86329 numMergedOcc 0
10 mol 142 unq 0 iso 0 dist 9.15758 7.17402 7.18002 16.1421 11.093 9.17106 numMergedOcc 0
11 mol 154 unq 0 iso 0 dist 5.06116 5.5065 8.33439 13.113 14.4682 7.72144 numMergedOcc 0
12 mol 186 unq 0 iso 0 dist 6.52441 11.7795 7.2793 9.38115 6.38897 9.83476 numMergedOcc 0
13 mol 186 unq 1 iso 0 dist 6.52441 11.7795 7.2793 14.4117 8.88593 6.258 numMergedOcc 0
14 mol 223 unq 0 iso 0 dist 9.6936 8.78003 9.33543 11.6638 9.63911 6.13306 numMergedOcc 0
15 mol 223 unq 1 iso 0 dist 9.36733 5.33327 9.33543 9.86699 9.63911 6.13306 numMergedOcc 0
16 mol 225 unq 0 iso 0 dist 7.25438 9.20928 8.14831 15.2581 11.2847 6.6561 numMergedOcc 0
17 mol 225 unq 1 iso 0 dist 8.87015 6.56428 9.7982 11.9465 6.47351 9.18895 numMergedOcc 0
18 mol 238 unq 0 iso 0 dist 7.13727 12.521 9.72188 16.6013 13.0611 7.32982 numMergedOcc 0
19 mol 238 unq 1 iso 0 dist 8.56975 9.18011 9.72188 13.3717 13.0611 7.32982 numMergedOcc 0
20 mol 257 unq 0 iso 0 dist 8.70029 6.45947 8.83833 16.3929 15.1307 9.95546 numMergedOcc 0
21 mol 259 unq 0 iso 0 dist 4.95855 5.41945 5.85442 9.30428 7.32929 8.55558 numMergedOcc 0
22 mol 259 unq 1 iso 0 dist 4.95855 5.59901 6.9899 9.30428 7.32929 8.59697 numMergedOcc 0
23 mol 259 unq 2 iso 0 dist 7.72489 5.41945 6.95511 9.30428 9.55426 8.55558 numMergedOcc 0
24 mol 264 unq 0 iso 0 dist 9.13546 11.5671 9.19754 8.28871 5.82131 6.04162 numMergedOcc 0
25 mol 264 unq 1 iso 0 dist 9.13546 13.8765 8.29262 8.28871 5.82131 6.14323 numMergedOcc 0
26 mol 264 unq 2 iso 0 dist 7.19658 5.21164 9.19754 7.94668 5.82131 6.04162 numMergedOcc 0
27 mol 264 unq 3 iso 0 dist 7.19658 6.12009 8.29262 7.94668 5.82131 6.14323 numMergedOcc 0
28 mol 274 unq 0 iso 0 dist 4.97796 4.56913 6.4611 9.97357 13.4431 7.4099 numMergedOcc 0
29 mol 274 unq 1 iso 0 dist 7.15079 4.37547 9.30212 6.63662 5.85225 7.4099 numMergedOcc 0
30 mol 285 unq 0 iso 0 dist 5.09181 4.16039 7.80862 6.89391 8.05127 5.31728 numMergedOcc 0
