0 mol 24 unq 0 iso 0 dist 6.36381 8.6586 3.67206 13.2653 9.33482 8.23075 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 9.63803 7.89667 8.86888 5.3315 13.6027 8.31381 numMergedOcc 0
2 mol 76 unq 0 iso 0 dist 6.63973 6.46582 3.35924 8.78063 9.76346 7.61521 numMergedOcc 0
3 mol 78 unq 0 iso 0 dist 7.32064 8.48827 6.99884 7.17843 6.85523 7.91148 numMergedOcc 0
4 mol 78 unq 1 iso 0 dist 7.32064 7.14048 3.75261 7.17843 6.85523 6.59794 numMergedOcc 0
5 mol 78 unq 2 iso 0 dist 4.62314 8.03895 6.99884 4.4651 6.85523 7.91148 numMergedOcc 0
6 mol 78 unq 3 iso 0 dist 4.62314 5.68873 3.75261 4.4651 6.85523 6.59794 numMergedOcc 0
7 mol 78 unq 4 iso 0 dist 5.24136 8.48827 7.80916 7.17843 8.28423 7.91148 numMergedOcc 0
8 mol 78 unq 5 iso 0 dist 5.24136 7.14048 5.07608 7.17843 8.28423 6.59794 numMergedOcc 0
9 mol 78 unq 6 iso 0 dist 4.41745 8.03895 7.80916 4.4651 8.28423 7.91148 numMergedOcc 0
10 mol 78 unq 7 iso 0 dist 4.41745 5.68873 5.07608 4.4651 8.28423 6.59794 numMergedOcc 0
11 mol 78 unq 8 iso 0 dist 6.44687 8.48827 12.6024 7.17843 13.3131 7.91148 numMergedOcc 0
12 mol 78 unq 9 iso 0 dist 6.44687 7.14048 11.1395 7.17843 13.3131 6.59794 numMergedOcc 0
13 mol 78 unq 10 iso 0 dist 5.85007 8.48827 4.75637 7.17843 5.77326 7.91148 numMergedOcc 0
14 mol 78 unq 11 iso 0 dist 5.85007 7.14048 5.62063 7.17843 5.77326 6.59794 numMergedOcc 0
15 mol 78 unq 12 iso 0 dist 6.35234 8.03895 4.75637 4.4651 5.77326 7.91148 numMergedOcc 0
16 mol 78 unq 13 iso 0 dist 6.35234 5.68873 5.62063 4.4651 5.77326 6.59794 numMergedOcc 0
17 mol 92 unq 0 iso 0 dist 9.54368 8.30746 7.35325 5.1219 7.13008 4.17838 numMergedOcc 0
18 mol 109 unq 0 iso 0 dist 6.67635 6.3323 3.54756 11.1132 9.65809 7.44558 numMergedOcc 0
19 mol 113 unq 0 iso 0 dist 6.12348 7.08403 3.52445 14.0364 8.80934 7.02367 numMergedOcc 0
20 mol 129 unq 0 iso 0 dist 8.09774 7.84813 9.87781 5.56946 5.51197 7.97548 numMergedOcc 0
21 mol 129 unq 1 iso 0 dist 8.09774 7.84813 9.87781 6.4379 9.97604 9.9291 numMergedOcc 0
22 mol 129 unq 2 iso 0 dist 8.09774 7.84813 9.87781 6.10584 12.8996 7.32151 numMergedOcc 0
23 mol 168 unq 0 iso 0 dist 9.23064 8.00063 13.0096 12.1014 19.0785 8.92592 numMergedOcc 0
24 mol 168 unq 1 iso 0 dist 7.30338 8.00063 3.5168 12.1014 6.02086 8.92592 numMergedOcc 0
25 mol 184 unq 0 iso 0 dist 8.27396 9.10344 3.30691 4.41193 5.96423 8.22001 numMergedOcc 0
26 mol 188 unq 0 iso 0 dist 7.6482 8.85223 3.42559 6.04074 7.88013 7.86092 numMergedOcc 0
27 mol 188 unq 1 iso 0 dist 9.30803 8.85223 6.93096 6.04074 9.90062 7.86092 numMergedOcc 0
28 mol 205 unq 0 iso 0 dist 6.41148 8.93485 6.49396 4.2475 6.49765 9.31158 numMergedOcc 0
29 mol 205 unq 1 iso 0 dist 5.06713 5.66636 6.49396 6.8901 6.49765 9.31158 numMergedOcc 0
30 mol 205 unq 2 iso 0 dist 8.69512 5.66636 8.93955 6.8901 14.2129 9.31158 numMergedOcc 0
31 mol 222 unq 0 iso 0 dist 8.86886 4.90656 10.1968 4.82768 12.0171 5.1609 numMergedOcc 0
32 mol 232 unq 0 iso 0 dist 9.85909 8.00949 10.4613 4.43222 13.0011 9.43618 numMergedOcc 0
33 mol 270 unq 0 iso 0 dist 6.46935 7.97614 7.2389 5.00269 9.31275 8.65354 numMergedOcc 0
34 mol 270 unq 1 iso 0 dist 5.98384 7.97614 3.30547 5.00269 8.56508 8.65354 numMergedOcc 0
35 mol 283 unq 0 iso 0 dist 8.4275 9.35302 13.7144 4.44211 12.6023 9.07995 numMergedOcc 0
36 mol 285 unq 0 iso 0 dist 8.69325 5.28731 10.7499 4.16039 11.789 5.03601 numMergedOcc 0
37 mol 285 unq 1 iso 0 dist 5.09181 5.28731 4.98469 4.16039 7.80862 5.03601 numMergedOcc 0
