0 mol 64 unq 0 iso 0 dist 8.52643 9.75299 4.78627 7.59945 5.45684 7.66372 13.3239 7.76644 9.99743 5.8441 numMergedOcc 0
1 mol 64 unq 0 iso 1 dist 8.52643 9.75299 4.78627 13.3239 7.76644 9.99743 7.59945 5.45684 7.66372 5.8441 numMergedOcc 0
2 mol 64 unq 1 iso 0 dist 5.41357 9.30042 4.78627 5.65551 5.45684 7.66372 9.81422 7.76644 9.99743 5.8441 numMergedOcc 0
3 mol 64 unq 1 iso 1 dist 5.41357 9.30042 4.78627 9.81422 7.76644 9.99743 5.65551 5.45684 7.66372 5.8441 numMergedOcc 0
4 mol 64 unq 2 iso 0 dist 9.75299 8.52643 4.78627 7.59945 7.66372 5.45684 13.3239 9.99743 7.76644 5.8441 numMergedOcc 0
5 mol 64 unq 2 iso 1 dist 9.75299 8.52643 4.78627 13.3239 9.99743 7.76644 7.59945 7.66372 5.45684 5.8441 numMergedOcc 0
6 mol 64 unq 3 iso 0 dist 9.30042 5.41357 4.78627 5.65551 7.66372 5.45684 9.81422 9.99743 7.76644 5.8441 numMergedOcc 0
7 mol 64 unq 3 iso 1 dist 9.30042 5.41357 4.78627 9.81422 9.99743 7.76644 5.65551 7.66372 5.45684 5.8441 numMergedOcc 0
8 mol 104 unq 0 iso 0 dist 5.71279 6.18499 4.36714 5.78815 7.32917 10.2478 10.2942 8.84844 12.8634 5.26833 numMergedOcc 0
9 mol 104 unq 0 iso 1 dist 5.71279 6.18499 4.36714 10.2942 8.84844 12.8634 5.78815 7.32917 10.2478 5.26833 numMergedOcc 0
10 mol 220 unq 0 iso 0 dist 8.6368 5.25149 11.0459 7.36665 9.984 12.5698 8.17619 8.08702 9.57625 10.3111 numMergedOcc 0
11 mol 220 unq 0 iso 1 dist 8.6368 5.25149 11.0459 8.17619 8.08702 9.57625 7.36665 9.984 12.5698 10.3111 numMergedOcc 0
12 mol 223 unq 0 iso 0 dist 8.87456 6.97426 4.71901 4.68566 7.76053 7.96628 11.1044 9.65728 12.8908 7.55127 numMergedOcc 0
13 mol 223 unq 0 iso 1 dist 8.87456 6.97426 4.71901 11.1044 9.65728 12.8908 4.68566 7.76053 7.96628 7.55127 numMergedOcc 0
14 mol 239 unq 0 iso 0 dist 9.01071 8.86185 15.9311 13.3781 7.449 20.3692 14.2324 8.98789 22.4527 5.02232 numMergedOcc 0
15 mol 239 unq 0 iso 1 dist 9.01071 8.86185 15.9311 14.2324 8.98789 22.4527 13.3781 7.449 20.3692 5.02232 numMergedOcc 0
16 mol 261 unq 0 iso 0 dist 6.0437 7.58385 5.29945 6.8395 9.38192 13.3884 6.29331 6.99444 8.25759 10.4134 numMergedOcc 0
17 mol 261 unq 0 iso 1 dist 6.0437 7.58385 5.29945 6.29331 6.99444 8.25759 6.8395 9.38192 13.3884 10.4134 numMergedOcc 0
18 mol 261 unq 1 iso 0 dist 4.85199 9.72159 10.4196 5.03102 9.38192 12.9617 6.40309 6.99444 11.0021 10.4134 numMergedOcc 0
19 mol 261 unq 1 iso 1 dist 4.85199 9.72159 10.4196 6.40309 6.99444 11.0021 5.03102 9.38192 12.9617 10.4134 numMergedOcc 0
