0 mol 7 unq 0 iso 0 dist 6.36911 6.28925 7.58143 5.03847 9.97624 6.04832 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.36807 8.70159 7.58143 13.8829 9.97624 6.04832 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 7.82528 7.97324 13.3417 15.119 9.85134 22.2107 numMergedOcc 0
3 mol 19 unq 1 iso 0 dist 7.82528 7.97324 13.3417 4.97119 5.82366 12.8082 numMergedOcc 0
4 mol 21 unq 0 iso 0 dist 6.08338 9.35137 8.37543 10.6971 6.93185 6.61889 numMergedOcc 0
5 mol 21 unq 1 iso 0 dist 6.08338 7.81429 7.51251 10.6971 6.93185 14.2242 numMergedOcc 0
6 mol 21 unq 2 iso 0 dist 6.08338 9.39415 5.4965 10.6971 6.93185 11.7242 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 8.70133 9.33919 13.2106 5.11416 7.10439 10.462 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 4.65521 9.79143 13.2106 6.56633 7.10439 10.462 numMergedOcc 0
9 mol 74 unq 0 iso 0 dist 8.96501 9.14563 10.2091 8.1988 8.48471 14.2693 numMergedOcc 0
10 mol 74 unq 1 iso 0 dist 8.96501 6.33741 8.68626 8.1988 8.48471 12.8925 numMergedOcc 0
11 mol 87 unq 0 iso 0 dist 7.51358 8.01624 5.76517 5.95671 7.2268 10.9669 numMergedOcc 0
12 mol 87 unq 1 iso 0 dist 7.51358 8.01624 5.76517 4.33593 9.69219 10.6697 numMergedOcc 0
13 mol 87 unq 2 iso 0 dist 8.93296 8.01624 12.1952 9.9869 9.28624 16.5228 numMergedOcc 0
14 mol 87 unq 3 iso 0 dist 8.93296 8.01624 12.1952 5.95671 8.31175 10.9669 numMergedOcc 0
15 mol 87 unq 4 iso 0 dist 8.32298 7.83004 5.76517 7.93998 7.2268 10.9669 numMergedOcc 0
16 mol 87 unq 5 iso 0 dist 8.32298 7.83004 5.76517 6.09884 9.69219 10.6697 numMergedOcc 0
17 mol 134 unq 0 iso 0 dist 8.94837 8.65986 12.3237 14.2198 6.93279 18.8787 numMergedOcc 0
18 mol 181 unq 0 iso 0 dist 7.98142 8.47008 5.3049 5.63555 5.97685 6.2176 numMergedOcc 0
19 mol 181 unq 1 iso 0 dist 7.37327 8.47008 10.8044 5.63555 8.9289 6.2176 numMergedOcc 0
20 mol 194 unq 0 iso 0 dist 7.58278 7.61316 5.14638 14.8824 9.86703 14.287 numMergedOcc 0
21 mol 225 unq 0 iso 0 dist 5.50387 9.31373 7.96309 8.32583 9.47117 7.83637 numMergedOcc 0
22 mol 234 unq 0 iso 0 dist 9.5707 6.35438 10.0213 10.0059 7.43663 9.38888 numMergedOcc 0
23 mol 234 unq 1 iso 0 dist 9.39181 9.07916 4.86801 5.08515 7.94068 10.1769 numMergedOcc 0
24 mol 234 unq 2 iso 0 dist 9.39181 9.07916 4.86801 12.6661 7.22019 10.7925 numMergedOcc 0
25 mol 234 unq 3 iso 0 dist 9.39181 9.57132 5.16504 5.08515 7.94068 9.38888 numMergedOcc 0
26 mol 234 unq 4 iso 0 dist 9.39181 9.57132 5.16504 12.6661 7.22019 11.9292 numMergedOcc 0
27 mol 235 unq 0 iso 0 dist 6.98084 7.48753 6.12136 6.82855 7.31773 11.8185 numMergedOcc 0
28 mol 256 unq 0 iso 0 dist 5.24676 9.72168 9.71947 5.28793 7.48269 14.8731 numMergedOcc 0
29 mol 256 unq 1 iso 0 dist 5.24676 9.72168 9.71947 4.99672 6.71249 11.6064 numMergedOcc 0
30 mol 256 unq 2 iso 0 dist 5.24676 9.72168 9.71947 7.7384 9.18903 4.73652 numMergedOcc 0
31 mol 259 unq 0 iso 0 dist 7.48005 7.64122 5.15985 8.81835 8.71497 10.9888 numMergedOcc 0
32 mol 284 unq 0 iso 0 dist 4.86729 8.06073 6.36552 4.50325 6.61376 11.7113 numMergedOcc 0
