0 mol 16 unq 0 iso 0 dist 7.979 6.36377 5.72175 4.78943 8.17898 5.05803 5.48395 10.6491 6.31718 6.92781 numMergedOcc 0
1 mol 16 unq 0 iso 1 dist 7.979 6.36377 5.72175 5.48395 10.6491 6.31718 4.78943 8.17898 5.05803 6.92781 numMergedOcc 0
2 mol 38 unq 0 iso 0 dist 7.96306 5.73067 7.46414 5.79134 8.80956 7.50293 5.48241 12.4417 9.91611 5.79773 numMergedOcc 0
3 mol 38 unq 0 iso 1 dist 7.96306 5.73067 7.46414 5.48241 12.4417 9.91611 5.79134 8.80956 7.50293 5.79773 numMergedOcc 0
4 mol 59 unq 0 iso 0 dist 5.41134 6.65344 6.34748 5.29688 9.05547 6.85766 13.1729 13.5562 7.71095 10.0246 numMergedOcc 0
5 mol 59 unq 0 iso 1 dist 5.41134 6.65344 6.34748 13.1729 13.5562 7.71095 5.29688 9.05547 6.85766 10.0246 numMergedOcc 0
6 mol 59 unq 1 iso 0 dist 9.23605 6.65344 13.0793 5.29688 12.9592 6.85766 13.1729 19.6226 7.71095 10.0246 numMergedOcc 0
7 mol 59 unq 1 iso 1 dist 9.23605 6.65344 13.0793 13.1729 19.6226 7.71095 5.29688 12.9592 6.85766 10.0246 numMergedOcc 0
8 mol 75 unq 0 iso 0 dist 5.01633 6.95595 5.56574 12.7957 13.0751 7.79912 10.309 12.1692 8.56639 5.64643 numMergedOcc 0
9 mol 75 unq 0 iso 1 dist 5.01633 6.95595 5.56574 10.309 12.1692 8.56639 12.7957 13.0751 7.79912 5.64643 numMergedOcc 0
10 mol 75 unq 1 iso 0 dist 5.01633 6.95595 5.56574 12.7957 13.0751 7.79912 5.80162 10.0315 8.59017 10.4899 numMergedOcc 0
11 mol 75 unq 1 iso 1 dist 5.01633 6.95595 5.56574 5.80162 10.0315 8.59017 12.7957 13.0751 7.79912 10.4899 numMergedOcc 0
12 mol 75 unq 1 iso 0 dist 5.01633 6.95595 5.56574 10.309 12.1692 8.56639 5.80162 10.0315 8.59017 7.00674 numMergedOcc 0
13 mol 75 unq 1 iso 1 dist 5.01633 6.95595 5.56574 5.80162 10.0315 8.59017 10.309 12.1692 8.56639 7.00674 numMergedOcc 0
14 mol 85 unq 0 iso 0 dist 7.61312 6.58793 3.85308 10.1919 11.7729 7.95579 9.21014 9.8682 6.19965 4.26409 numMergedOcc 0
15 mol 85 unq 0 iso 1 dist 7.61312 6.58793 3.85308 9.21014 9.8682 6.19965 10.1919 11.7729 7.95579 4.26409 numMergedOcc 0
16 mol 85 unq 1 iso 0 dist 7.61312 6.58793 3.85308 10.1919 11.7729 7.95579 7.83419 9.22376 7.66905 10.7229 numMergedOcc 0
17 mol 85 unq 1 iso 1 dist 7.61312 6.58793 3.85308 7.83419 9.22376 7.66905 10.1919 11.7729 7.95579 10.7229 numMergedOcc 0
18 mol 85 unq 1 iso 0 dist 7.61312 6.58793 3.85308 9.21014 9.8682 6.19965 7.83419 9.22376 7.66905 6.9948 numMergedOcc 0
19 mol 85 unq 1 iso 1 dist 7.61312 6.58793 3.85308 7.83419 9.22376 7.66905 9.21014 9.8682 6.19965 6.9948 numMergedOcc 0
