0 mol 7 unq 0 iso 0 dist 6.36911 6.28925 7.58143 9.87885 7.92429 5.35168 5.03847 9.97624 6.04832 11.2901 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.36807 8.70159 7.58143 6.1206 7.92429 5.35168 13.8829 9.97624 6.04832 11.2901 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 9.36807 8.70159 7.58143 7.67927 11.2233 10.1219 13.8829 9.97624 6.04832 16.0449 numMergedOcc 0
3 mol 21 unq 0 iso 0 dist 6.08338 9.35137 8.37543 5.93898 4.28381 4.32991 10.6971 6.93185 6.61889 6.28263 numMergedOcc 0
4 mol 21 unq 1 iso 0 dist 6.08338 7.81429 7.51251 5.93898 4.28381 9.28636 10.6971 6.93185 14.2242 6.28263 numMergedOcc 0
5 mol 21 unq 2 iso 0 dist 6.08338 9.39415 5.4965 5.93898 4.28381 8.91628 10.6971 6.93185 11.7242 6.28263 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 8.70133 9.33919 13.2106 9.73086 6.15714 10.4668 5.11416 7.10439 10.462 6.14542 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 4.65521 9.79143 13.2106 8.68662 6.10063 12.8099 6.56633 7.10439 10.462 8.96616 numMergedOcc 0
8 mol 73 unq 2 iso 0 dist 4.65521 9.79143 13.2106 7.4369 6.15714 10.4668 6.56633 7.10439 10.462 6.14542 numMergedOcc 0
9 mol 74 unq 0 iso 0 dist 8.96501 9.14563 10.2091 7.93281 5.38404 7.64117 8.1988 8.48471 14.2693 11.9224 numMergedOcc 0
10 mol 74 unq 1 iso 0 dist 8.96501 6.33741 8.68626 7.93281 5.38404 4.40012 8.1988 8.48471 12.8925 11.9224 numMergedOcc 0
11 mol 134 unq 0 iso 0 dist 8.94837 8.65986 12.3237 9.00918 5.58312 15.3248 14.2198 6.93279 18.8787 7.83568 numMergedOcc 0
12 mol 134 unq 1 iso 0 dist 8.94837 8.65986 12.3237 7.99477 9.61537 15.8799 14.2198 6.93279 18.8787 12.0743 numMergedOcc 0
13 mol 181 unq 0 iso 0 dist 7.98142 8.47008 5.3049 6.64173 4.48306 7.11838 5.63555 5.97685 6.2176 8.12266 numMergedOcc 0
14 mol 181 unq 1 iso 0 dist 7.98142 8.47008 5.3049 9.01624 12.2513 8.25265 5.63555 5.97685 6.2176 10.5303 numMergedOcc 0
15 mol 181 unq 2 iso 0 dist 7.98142 8.47008 5.3049 9.55105 10.2172 5.42919 5.63555 5.97685 6.2176 9.43306 numMergedOcc 0
16 mol 181 unq 3 iso 0 dist 7.37327 8.47008 10.8044 6.64173 4.88823 7.11838 5.63555 8.9289 6.2176 8.12266 numMergedOcc 0
17 mol 181 unq 4 iso 0 dist 7.37327 8.47008 10.8044 9.01624 14.8923 8.25265 5.63555 8.9289 6.2176 10.5303 numMergedOcc 0
18 mol 181 unq 5 iso 0 dist 7.37327 8.47008 10.8044 9.55105 14.2334 5.42919 5.63555 8.9289 6.2176 9.43306 numMergedOcc 0
19 mol 225 unq 0 iso 0 dist 5.50387 9.31373 7.96309 8.1945 3.92979 5.95485 8.32583 9.47117 7.83637 10.7064 numMergedOcc 0
20 mol 234 unq 0 iso 0 dist 9.5707 6.35438 10.0213 7.81215 11.8229 4.76962 10.0059 7.43663 9.38888 7.77911 numMergedOcc 0
21 mol 234 unq 1 iso 0 dist 9.39181 9.07916 4.86801 5.64285 6.45373 5.43679 5.08515 7.94068 10.1769 7.77911 numMergedOcc 0
22 mol 234 unq 2 iso 0 dist 9.39181 9.07916 4.86801 5.64285 6.45373 5.43679 12.6661 7.22019 10.7925 12.6164 numMergedOcc 0
23 mol 234 unq 3 iso 0 dist 9.39181 9.57132 5.16504 5.64285 6.45373 4.76962 5.08515 7.94068 9.38888 7.77911 numMergedOcc 0
24 mol 234 unq 4 iso 0 dist 9.39181 9.57132 5.16504 5.64285 6.45373 4.76962 12.6661 7.22019 11.9292 12.6164 numMergedOcc 0
25 mol 235 unq 0 iso 0 dist 6.98084 7.48753 6.12136 8.19317 4.47008 5.67913 6.82855 7.31773 11.8185 8.97952 numMergedOcc 0
26 mol 235 unq 1 iso 0 dist 6.98084 7.48753 6.12136 6.29377 7.34601 4.80217 6.82855 7.31773 11.8185 10.1845 numMergedOcc 0
27 mol 259 unq 0 iso 0 dist 7.48005 7.64122 5.15985 9.63573 9.98303 5.82108 8.81835 8.71497 10.9888 11.547 numMergedOcc 0
28 mol 259 unq 1 iso 0 dist 7.48005 7.64122 5.15985 7.66153 14.0829 11.464 8.81835 8.71497 10.9888 14.6679 numMergedOcc 0
29 mol 284 unq 0 iso 0 dist 4.86729 8.06073 6.36552 5.83329 7.67245 5.22292 4.50325 6.61376 11.7113 10.2645 numMergedOcc 0