20 mol 261 unq 2 iso 0 dist 9.13604 6.89731 10.4196 9.37836 9.38192 12.9617 5.91745 6.99444 11.0021 10.4134 numMergedOcc 0
21 mol 261 unq 2 iso 1 dist 9.13604 6.89731 10.4196 5.91745 6.99444 11.0021 9.37836 9.38192 12.9617 10.4134 numMergedOcc 0
22 mol 261 unq 3 iso 0 dist 9.13604 9.85607 10.8346 9.37836 9.38192 16.7353 5.91745 6.99444 11.436 10.4134 numMergedOcc 0
23 mol 261 unq 3 iso 1 dist 9.13604 9.85607 10.8346 5.91745 6.99444 11.436 9.37836 9.38192 16.7353 10.4134 numMergedOcc 0
24 mol 273 unq 0 iso 0 dist 5.78262 7.6489 8.60201 7.01631 7.84151 13.8768 7.05181 7.346 10.1173 6.91672 numMergedOcc 0
25 mol 273 unq 0 iso 1 dist 5.78262 7.6489 8.60201 7.05181 7.346 10.1173 7.01631 7.84151 13.8768 6.91672 numMergedOcc 0
26 mol 281 unq 0 iso 0 dist 4.75349 8.94206 8.81755 5.50235 6.47753 12.0983 9.84433 9.69744 15.5202 4.37277 numMergedOcc 0
27 mol 281 unq 0 iso 1 dist 4.75349 8.94206 8.81755 9.84433 9.69744 15.5202 5.50235 6.47753 12.0983 4.37277 numMergedOcc 0
28 mol 287 unq 0 iso 0 dist 5.15923 8.40726 7.06161 11.7624 9.30394 14.9702 5.58788 5.84467 11.5539 6.60063 numMergedOcc 0
29 mol 287 unq 0 iso 1 dist 5.15923 8.40726 7.06161 5.58788 5.84467 11.5539 11.7624 9.30394 14.9702 6.60063 numMergedOcc 0
30 mol 287 unq 1 iso 0 dist 7.14859 6.96774 7.11169 14.0575 8.5458 13.9195 10.6005 8.56533 11.3395 6.60063 numMergedOcc 0
31 mol 287 unq 1 iso 1 dist 7.14859 6.96774 7.11169 10.6005 8.56533 11.3395 14.0575 8.5458 13.9195 6.60063 numMergedOcc 0
32 mol 288 unq 0 iso 0 dist 5.15923 8.40726 7.06161 11.7624 9.30394 14.9702 5.58788 5.84467 11.5539 6.60063 numMergedOcc 0
33 mol 288 unq 0 iso 1 dist 5.15923 8.40726 7.06161 5.58788 5.84467 11.5539 11.7624 9.30394 14.9702 6.60063 numMergedOcc 0
34 mol 288 unq 1 iso 0 dist 7.14859 6.96774 7.11169 14.0575 8.5458 13.9195 10.6005 8.56533 11.3395 6.60063 numMergedOcc 0
35 mol 288 unq 1 iso 1 dist 7.14859 6.96774 7.11169 10.6005 8.56533 11.3395 14.0575 8.5458 13.9195 6.60063 numMergedOcc 0
36 mol 289 unq 0 iso 0 dist 5.15923 8.40726 7.06161 11.7624 9.30394 14.9702 5.58788 5.84467 11.5539 6.60063 numMergedOcc 0
37 mol 289 unq 0 iso 1 dist 5.15923 8.40726 7.06161 5.58788 5.84467 11.5539 11.7624 9.30394 14.9702 6.60063 numMergedOcc 0
38 mol 289 unq 1 iso 0 dist 7.14859 6.96774 7.11169 14.0575 8.5458 13.9195 10.6005 8.56533 11.3395 6.60063 numMergedOcc 0
39 mol 289 unq 1 iso 1 dist 7.14859 6.96774 7.11169 10.6005 8.56533 11.3395 14.0575 8.5458 13.9195 6.60063 numMergedOcc 0
