0 mol 58 unq 0 iso 0 dist 7.04193 7.15486 7.5247 7.43516 9.97769 9.08221 numMergedOcc 0
1 mol 58 unq 1 iso 0 dist 7.04193 8.52969 11.6716 7.43516 9.97769 15.6595 numMergedOcc 0
2 mol 58 unq 2 iso 0 dist 7.15486 7.04193 7.5247 7.43516 9.08221 9.97769 numMergedOcc 0
3 mol 58 unq 3 iso 0 dist 7.15486 8.52969 10.6169 7.43516 9.08221 15.6595 numMergedOcc 0
4 mol 78 unq 0 iso 0 dist 6.89185 7.97217 4.62896 6.12049 8.65848 10.8443 numMergedOcc 0
5 mol 78 unq 1 iso 0 dist 6.89185 7.97217 4.62896 4.94803 7.25801 10.36 numMergedOcc 0
6 mol 78 unq 2 iso 0 dist 7.80757 5.5849 7.19663 8.07529 6.85523 8.65848 numMergedOcc 0
7 mol 78 unq 3 iso 0 dist 7.80757 5.5849 7.19663 12.9164 5.77326 12.35 numMergedOcc 0
8 mol 78 unq 4 iso 0 dist 5.5849 7.80757 7.19663 8.07529 8.65848 6.85523 numMergedOcc 0
9 mol 78 unq 5 iso 0 dist 5.5849 7.80757 7.19663 6.52163 7.25801 11.5776 numMergedOcc 0
10 mol 89 unq 0 iso 0 dist 9.51842 8.25651 10.4087 8.74594 6.53308 12.3442 numMergedOcc 0
11 mol 89 unq 1 iso 0 dist 9.51842 8.25651 10.4087 5.87704 7.47974 5.51831 numMergedOcc 0
12 mol 89 unq 2 iso 0 dist 8.25651 9.51842 10.4087 5.87704 5.51831 7.47974 numMergedOcc 0
13 mol 100 unq 0 iso 0 dist 9.26343 9.91446 13.8729 16.0043 7.82475 21.6508 numMergedOcc 0
14 mol 100 unq 1 iso 0 dist 9.26343 9.91446 13.8729 14.1132 5.35782 18.9668 numMergedOcc 0
15 mol 112 unq 0 iso 0 dist 7.63658 7.65229 10.838 7.35282 9.05166 10.2348 numMergedOcc 0
16 mol 112 unq 1 iso 0 dist 7.63658 7.65229 10.838 8.43423 5.56994 9.95699 numMergedOcc 0
17 mol 131 unq 0 iso 0 dist 6.38977 9.64856 7.50824 4.67452 9.27976 13.2132 numMergedOcc 0
18 mol 131 unq 1 iso 0 dist 6.38977 9.69757 5.55373 4.67452 9.27976 10.0551 numMergedOcc 0
19 mol 132 unq 0 iso 0 dist 9.0339 8.48641 4.35917 3.48657 6.89918 7.89457 numMergedOcc 0
20 mol 132 unq 1 iso 0 dist 9.0339 6.23573 13.624 3.48657 6.89918 9.48483 numMergedOcc 0
21 mol 132 unq 2 iso 0 dist 8.48641 9.0339 4.35917 3.48657 7.89457 6.89918 numMergedOcc 0
22 mol 132 unq 3 iso 0 dist 8.48641 6.23573 12.1165 3.48657 7.89457 9.48483 numMergedOcc 0
23 mol 141 unq 0 iso 0 dist 4.93035 9.75558 6.21253 6.48796 8.07097 11.5913 numMergedOcc 0
24 mol 197 unq 0 iso 0 dist 6.22696 8.12158 6.75702 13.0947 9.10817 15.5058 numMergedOcc 0
25 mol 197 unq 1 iso 0 dist 6.22696 8.12158 6.75702 4.65029 9.73548 10.1477 numMergedOcc 0
26 mol 204 unq 0 iso 0 dist 7.92766 6.32652 12.5143 6.6094 7.9133 11.6352 numMergedOcc 0
27 mol 204 unq 1 iso 0 dist 6.32652 7.92766 12.5143 6.5797 5.94972 12.7968 numMergedOcc 0
28 mol 213 unq 0 iso 0 dist 9.06306 9.40939 11.2306 4.44853 7.94911 11.7255 numMergedOcc 0
29 mol 213 unq 1 iso 0 dist 6.82185 6.82881 5.45334 10.1106 8.21793 12.9743 numMergedOcc 0
30 mol 213 unq 2 iso 0 dist 6.82881 6.82185 5.45334 5.6182 8.22569 10.9843 numMergedOcc 0
31 mol 238 unq 0 iso 0 dist 7.13194 7.2527 10.0191 13.1414 9.72188 14.4013 numMergedOcc 0
32 mol 238 unq 1 iso 0 dist 7.62771 9.29203 5.40359 14.7797 8.82351 11.1059 numMergedOcc 0
33 mol 238 unq 2 iso 0 dist 7.62771 7.80166 10.1648 14.7797 8.82351 12.7605 numMergedOcc 0
34 mol 238 unq 3 iso 0 dist 7.80166 9.29203 10.0191 6.10342 9.72188 14.4013 numMergedOcc 0
35 mol 238 unq 4 iso 0 dist 7.80166 7.62771 10.1648 6.10342 9.72188 11.1002 numMergedOcc 0
36 mol 238 unq 5 iso 0 dist 9.2521 9.82174 14.0328 12.95 9.08509 20.0719 numMergedOcc 0
37 mol 238 unq 6 iso 0 dist 9.2521 8.51359 6.85126 12.95 9.08509 11.9549 numMergedOcc 0
38 mol 238 unq 7 iso 0 dist 8.51359 9.82174 15.8898 6.44649 9.06592 15.1958 numMergedOcc 0
39 mol 238 unq 8 iso 0 dist 8.51359 9.2521 6.85126 6.44649 9.06592 13.3867 numMergedOcc 0
40 mol 259 unq 0 iso 0 dist 6.49599 9.34738 4.86771 9.41512 9.46361 12.8903 numMergedOcc 0
41 mol 259 unq 1 iso 0 dist 6.49599 9.47382 6.96053 9.41512 9.46361 6.95511 numMergedOcc 0
42 mol 259 unq 2 iso 0 dist 9.47382 6.49599 6.96053 11.8307 5.85442 10.3406 numMergedOcc 0
43 mol 259 unq 3 iso 0 dist 9.47382 6.49599 6.96053 9.41512 6.95511 9.46361 numMergedOcc 0
44 mol 259 unq 4 iso 0 dist 9.47382 9.34738 7.64658 11.8307 5.85442 12.8546 numMergedOcc 0
45 mol 259 unq 5 iso 0 dist 9.47382 9.34738 7.64658 9.41512 6.95511 12.8903 numMergedOcc 0
