0 mol 25 unq 0 iso 0 dist 8.41008 7.0928 12.4427 6.32132 8.23292 5.04899 12.8208 16.5953 5.8503 8.6396 numMergedOcc 0
1 mol 59 unq 0 iso 0 dist 5.8166 8.97292 6.34748 7.2878 9.05547 6.85766 9.76644 6.07398 5.34079 8.05508 numMergedOcc 0
2 mol 59 unq 1 iso 0 dist 6.47468 8.97292 13.0793 7.2878 12.9592 6.85766 9.76644 11.9466 5.34079 8.05508 numMergedOcc 0
3 mol 114 unq 0 iso 0 dist 5.66196 6.06543 8.47567 5.51609 11.0684 7.35754 6.34761 6.11054 4.1386 9.44713 numMergedOcc 0
4 mol 127 unq 0 iso 0 dist 9.57623 9.79448 8.89539 6.02237 6.66607 9.30299 14.0423 9.88569 8.60326 9.42513 numMergedOcc 0
5 mol 129 unq 0 iso 0 dist 7.48833 8.14071 5.99695 13.1328 10.482 5.83384 17.5691 12.2874 10.0961 6.38163 numMergedOcc 0
6 mol 131 unq 0 iso 0 dist 8.95717 6.38977 11.3296 6.82985 15.0724 8.40312 8.74464 16.25 5.6098 6.31125 numMergedOcc 0
7 mol 131 unq 1 iso 0 dist 8.95717 9.69757 15.665 6.82985 15.0724 7.12972 8.74464 16.25 4.29914 6.31125 numMergedOcc 0
8 mol 132 unq 0 iso 0 dist 7.14447 9.0339 11.6877 15.9368 17.544 7.7059 11.9089 11.926 4.90475 8.7366 numMergedOcc 0
9 mol 167 unq 0 iso 0 dist 6.5782 6.64164 6.43506 5.361 7.83781 9.87651 8.01303 5.30254 8.66436 5.59806 numMergedOcc 0
10 mol 214 unq 0 iso 0 dist 9.66533 9.01896 11.3575 7.3913 11.9696 8.82096 6.22499 9.18058 4.55245 4.84709 numMergedOcc 0
11 mol 238 unq 0 iso 0 dist 7.00773 9.82174 9.4693 10.4397 10.639 6.57393 11.5196 6.09075 10.3859 9.13537 numMergedOcc 0
12 mol 238 unq 1 iso 0 dist 7.00773 9.2521 13.931 12.8083 15.3135 6.22714 20.1729 21.8258 12.2428 9.66555 numMergedOcc 0
13 mol 238 unq 2 iso 0 dist 7.00773 9.2521 13.931 12.8083 15.3135 6.22714 17.3899 20.5071 8.66185 8.67205 numMergedOcc 0
14 mol 259 unq 0 iso 0 dist 9.33299 6.49599 7.32419 14.1932 13.3627 8.13497 16.214 12.9614 10.4985 5.90645 numMergedOcc 0
15 mol 259 unq 1 iso 0 dist 9.49732 6.49599 11.0067 14.1932 16.342 8.13497 16.214 20.7962 10.4985 5.90645 numMergedOcc 0
16 mol 294 unq 0 iso 0 dist 9.2924 7.1984 6.6414 6.23921 11.4441 8.15665 13.2619 14.1615 10.2761 7.98617 numMergedOcc 0
