0 mol 26 unq 0 iso 0 dist 8.8533 14.1116 7.61055 4.18634 6.73167 10.267 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 8.8533 14.1116 7.61055 13.421 7.40948 6.77624 numMergedOcc 0
2 mol 26 unq 2 iso 0 dist 6.87744 6.23975 7.61055 12.7209 6.73167 10.267 numMergedOcc 0
3 mol 26 unq 3 iso 0 dist 6.87744 6.23975 7.61055 9.09086 7.40948 6.77624 numMergedOcc 0
4 mol 34 unq 0 iso 0 dist 8.8717 10.8155 9.36424 6.65242 9.58596 5.31195 numMergedOcc 0
5 mol 68 unq 0 iso 0 dist 5.94459 9.67231 8.80104 4.60844 8.05514 11.8533 numMergedOcc 0
6 mol 74 unq 0 iso 0 dist 5.50438 6.21762 8.2657 8.78588 7.94725 8.22956 numMergedOcc 0
7 mol 74 unq 1 iso 0 dist 8.97568 11.4527 8.2657 13.0366 7.94725 8.22956 numMergedOcc 0
8 mol 74 unq 2 iso 0 dist 6.2442 5.2745 4.79413 4.4368 6.3567 5.38404 numMergedOcc 0
9 mol 112 unq 0 iso 0 dist 5.9819 10.4394 7.82011 10.5025 5.43933 8.36589 numMergedOcc 0
10 mol 112 unq 1 iso 0 dist 5.9819 10.4394 7.82011 9.50897 4.99604 4.89178 numMergedOcc 0
11 mol 112 unq 2 iso 0 dist 5.9819 10.4394 7.82011 13.6247 9.97483 10.119 numMergedOcc 0
12 mol 112 unq 3 iso 0 dist 5.9819 10.4394 7.82011 4.9759 7.44041 9.69404 numMergedOcc 0
13 mol 154 unq 0 iso 0 dist 6.03116 10.4329 7.53158 13.1744 9.82982 12.9875 numMergedOcc 0
14 mol 154 unq 1 iso 0 dist 6.03116 7.55279 7.43407 13.1744 9.82982 11.8727 numMergedOcc 0
15 mol 158 unq 0 iso 0 dist 5.32135 5.65278 7.35329 6.72578 5.48379 5.80353 numMergedOcc 0
16 mol 158 unq 1 iso 0 dist 9.03736 6.69736 7.35329 11.1589 5.48379 5.80353 numMergedOcc 0
17 mol 171 unq 0 iso 0 dist 9.95454 7.76433 5.73148 16.9762 9.13027 11.9654 numMergedOcc 0
18 mol 193 unq 0 iso 0 dist 9.19696 14.6915 8.76185 9.77891 7.39445 14.0247 numMergedOcc 0
19 mol 195 unq 0 iso 0 dist 8.22643 14.4982 9.79691 9.54898 6.34234 10.5776 numMergedOcc 0
20 mol 195 unq 1 iso 0 dist 8.22643 14.4982 9.79691 11.5968 7.87972 4.18074 numMergedOcc 0
21 mol 198 unq 0 iso 0 dist 5.33789 11.3414 8.15936 10.2325 8.8864 4.12366 numMergedOcc 0
22 mol 198 unq 1 iso 0 dist 5.33789 11.3414 8.15936 8.89394 8.12201 8.27289 numMergedOcc 0
23 mol 198 unq 2 iso 0 dist 5.33789 11.3414 8.15936 4.91277 5.45162 7.09645 numMergedOcc 0
24 mol 198 unq 3 iso 0 dist 5.33789 11.6406 8.16598 10.2325 8.8864 5.7714 numMergedOcc 0
25 mol 198 unq 4 iso 0 dist 5.33789 11.6406 8.16598 8.89394 8.12201 5.50315 numMergedOcc 0
26 mol 198 unq 5 iso 0 dist 5.33789 11.6406 8.16598 4.91277 5.45162 8.18633 numMergedOcc 0
