0 mol 0 unq 0 iso 0 dist 7.65806 9.19007 9.64573 9.67081 8.29174 16.5238 7.02374 12.7627 7.92928 16.6667 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 8.41585 7.88043 10.2446 7.78327 13.5229 10.6558 12.2708 10.672 9.55056 18.6994 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 8.41585 7.88043 10.2446 7.78327 13.5229 10.6558 6.06176 6.36911 7.45262 13.2302 numMergedOcc 0
3 mol 7 unq 2 iso 0 dist 8.41585 8.80762 12.3097 7.78327 13.5229 13.5227 12.2708 10.672 7.57354 18.6994 numMergedOcc 0
4 mol 7 unq 3 iso 0 dist 8.41585 8.80762 12.3097 7.78327 13.5229 13.5227 6.06176 6.36911 6.96586 13.2302 numMergedOcc 0
5 mol 112 unq 0 iso 0 dist 7.71338 6.43433 8.56707 6.87434 4.69658 4.25001 6.72991 11.6597 7.82011 9.81737 numMergedOcc 0
6 mol 114 unq 0 iso 0 dist 7.5732 6.34525 11.128 9.93438 6.25685 13.7162 5.31367 12.383 8.06525 12.6545 numMergedOcc 0
7 mol 120 unq 0 iso 0 dist 8.75408 8.93905 7.27181 6.42623 5.6295 9.23272 8.94259 12.865 8.43028 13.8196 numMergedOcc 0
8 mol 120 unq 1 iso 0 dist 8.75408 8.93905 7.27181 8.95899 8.97962 14.3708 8.94259 12.865 8.43028 15.4189 numMergedOcc 0
9 mol 120 unq 2 iso 0 dist 6.44653 8.93905 10.5192 6.42623 3.824 9.23272 8.94259 13.6677 8.43028 13.8196 numMergedOcc 0
10 mol 120 unq 3 iso 0 dist 6.44653 8.93905 10.5192 8.95899 4.96885 14.3708 8.94259 13.6677 8.43028 15.4189 numMergedOcc 0
11 mol 131 unq 0 iso 0 dist 6.85062 9.29384 9.32969 8.80895 11.6692 9.6795 7.00551 11.0153 9.39683 13.4742 numMergedOcc 0
12 mol 143 unq 0 iso 0 dist 5.99315 8.41611 12.7056 8.99891 9.14188 7.87644 5.44503 9.93541 6.40901 8.08798 numMergedOcc 0
13 mol 143 unq 1 iso 0 dist 5.99315 7.63338 12.8872 8.99891 9.14188 13.5899 6.01455 9.27292 8.1582 14.9694 numMergedOcc 0
14 mol 143 unq 2 iso 0 dist 5.99315 7.63338 12.8872 8.99891 9.14188 13.5899 5.44503 9.93541 9.40626 8.08798 numMergedOcc 0
15 mol 143 unq 3 iso 0 dist 5.99315 7.25673 9.23795 8.99891 9.14188 12.6218 6.01455 9.27292 7.88655 14.9694 numMergedOcc 0
16 mol 175 unq 0 iso 0 dist 9.29945 7.35824 12.5754 9.19156 13.8965 14.7729 11.1651 15.9448 7.01126 19.9234 numMergedOcc 0
17 mol 175 unq 1 iso 0 dist 9.29945 9.17364 10.0424 9.19156 13.8965 18.0583 11.1651 15.9448 6.58434 19.9234 numMergedOcc 0
18 mol 178 unq 0 iso 0 dist 6.69288 4.92088 10.1489 4.72821 4.69387 8.56547 5.25267 10.5498 5.98771 9.8525 numMergedOcc 0
19 mol 178 unq 1 iso 0 dist 6.43573 4.92088 8.27339 4.72821 3.70233 8.56547 5.25267 11.4139 5.98771 9.8525 numMergedOcc 0
20 mol 178 unq 2 iso 0 dist 7.17202 4.92088 9.79302 4.72821 7.39705 8.56547 5.25267 10.2288 5.98771 9.8525 numMergedOcc 0
21 mol 178 unq 3 iso 0 dist 8.81551 4.92088 8.65097 4.72821 9.77268 8.56547 5.25267 11.4815 5.98771 9.8525 numMergedOcc 0
22 mol 205 unq 0 iso 0 dist 7.26832 5.60393 5.28092 7.13783 13.3822 12.0319 6.23291 9.19704 5.42696 12.4189 numMergedOcc 0
23 mol 214 unq 0 iso 0 dist 8.82096 8.46327 10.2399 9.06459 4.15355 13.3401 10.7373 12.3623 7.2498 14.5432 numMergedOcc 0
24 mol 248 unq 0 iso 0 dist 7.69895 6.17052 5.99459 7.79063 6.19721 4.91893 6.48757 6.07192 8.53148 10.7209 numMergedOcc 0
25 mol 248 unq 1 iso 0 dist 7.21521 9.77666 5.99459 9.64778 6.19721 4.91893 5.51827 6.07192 8.53148 10.7209 numMergedOcc 0
26 mol 261 unq 0 iso 0 dist 8.45658 8.60026 6.04016 8.24356 11.4108 11.1232 5.22253 7.47164 9.24121 12.8776 numMergedOcc 0