20 mol 95 unq 0 iso 0 dist 9.02302 9.65047 13.209 5.33325 10.2352 7.27724 5.69671 12.7489 8.03644 8.41707 numMergedOcc 0
21 mol 95 unq 0 iso 1 dist 9.02302 9.65047 13.209 5.69671 12.7489 8.03644 5.33325 10.2352 7.27724 8.41707 numMergedOcc 0
22 mol 133 unq 0 iso 0 dist 4.69402 5.86531 6.25005 6.26797 10.4155 7.11802 9.73435 11.4588 8.00618 8.18495 numMergedOcc 0
23 mol 133 unq 0 iso 1 dist 4.69402 5.86531 6.25005 9.73435 11.4588 8.00618 6.26797 10.4155 7.11802 8.18495 numMergedOcc 0
24 mol 205 unq 0 iso 0 dist 7.97183 5.96555 4.25942 4.6995 9.82156 6.03031 10.7091 10.4618 7.26832 7.38516 numMergedOcc 0
25 mol 205 unq 0 iso 1 dist 7.97183 5.96555 4.25942 10.7091 10.4618 7.26832 4.6995 9.82156 6.03031 7.38516 numMergedOcc 0
26 mol 205 unq 1 iso 0 dist 7.97183 5.96555 4.25942 4.6995 9.82156 6.03031 5.87892 9.3629 7.80463 8.18714 numMergedOcc 0
27 mol 205 unq 1 iso 1 dist 7.97183 5.96555 4.25942 5.87892 9.3629 7.80463 4.6995 9.82156 6.03031 8.18714 numMergedOcc 0
28 mol 205 unq 1 iso 0 dist 7.97183 5.96555 4.25942 10.7091 10.4618 7.26832 5.87892 9.3629 7.80463 13.8543 numMergedOcc 0
29 mol 205 unq 1 iso 1 dist 7.97183 5.96555 4.25942 5.87892 9.3629 7.80463 10.7091 10.4618 7.26832 13.8543 numMergedOcc 0
30 mol 229 unq 0 iso 0 dist 5.75755 8.6537 12.696 8.65216 14.4018 8.22528 10.7439 15.825 7.03423 5.57838 numMergedOcc 0
31 mol 229 unq 0 iso 1 dist 5.75755 8.6537 12.696 10.7439 15.825 7.03423 8.65216 14.4018 8.22528 5.57838 numMergedOcc 0
32 mol 234 unq 0 iso 0 dist 9.24066 7.46434 7.87385 13.0285 15.1742 8.41436 13.9912 16.4929 8.92474 8.62358 numMergedOcc 0
33 mol 234 unq 0 iso 1 dist 9.24066 7.46434 7.87385 13.9912 16.4929 8.92474 13.0285 15.1742 8.41436 8.62358 numMergedOcc 0
34 mol 236 unq 0 iso 0 dist 8.20542 5.66569 10.2557 11.2013 9.97357 9.99038 4.15973 6.36941 6.27581 7.28249 numMergedOcc 0
35 mol 236 unq 0 iso 1 dist 8.20542 5.66569 10.2557 4.15973 6.36941 6.27581 11.2013 9.97357 9.99038 7.28249 numMergedOcc 0
36 mol 236 unq 1 iso 0 dist 5.6568 6.11137 6.49831 15.1664 16.3801 9.99038 9.01197 12.2331 6.27581 7.28249 numMergedOcc 0
37 mol 236 unq 1 iso 1 dist 5.6568 6.11137 6.49831 9.01197 12.2331 6.27581 15.1664 16.3801 9.99038 7.28249 numMergedOcc 0
38 mol 258 unq 0 iso 0 dist 9.52903 5.73834 9.78068 6.48867 14.0712 6.60405 7.52881 8.81059 6.42289 7.26417 numMergedOcc 0
39 mol 258 unq 0 iso 1 dist 9.52903 5.73834 9.78068 7.52881 8.81059 6.42289 6.48867 14.0712 6.60405 7.26417 numMergedOcc 0