27 mol 198 unq 6 iso 0 dist 7.27215 9.61596 8.15936 9.78748 8.8864 4.12366 numMergedOcc 0
28 mol 198 unq 7 iso 0 dist 7.27215 9.61596 8.15936 12.0849 8.12201 8.27289 numMergedOcc 0
29 mol 198 unq 8 iso 0 dist 7.27215 9.61596 8.15936 6.12389 5.45162 7.09645 numMergedOcc 0
30 mol 198 unq 9 iso 0 dist 7.27215 12.7168 8.16598 9.78748 8.8864 5.7714 numMergedOcc 0
31 mol 198 unq 10 iso 0 dist 7.27215 12.7168 8.16598 12.0849 8.12201 5.50315 numMergedOcc 0
32 mol 198 unq 11 iso 0 dist 7.27215 12.7168 8.16598 6.12389 5.45162 8.18633 numMergedOcc 0
33 mol 250 unq 0 iso 0 dist 9.26007 5.99898 8.70484 9.01873 7.22664 9.91231 numMergedOcc 0
34 mol 250 unq 1 iso 0 dist 9.26007 5.99898 8.70484 3.96634 7.15762 8.25599 numMergedOcc 0
35 mol 252 unq 0 iso 0 dist 8.62351 7.02444 5.2361 7.51673 8.19529 4.21466 numMergedOcc 0
36 mol 252 unq 1 iso 0 dist 8.62351 7.02444 5.2361 9.93939 6.45396 6.19861 numMergedOcc 0
37 mol 252 unq 2 iso 0 dist 8.62351 13.7396 5.57515 7.51673 8.19529 11.9287 numMergedOcc 0
38 mol 252 unq 3 iso 0 dist 8.62351 13.7396 5.57515 9.93939 6.45396 7.84988 numMergedOcc 0
39 mol 252 unq 4 iso 0 dist 8.62351 14.6186 8.28694 7.51673 8.19529 11.5083 numMergedOcc 0
40 mol 252 unq 5 iso 0 dist 8.62351 14.6186 8.28694 9.93939 6.45396 6.38319 numMergedOcc 0
41 mol 252 unq 6 iso 0 dist 9.44744 8.26489 6.57207 16.3896 9.39658 9.43777 numMergedOcc 0
42 mol 252 unq 7 iso 0 dist 6.94319 8.26489 5.2361 10.1704 8.19529 4.21466 numMergedOcc 0
43 mol 252 unq 8 iso 0 dist 6.94319 8.26489 5.2361 7.35069 6.45396 6.19861 numMergedOcc 0
44 mol 252 unq 9 iso 0 dist 6.94319 5.76518 5.57515 10.1704 8.19529 11.9287 numMergedOcc 0
45 mol 252 unq 10 iso 0 dist 6.94319 5.76518 5.57515 7.35069 6.45396 7.84988 numMergedOcc 0
46 mol 252 unq 11 iso 0 dist 6.94319 7.48536 8.28694 10.1704 8.19529 11.5083 numMergedOcc 0
47 mol 252 unq 12 iso 0 dist 6.94319 7.48536 8.28694 7.35069 6.45396 6.38319 numMergedOcc 0
48 mol 270 unq 0 iso 0 dist 8.2483 8.04907 6.31869 9.76047 7.39185 4.4142 numMergedOcc 0
49 mol 270 unq 1 iso 0 dist 8.2483 8.04907 6.31869 5.26516 8.20158 3.98629 numMergedOcc 0
50 mol 272 unq 0 iso 0 dist 5.84259 7.653 6.98048 5.87335 9.30437 12.7895 numMergedOcc 0
51 mol 284 unq 0 iso 0 dist 8.79958 8.84794 8.27054 16.3287 9.07503 9.97692 numMergedOcc 0
52 mol 284 unq 1 iso 0 dist 8.79958 8.84794 8.27054 15.4224 7.63256 10.6148 numMergedOcc 0
