0 mol 8 unq 0 iso 0 dist 7.77271 7.0822 6.26865 4.92734 4.85329 8.33604 7.35767 10.2611 8.27181 8.96553 numMergedOcc 0
1 mol 45 unq 0 iso 0 dist 7.62709 10.82 8.59109 15.1355 9.01651 7.06308 15.4167 12.1257 4.71384 6.43774 numMergedOcc 0
2 mol 45 unq 1 iso 0 dist 7.62709 10.82 8.59109 12.2143 6.89191 6.34173 15.4167 12.1257 4.71384 7.2846 numMergedOcc 0
3 mol 45 unq 2 iso 0 dist 7.62709 10.82 8.59109 12.2143 6.89191 6.34173 8.60899 9.20119 5.67689 7.58835 numMergedOcc 0
4 mol 45 unq 3 iso 0 dist 7.61402 13.4742 8.13782 22.5023 16.2375 9.20119 19.2907 14.4997 6.89191 7.58835 numMergedOcc 0
5 mol 59 unq 0 iso 0 dist 7.37607 6.13182 6.5096 10.4837 5.33688 8.24062 10.6897 6.71911 5.3525 7.71095 numMergedOcc 0
6 mol 59 unq 1 iso 0 dist 7.37607 6.13182 6.5096 10.4837 5.33688 8.24062 13.6159 12.8699 11.0387 8.84665 numMergedOcc 0
7 mol 59 unq 2 iso 0 dist 7.37607 6.13182 6.5096 10.4837 5.33688 8.24062 14.1931 11.6249 9.15805 8.25513 numMergedOcc 0
8 mol 88 unq 0 iso 0 dist 9.0321 9.79441 7.71582 14.2584 5.90098 8.66514 14.2773 9.15979 8.4283 9.36773 numMergedOcc 0
9 mol 88 unq 1 iso 0 dist 9.0321 9.18604 6.65776 14.2584 5.90098 9.25235 14.2773 9.15979 5.37521 9.36773 numMergedOcc 0
10 mol 156 unq 0 iso 0 dist 9.40225 11.9162 6.90155 9.19499 7.29758 9.36805 5.66289 6.27641 6.29785 7.44554 numMergedOcc 0
11 mol 156 unq 1 iso 0 dist 9.40225 11.9162 6.90155 13.581 4.53931 7.55203 5.66289 6.27641 6.29785 9.83699 numMergedOcc 0
12 mol 156 unq 2 iso 0 dist 7.49255 9.42317 6.90155 12.0499 7.29758 9.36805 5.69897 6.27641 6.29785 7.44554 numMergedOcc 0
13 mol 156 unq 3 iso 0 dist 7.49255 9.42317 6.90155 11.7321 4.53931 7.55203 5.69897 6.27641 6.29785 9.83699 numMergedOcc 0
14 mol 156 unq 4 iso 0 dist 4.94012 4.71629 6.90155 10.0213 7.29758 9.36805 4.68187 6.27641 6.29785 7.44554 numMergedOcc 0
15 mol 156 unq 5 iso 0 dist 4.94012 4.71629 6.90155 7.98018 4.53931 7.55203 4.68187 6.27641 6.29785 9.83699 numMergedOcc 0
16 mol 175 unq 0 iso 0 dist 9.15536 10.9709 4.79852 17.5589 11.0415 9.8589 10.5343 9.31887 8.22779 9.0018 numMergedOcc 0
17 mol 175 unq 1 iso 0 dist 9.15536 10.9709 4.79852 17.5589 11.0415 9.8589 16.6254 12.816 10.5631 5.6234 numMergedOcc 0
18 mol 175 unq 2 iso 0 dist 9.15536 10.9709 4.79852 17.5589 11.0415 9.8589 16.5123 11.3137 7.5414 6.57069 numMergedOcc 0
19 mol 175 unq 3 iso 0 dist 9.15536 10.9709 4.79852 11.5905 5.0384 7.24908 10.5343 9.31887 8.22779 7.652 numMergedOcc 0
20 mol 175 unq 4 iso 0 dist 9.15536 10.9709 4.79852 11.5905 5.0384 7.24908 16.6254 12.816 10.5631 9.92231 numMergedOcc 0
21 mol 181 unq 0 iso 0 dist 7.88787 9.91634 8.20656 14.2552 8.25067 6.94688 15.5097 13.2702 6.25083 9.1374 numMergedOcc 0
