0 mol 51 unq 0 iso 0 dist 6.67213 6.57102 9.0709 12.7201 13.6102 7.12423 16.5869 18.5377 13.4355 8.55004 numMergedOcc 0
1 mol 61 unq 0 iso 0 dist 5.50504 7.62418 6.65721 10.7324 6.16737 9.22002 12.8926 10.755 10.8063 6.71467 numMergedOcc 0
2 mol 61 unq 1 iso 0 dist 5.50504 6.53977 6.72123 10.7324 6.16737 7.52103 12.8926 10.755 6.66385 6.71467 numMergedOcc 0
3 mol 85 unq 0 iso 0 dist 9.9795 13.0232 6.19965 17.675 9.21014 6.58793 15.04 9.8682 3.85308 7.61312 numMergedOcc 0
4 mol 95 unq 0 iso 0 dist 8.07365 14.1188 7.27724 6.82522 5.33325 9.65047 6.35259 10.2352 13.209 9.02302 numMergedOcc 0
5 mol 95 unq 1 iso 0 dist 6.86713 9.70895 8.03644 9.89353 5.69671 9.65047 11.7257 12.7489 13.209 9.02302 numMergedOcc 0
6 mol 133 unq 0 iso 0 dist 8.66715 14.0905 7.11802 12.5406 6.26797 5.86531 16.451 10.4155 6.25005 4.69402 numMergedOcc 0
7 mol 133 unq 1 iso 0 dist 9.00172 14.0905 8.00618 12.5406 9.73435 5.86531 16.451 11.4588 6.25005 4.69402 numMergedOcc 0
8 mol 133 unq 2 iso 0 dist 8.95433 11.0811 7.11802 13.6484 6.26797 5.86531 16.4296 10.4155 6.25005 4.69402 numMergedOcc 0
9 mol 205 unq 0 iso 0 dist 9.25882 9.40714 7.80463 10.1878 5.87892 5.96555 6.2884 9.3629 4.25942 7.97183 numMergedOcc 0
10 mol 210 unq 0 iso 0 dist 8.58471 10.3518 6.18308 11.8094 3.84723 8.62103 10.4085 6.53736 11.5481 5.33103 numMergedOcc 0
11 mol 210 unq 1 iso 0 dist 8.58471 10.3518 6.18308 11.8094 3.84723 8.62103 9.24214 8.18851 8.72811 9.01301 numMergedOcc 0
12 mol 214 unq 0 iso 0 dist 9.43611 11.2069 8.82096 10.3158 4.55245 4.84709 14.6921 10.8385 3.99247 7.1951 numMergedOcc 0
13 mol 229 unq 0 iso 0 dist 6.32302 6.52416 8.22528 12.18 8.65216 8.6537 17.4328 14.4018 12.696 5.75755 numMergedOcc 0
14 mol 229 unq 1 iso 0 dist 6.88694 6.52416 7.03423 12.18 10.7439 8.6537 17.4328 15.825 12.696 5.75755 numMergedOcc 0
15 mol 229 unq 2 iso 0 dist 8.53615 6.81165 8.22528 4.38586 8.65216 8.6537 8.28178 14.4018 12.696 5.75755 numMergedOcc 0
16 mol 236 unq 0 iso 0 dist 5.77925 12.1686 9.99038 15.2153 11.2013 5.66569 12.9448 9.97357 10.2557 8.20542 numMergedOcc 0
17 mol 236 unq 1 iso 0 dist 5.77925 12.1686 9.99038 18.1054 15.1664 6.11137 17.6949 16.3801 6.49831 5.6568 numMergedOcc 0
18 mol 238 unq 0 iso 0 dist 9.39537 9.53107 6.57393 16.4805 10.3859 9.13537 18.2746 15.3066 9.76195 9.29888 numMergedOcc 0
19 mol 258 unq 0 iso 0 dist 9.2067 9.88911 6.42289 14.5631 7.52881 5.73834 15.6893 8.81059 9.78068 9.52903 numMergedOcc 0
