0 mol 11 unq 0 iso 0 dist 6.84216 8.68293 14.8738 4.10106 9.89425 9.32171 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 7.98005 8.31381 6.92384 7.11305 8.97754 13.5629 numMergedOcc 0
2 mol 41 unq 0 iso 0 dist 6.40219 9.17982 4.89793 7.18662 5.47447 8.90309 numMergedOcc 0
3 mol 41 unq 1 iso 0 dist 6.40219 9.62869 10.876 7.18662 5.47447 12.5127 numMergedOcc 0
4 mol 58 unq 0 iso 0 dist 8.34191 6.39747 5.96988 6.18181 9.86895 10.1689 numMergedOcc 0
5 mol 68 unq 0 iso 0 dist 8.06267 5.88334 3.20411 5.74372 9.63906 7.71872 numMergedOcc 0
6 mol 68 unq 1 iso 0 dist 5.88334 8.06267 3.20411 5.74372 7.71872 9.63906 numMergedOcc 0
7 mol 69 unq 0 iso 0 dist 9.58351 9.83836 8.81968 5.10993 9.14801 10.4042 numMergedOcc 0
8 mol 79 unq 0 iso 0 dist 5.25027 4.37025 5.30569 5.80367 7.92114 8.8955 numMergedOcc 0
9 mol 79 unq 1 iso 0 dist 5.25027 4.37025 5.30569 10.1442 8.18375 10.6844 numMergedOcc 0
10 mol 85 unq 0 iso 0 dist 7.69926 5.85237 2.58673 6.92455 4.29937 5.37869 numMergedOcc 0
11 mol 85 unq 1 iso 0 dist 7.69926 5.85237 2.58673 7.01366 3.65628 4.05415 numMergedOcc 0
12 mol 85 unq 2 iso 0 dist 7.69926 5.85237 2.58673 14.8822 9.77774 9.97944 numMergedOcc 0
13 mol 85 unq 3 iso 0 dist 5.85237 7.69926 2.58673 6.92455 5.37869 4.29937 numMergedOcc 0
14 mol 85 unq 4 iso 0 dist 5.85237 7.69926 2.58673 7.01366 4.05415 3.65628 numMergedOcc 0
15 mol 85 unq 5 iso 0 dist 5.85237 7.69926 2.58673 14.8822 9.97944 9.77774 numMergedOcc 0
16 mol 113 unq 0 iso 0 dist 9.59585 9.7073 9.78508 5.70579 4.30875 8.65807 numMergedOcc 0
17 mol 113 unq 1 iso 0 dist 9.7073 9.59585 9.78508 5.70579 8.65807 4.30875 numMergedOcc 0
18 mol 115 unq 0 iso 0 dist 6.19918 5.93278 3.19822 4.03602 9.45013 9.81886 numMergedOcc 0
19 mol 120 unq 0 iso 0 dist 8.38358 7.53694 5.26524 7.64591 9.98772 12.1141 numMergedOcc 0
20 mol 152 unq 0 iso 0 dist 6.79114 7.59457 6.01609 4.94983 8.60651 10.6225 numMergedOcc 0
21 mol 169 unq 0 iso 0 dist 9.37946 9.13646 9.48187 5.7891 4.11374 8.37602 numMergedOcc 0
22 mol 169 unq 1 iso 0 dist 9.37946 8.34216 12.9271 5.7891 4.11374 10.7555 numMergedOcc 0
23 mol 169 unq 2 iso 0 dist 9.13646 9.37946 9.48187 5.7891 8.37602 4.11374 numMergedOcc 0
24 mol 169 unq 3 iso 0 dist 9.13646 8.34216 5.14059 5.7891 8.37602 10.7555 numMergedOcc 0
25 mol 184 unq 0 iso 0 dist 8.22001 9.84566 10.045 4.08775 7.25623 12.4197 numMergedOcc 0
26 mol 231 unq 0 iso 0 dist 7.3268 9.9868 13.1222 4.15084 8.48015 10.3218 numMergedOcc 0
27 mol 253 unq 0 iso 0 dist 8.94786 9.1927 6.8233 10.1605 9.454 14.4242 numMergedOcc 0
28 mol 253 unq 1 iso 0 dist 8.94786 9.60694 15.2509 10.1605 9.454 19.674 numMergedOcc 0
29 mol 253 unq 2 iso 0 dist 8.94786 9.27311 17.0369 10.1605 9.454 19.0779 numMergedOcc 0
30 mol 277 unq 0 iso 0 dist 4.9764 6.36559 3.41319 3.97543 5.13533 8.0969 numMergedOcc 0
31 mol 292 unq 0 iso 0 dist 9.96374 5.41432 8.12358 17.5073 9.21469 16.2796 numMergedOcc 0
