0 mol 54 unq 0 iso 0 dist 9.5915 4.38047 12.377 6.76462 11.4465 6.14538 2.97898 12.0514 5.27979 7.15034 numMergedOcc 0
1 mol 92 unq 0 iso 0 dist 9.16403 7.7913 10.4698 4.73713 10.1525 5.9465 14.5986 14.3809 6.89071 12.2908 numMergedOcc 0
2 mol 92 unq 1 iso 0 dist 9.16403 7.7913 10.4698 4.36394 12.768 6.97962 14.5986 14.3809 6.89071 13.6054 numMergedOcc 0
3 mol 92 unq 2 iso 0 dist 9.16403 7.7913 10.4698 14.0487 16.3902 9.95342 14.5986 14.3809 6.89071 11.2746 numMergedOcc 0
4 mol 92 unq 3 iso 0 dist 9.59503 7.7913 4.1125 4.73713 8.4545 5.9465 14.5986 7.7399 6.89071 12.2908 numMergedOcc 0
5 mol 92 unq 4 iso 0 dist 9.59503 7.7913 4.1125 4.36394 7.01176 6.97962 14.5986 7.7399 6.89071 13.6054 numMergedOcc 0
6 mol 92 unq 5 iso 0 dist 9.59503 7.7913 4.1125 14.0487 11.7125 9.95342 14.5986 7.7399 6.89071 11.2746 numMergedOcc 0
7 mol 113 unq 0 iso 0 dist 9.64281 5.37302 9.01097 14.0364 8.89481 9.66219 3.77247 9.86767 5.35711 13.0914 numMergedOcc 0
8 mol 113 unq 1 iso 0 dist 9.64281 5.37302 9.01097 14.0364 8.89481 9.66219 7.1034 14.8951 6.23759 15.3211 numMergedOcc 0
9 mol 141 unq 0 iso 0 dist 9.70977 8.01453 10.006 5.91683 15.3277 9.87644 5.51254 12.4982 9.62774 6.80544 numMergedOcc 0
10 mol 168 unq 0 iso 0 dist 9.76722 8.90876 6.62718 12.1014 13.3351 7.44629 7.13766 6.48066 6.12453 12.7437 numMergedOcc 0
11 mol 168 unq 1 iso 0 dist 9.76722 8.90876 6.62718 12.1014 13.3351 7.44629 7.29489 11.6064 9.87447 14.4866 numMergedOcc 0
12 mol 181 unq 0 iso 0 dist 5.75545 5.66363 5.18154 9.47799 10.6635 8.90963 3.55808 8.17301 9.20617 11.618 numMergedOcc 0
13 mol 181 unq 1 iso 0 dist 8.86645 5.97968 5.18154 9.09989 10.6635 8.90963 6.33098 8.17301 9.20617 11.618 numMergedOcc 0
14 mol 188 unq 0 iso 0 dist 9.5523 9.37017 5.23385 4.04545 10.1087 8.10214 11.2153 13.3673 8.4784 8.02684 numMergedOcc 0
15 mol 244 unq 0 iso 0 dist 5.06669 8.08939 4.38246 11.6777 7.65388 5.50492 15.1141 13.0697 9.30179 8.49798 numMergedOcc 0
16 mol 244 unq 1 iso 0 dist 5.06669 8.08939 4.38246 11.6777 7.65388 5.50492 3.62882 5.16859 6.10489 9.54706 numMergedOcc 0
17 mol 244 unq 2 iso 0 dist 5.06669 8.08939 4.38246 11.6777 7.65388 5.50492 7.8506 4.79207 4.4204 4.06591 numMergedOcc 0
18 mol 244 unq 3 iso 0 dist 5.65248 7.33574 4.38246 7.45211 7.65388 5.50492 12.1511 13.0697 9.30179 8.49798 numMergedOcc 0
19 mol 244 unq 4 iso 0 dist 5.65248 7.33574 4.38246 7.45211 7.65388 5.50492 5.2503 5.16859 6.10489 9.54706 numMergedOcc 0
20 mol 244 unq 5 iso 0 dist 5.65248 7.33574 4.38246 7.45211 7.65388 5.50492 3.66626 4.79207 4.4204 4.06591 numMergedOcc 0
21 mol 249 unq 0 iso 0 dist 6.40339 6.58109 4.20164 9.9244 6.37672 5.48118 14.8497 12.1989 8.76518 10.3504 numMergedOcc 0
22 mol 249 unq 1 iso 0 dist 6.40339 6.58109 4.20164 9.9973 9.83485 7.25858 14.8497 12.1989 8.76518 10.9925 numMergedOcc 0
23 mol 258 unq 0 iso 0 dist 8.37512 8.63176 5.32742 8.27707 9.59174 9.63959 10.3385 11.7178 9.36974 4.83605 numMergedOcc 0
24 mol 258 unq 1 iso 0 dist 8.37512 8.63176 5.32742 13.5559 14.8786 9.96262 10.3385 11.7178 9.36974 8.21389 numMergedOcc 0
25 mol 258 unq 2 iso 0 dist 8.37512 8.63176 5.32742 6.48867 9.98141 7.21311 10.3385 11.7178 9.36974 11.9728 numMergedOcc 0
