0 mol 0 unq 0 iso 0 dist 6.8892 5.55156 5.85361 7.1599 11.788 7.15528 14.4883 15.5953 10.4498 9.23213 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 6.8892 5.55156 5.85361 7.1599 11.788 7.15528 9.45712 10.7068 5.52201 8.81979 numMergedOcc 0
2 mol 115 unq 0 iso 0 dist 8.80824 6.09472 6.80053 5.74878 9.70616 4.99221 8.81198 5.13314 5.60178 6.50039 numMergedOcc 0
3 mol 115 unq 1 iso 0 dist 9.67606 6.09472 4.45342 5.74878 9.28214 4.99221 8.81198 6.8882 5.60178 6.50039 numMergedOcc 0
4 mol 115 unq 2 iso 0 dist 9.41083 6.20658 4.45342 7.09627 9.28214 4.99221 11.3523 6.8882 5.60178 6.50039 numMergedOcc 0
5 mol 127 unq 0 iso 0 dist 5.83719 6.65963 4.98711 10.345 11.2815 8.14887 18.5156 19.0864 14.9761 8.59981 numMergedOcc 0
6 mol 127 unq 1 iso 0 dist 5.83719 6.65963 4.98711 10.345 11.2815 8.14887 11.9686 8.97757 7.41404 7.34519 numMergedOcc 0
7 mol 127 unq 2 iso 0 dist 5.83719 8.62711 11.2447 10.345 11.2815 9.30299 18.5156 19.0864 14.085 8.59981 numMergedOcc 0
8 mol 127 unq 3 iso 0 dist 5.83719 8.62711 11.2447 10.345 11.2815 9.30299 11.9686 8.97757 13.1312 7.34519 numMergedOcc 0
9 mol 175 unq 0 iso 0 dist 7.03107 6.6776 4.51101 13.7028 13.3338 9.0018 12.5642 14.92 11.0415 9.31887 numMergedOcc 0
10 mol 175 unq 1 iso 0 dist 7.03107 6.6776 4.51101 10.4662 8.84385 5.6234 10.9045 6.43245 5.28109 9.0664 numMergedOcc 0
11 mol 181 unq 0 iso 0 dist 8.92801 9.63295 9.40823 12.5935 12.8027 7.63312 18.3583 15.8368 9.60512 7.98142 numMergedOcc 0
12 mol 181 unq 1 iso 0 dist 8.92801 9.63295 9.40823 12.5935 12.8027 7.63312 19.9229 18.504 13.3389 7.37327 numMergedOcc 0
13 mol 181 unq 2 iso 0 dist 9.40718 9.63295 5.32364 12.5935 11.9989 7.63312 18.3583 14.0045 9.60512 7.98142 numMergedOcc 0
14 mol 181 unq 3 iso 0 dist 9.40718 9.63295 5.32364 12.5935 11.9989 7.63312 19.9229 17.8726 13.3389 7.37327 numMergedOcc 0
15 mol 182 unq 0 iso 0 dist 8.27913 9.36307 8.27268 9.72559 10.8493 9.31746 12.0424 8.35848 11.1088 6.73313 numMergedOcc 0
16 mol 214 unq 0 iso 0 dist 7.82201 9.40003 17.1162 16.922 23.8076 8.85478 13.7287 20.6932 6.67959 7.46831 numMergedOcc 0
17 mol 236 unq 0 iso 0 dist 4.71683 6.73134 7.41812 5.27568 9.13551 8.35971 5.77356 4.71339 6.40312 7.17676 numMergedOcc 0
18 mol 236 unq 1 iso 0 dist 4.71683 6.73134 7.41812 5.27568 9.13551 8.35971 9.24309 11.3543 6.2568 6.68463 numMergedOcc 0
19 mol 261 unq 0 iso 0 dist 7.58385 8.50313 6.88989 13.3163 13.5435 8.45658 13.5663 10.5903 5.22253 7.47164 numMergedOcc 0
20 mol 261 unq 1 iso 0 dist 6.0437 8.50313 4.25662 13.3163 12.1908 8.45658 13.5663 9.23897 5.22253 7.47164 numMergedOcc 0
21 mol 261 unq 2 iso 0 dist 4.85199 7.6414 4.25662 13.6041 12.1908 8.45658 12.6505 9.23897 5.22253 7.47164 numMergedOcc 0
22 mol 261 unq 3 iso 0 dist 9.72159 7.6414 12.864 13.6041 20.1172 8.45658 12.6505 16.0535 5.22253 7.47164 numMergedOcc 0
23 mol 277 unq 0 iso 0 dist 8.15119 8.35794 7.94155 5.77904 4.81916 9.7748 11.7564 6.20663 6.58374 9.41725 numMergedOcc 0
