0 mol 78 unq 0 iso 0 dist 7.32064 7.17843 6.85523 8.48827 6.99884 7.91148 numMergedOcc 0
1 mol 78 unq 1 iso 0 dist 7.32064 7.17843 6.85523 7.14048 3.75261 6.59794 numMergedOcc 0
2 mol 78 unq 2 iso 0 dist 7.32064 7.17843 6.85523 9.53722 10.6388 8.34957 numMergedOcc 0
3 mol 78 unq 3 iso 0 dist 4.62314 4.4651 6.85523 8.03895 6.99884 7.91148 numMergedOcc 0
4 mol 78 unq 4 iso 0 dist 4.62314 4.4651 6.85523 5.68873 3.75261 6.59794 numMergedOcc 0
5 mol 78 unq 5 iso 0 dist 4.62314 4.4651 6.85523 9.84838 10.6388 8.34957 numMergedOcc 0
6 mol 78 unq 6 iso 0 dist 5.85007 7.17843 5.77326 8.48827 4.75637 7.91148 numMergedOcc 0
7 mol 78 unq 7 iso 0 dist 5.85007 7.17843 5.77326 7.14048 5.62063 6.59794 numMergedOcc 0
8 mol 78 unq 8 iso 0 dist 5.85007 7.17843 5.77326 9.53722 3.81575 8.34957 numMergedOcc 0
9 mol 78 unq 9 iso 0 dist 6.35234 4.4651 5.77326 8.03895 4.75637 7.91148 numMergedOcc 0
10 mol 78 unq 10 iso 0 dist 6.35234 4.4651 5.77326 5.68873 5.62063 6.59794 numMergedOcc 0
11 mol 78 unq 11 iso 0 dist 6.35234 4.4651 5.77326 9.84838 3.81575 8.34957 numMergedOcc 0
12 mol 88 unq 0 iso 0 dist 9.44737 13.7888 7.80898 17.8028 9.11654 9.07128 numMergedOcc 0
13 mol 88 unq 1 iso 0 dist 9.44737 13.7888 7.80898 19.2297 10.8983 6.65615 numMergedOcc 0
14 mol 92 unq 0 iso 0 dist 9.54368 5.1219 7.13008 8.30746 7.35325 4.17838 numMergedOcc 0
15 mol 113 unq 0 iso 0 dist 6.12348 14.0364 8.80934 7.08403 3.52445 7.02367 numMergedOcc 0
16 mol 113 unq 1 iso 0 dist 6.12348 14.0364 8.80934 15.267 10.4701 9.30832 numMergedOcc 0
17 mol 113 unq 2 iso 0 dist 7.2672 12.1308 8.80934 9.88567 3.52445 7.02367 numMergedOcc 0
18 mol 113 unq 3 iso 0 dist 7.2672 12.1308 8.80934 14.4165 10.4701 9.30832 numMergedOcc 0
19 mol 129 unq 0 iso 0 dist 6.53559 6.43966 5.51197 14.109 9.87781 7.97548 numMergedOcc 0
20 mol 129 unq 1 iso 0 dist 6.53559 6.43966 5.51197 14.2262 9.93375 9.64164 numMergedOcc 0
21 mol 129 unq 2 iso 0 dist 8.09774 5.56946 5.51197 7.84813 9.87781 7.97548 numMergedOcc 0
22 mol 129 unq 3 iso 0 dist 8.09774 5.56946 5.51197 12.1544 9.93375 9.64164 numMergedOcc 0
23 mol 129 unq 4 iso 0 dist 7.90844 6.43966 8.86944 14.109 13.8096 7.97548 numMergedOcc 0
24 mol 129 unq 5 iso 0 dist 7.90844 6.43966 8.86944 14.2262 11.221 9.64164 numMergedOcc 0
25 mol 168 unq 0 iso 0 dist 7.30338 12.1014 6.02086 8.00063 3.5168 8.92592 numMergedOcc 0
26 mol 168 unq 1 iso 0 dist 7.30338 12.1014 6.02086 10.8516 5.43054 9.57452 numMergedOcc 0
27 mol 184 unq 0 iso 0 dist 8.27396 4.41193 5.96423 11.7036 9.71065 9.84566 numMergedOcc 0
28 mol 184 unq 1 iso 0 dist 8.27396 4.41193 5.96423 9.10344 3.30691 8.22001 numMergedOcc 0
29 mol 188 unq 0 iso 0 dist 7.6482 6.04074 7.88013 8.85223 3.42559 7.86092 numMergedOcc 0
30 mol 188 unq 1 iso 0 dist 9.30803 6.04074 9.90062 8.85223 6.93096 7.86092 numMergedOcc 0
31 mol 197 unq 0 iso 0 dist 6.0033 7.56497 9.10817 14.0133 17.435 9.23086 numMergedOcc 0
32 mol 204 unq 0 iso 0 dist 6.14128 4.30341 5.94972 9.68316 5.84475 7.16758 numMergedOcc 0
33 mol 205 unq 0 iso 0 dist 6.41148 4.2475 6.49765 8.93485 6.49396 9.31158 numMergedOcc 0
34 mol 205 unq 1 iso 0 dist 5.06713 6.8901 6.49765 5.66636 6.49396 9.31158 numMergedOcc 0
35 mol 219 unq 0 iso 0 dist 6.52136 5.0241 4.33238 12.8918 8.59843 9.64116 numMergedOcc 0
36 mol 257 unq 0 iso 0 dist 8.70029 6.45947 8.83833 14.2356 9.14227 9.6834 numMergedOcc 0
37 mol 270 unq 0 iso 0 dist 6.46935 5.00269 9.31275 7.97614 7.2389 8.65354 numMergedOcc 0
38 mol 270 unq 1 iso 0 dist 5.98384 5.00269 8.56508 7.97614 3.30547 8.65354 numMergedOcc 0
39 mol 285 unq 0 iso 0 dist 5.09181 4.16039 7.80862 9.59733 10.2856 6.71946 numMergedOcc 0
40 mol 285 unq 1 iso 0 dist 5.09181 4.16039 7.80862 9.51087 8.89122 8.28061 numMergedOcc 0
41 mol 285 unq 2 iso 0 dist 5.09181 4.16039 7.80862 5.28731 4.98469 5.03601 numMergedOcc 0
42 mol 292 unq 0 iso 0 dist 5.72473 8.04474 7.20674 11.1568 8.76061 6.69619 numMergedOcc 0
43 mol 292 unq 1 iso 0 dist 5.72473 8.04474 7.20674 10.2196 9.42231 4.49592 numMergedOcc 0