22 mol 181 unq 1 iso 0 dist 7.88787 9.91634 8.20656 14.2552 8.25067 6.94688 13.7565 10.8351 5.86342 5.98885 numMergedOcc 0
23 mol 181 unq 2 iso 0 dist 7.88787 9.91634 8.20656 14.2552 8.25067 6.94688 10.2898 9.6668 6.80228 9.15386 numMergedOcc 0
24 mol 181 unq 3 iso 0 dist 7.88787 13.2318 9.40622 14.2552 8.25067 6.71012 15.5097 13.2702 4.77278 9.1374 numMergedOcc 0
25 mol 181 unq 4 iso 0 dist 7.88787 13.2318 9.40622 14.2552 8.25067 6.71012 13.7565 10.8351 9.14057 5.98885 numMergedOcc 0
26 mol 181 unq 5 iso 0 dist 7.88787 13.2318 9.40622 14.2552 8.25067 6.71012 10.2898 9.6668 11.6919 9.15386 numMergedOcc 0
27 mol 181 unq 6 iso 0 dist 9.30874 10.168 8.20656 13.7299 6.80228 9.6668 5.114 6.94688 8.25067 9.15386 numMergedOcc 0
28 mol 181 unq 7 iso 0 dist 5.54873 10.168 9.40622 13.7299 11.6919 9.6668 5.114 6.71012 8.25067 9.15386 numMergedOcc 0
29 mol 224 unq 0 iso 0 dist 6.04427 5.56344 4.55996 10.6043 7.67202 8.19953 14.0352 11.1518 8.64911 9.40098 numMergedOcc 0
30 mol 224 unq 1 iso 0 dist 6.04427 5.56344 4.55996 10.6043 7.67202 8.19953 13.1803 12.6391 10.7113 6.61986 numMergedOcc 0
31 mol 224 unq 2 iso 0 dist 6.33797 7.21175 4.55996 12.0013 7.67202 8.19953 10.5383 11.1518 8.64911 9.40098 numMergedOcc 0
32 mol 224 unq 3 iso 0 dist 6.33797 7.21175 4.55996 12.0013 7.67202 8.19953 16.3228 12.6391 10.7113 6.61986 numMergedOcc 0
33 mol 224 unq 4 iso 0 dist 9.97425 4.92261 8.89778 7.07564 9.36098 6.87664 11.8217 7.06793 7.98696 8.95269 numMergedOcc 0
34 mol 224 unq 5 iso 0 dist 9.97425 4.92261 8.89778 7.07564 9.36098 6.87664 10.8463 10.0414 7.12232 6.57273 numMergedOcc 0
35 mol 224 unq 6 iso 0 dist 9.97425 4.92261 8.89778 7.07564 9.36098 6.87664 5.44863 12.7072 5.3621 5.78342 numMergedOcc 0
36 mol 224 unq 7 iso 0 dist 8.39753 6.78064 8.89778 10.9817 9.36098 6.87664 11.9904 7.06793 7.98696 8.95269 numMergedOcc 0
37 mol 224 unq 8 iso 0 dist 8.39753 6.78064 8.89778 10.9817 9.36098 6.87664 13.0574 10.0414 7.12232 6.57273 numMergedOcc 0
38 mol 224 unq 9 iso 0 dist 8.39753 6.78064 8.89778 10.9817 9.36098 6.87664 10.366 12.7072 5.3621 5.78342 numMergedOcc 0
39 mol 238 unq 0 iso 0 dist 6.89542 5.92575 6.65088 11.6421 8.82861 7.02475 15.2667 9.38422 11.2717 7.31233 numMergedOcc 0
40 mol 238 unq 1 iso 0 dist 6.89542 5.30958 6.5772 11.6421 8.82861 7.67322 15.2667 9.38422 12.6986 7.31233 numMergedOcc 0
41 mol 238 unq 2 iso 0 dist 6.89542 12.3809 6.17025 16.4478 12.1252 7.49471 15.2667 9.38422 5.17471 6.22714 numMergedOcc 0
42 mol 238 unq 3 iso 0 dist 6.89542 12.3809 6.17025 11.6421 8.82861 7.19008 15.2667 9.38422 5.17471 7.31233 numMergedOcc 0
43 mol 239 unq 0 iso 0 dist 8.5166 10.9676 6.34801 13.742 6.26168 7.20082 9.78463 7.39747 7.04058 7.00034 numMergedOcc 0
