0 mol 8 unq 0 iso 0 dist 9.36227 7.46102 8.79328 8.25051 14.7448 8.96553 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 9.36227 9.91301 8.5845 8.25051 14.7448 9.62879 numMergedOcc 0
2 mol 14 unq 0 iso 0 dist 8.25832 6.87018 4.05028 5.45641 6.45858 6.38364 numMergedOcc 0
3 mol 14 unq 1 iso 0 dist 8.25832 6.45858 5.45641 4.05028 6.87018 6.38364 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 8.6112 6.88695 4.09495 5.3315 10.8071 8.34347 numMergedOcc 0
5 mol 51 unq 0 iso 0 dist 9.66898 7.12423 12.4834 13.6102 18.8646 9.0709 numMergedOcc 0
6 mol 54 unq 0 iso 0 dist 9.5915 5.97635 9.88291 10.7219 11.0361 9.5589 numMergedOcc 0
7 mol 54 unq 1 iso 0 dist 9.5915 5.97635 9.88291 6.76462 11.4465 6.83299 numMergedOcc 0
8 mol 54 unq 2 iso 0 dist 9.5915 5.97635 9.88291 13.2619 16.0531 8.10861 numMergedOcc 0
9 mol 59 unq 0 iso 0 dist 4.67917 6.65344 5.34079 5.29688 8.05508 6.85766 numMergedOcc 0
10 mol 59 unq 1 iso 0 dist 4.67917 6.65344 5.34079 13.1729 12.5028 7.71095 numMergedOcc 0
11 mol 59 unq 2 iso 0 dist 4.67917 8.05508 5.29688 5.34079 6.65344 6.85766 numMergedOcc 0
12 mol 59 unq 3 iso 0 dist 4.67917 9.00229 11.0325 10.1484 14.1054 8.95999 numMergedOcc 0
13 mol 59 unq 4 iso 0 dist 5.81747 8.05508 12.0007 5.34079 10.9882 6.85766 numMergedOcc 0
14 mol 59 unq 5 iso 0 dist 5.81747 9.00229 10.9658 10.1484 14.2274 8.95999 numMergedOcc 0
15 mol 59 unq 6 iso 0 dist 6.88924 6.65344 6.11334 5.29688 10.7085 6.85766 numMergedOcc 0
16 mol 59 unq 7 iso 0 dist 6.88924 6.65344 6.11334 13.1729 13.6406 7.71095 numMergedOcc 0
17 mol 71 unq 0 iso 0 dist 9.44364 9.50139 4.32794 6.53623 10.0915 7.38797 numMergedOcc 0
18 mol 95 unq 0 iso 0 dist 8.36326 9.65047 16.7208 5.33325 12.146 7.27724 numMergedOcc 0
19 mol 95 unq 1 iso 0 dist 8.36326 9.65047 16.7208 5.69671 12.7234 8.03644 numMergedOcc 0
20 mol 112 unq 0 iso 0 dist 7.84249 7.15985 11.6091 6.68714 13.5949 9.60462 numMergedOcc 0
21 mol 112 unq 1 iso 0 dist 7.84249 7.15985 11.6091 6.71889 14.2434 7.45389 numMergedOcc 0
22 mol 113 unq 0 iso 0 dist 9.64281 8.89481 14.0364 4.36935 10.783 5.86073 numMergedOcc 0
23 mol 120 unq 0 iso 0 dist 8.43293 7.04864 5.89379 4.5543 12.2464 8.75408 numMergedOcc 0
24 mol 120 unq 1 iso 0 dist 8.43293 7.04864 5.89379 6.81949 11.2107 6.44653 numMergedOcc 0
25 mol 127 unq 0 iso 0 dist 9.16999 9.42513 4.70935 8.60326 9.8685 9.30299 numMergedOcc 0
26 mol 129 unq 0 iso 0 dist 9.0455 9.28278 5.56946 14.5776 13.5311 8.54584 numMergedOcc 0
27 mol 132 unq 0 iso 0 dist 8.883 8.7366 12.3669 4.90475 11.8382 7.7059 numMergedOcc 0
28 mol 133 unq 0 iso 0 dist 7.12336 5.86531 5.37072 6.26797 9.50322 7.11802 numMergedOcc 0
29 mol 133 unq 1 iso 0 dist 7.12336 5.86531 5.37072 9.73435 5.82404 8.00618 numMergedOcc 0
30 mol 133 unq 2 iso 0 dist 7.12336 9.50322 6.26797 5.37072 5.86531 7.11802 numMergedOcc 0
31 mol 133 unq 3 iso 0 dist 7.12336 5.82404 9.73435 10.2385 15.5083 6.29155 numMergedOcc 0
32 mol 133 unq 4 iso 0 dist 7.12336 5.82404 9.73435 4.64588 11.5178 6.80239 numMergedOcc 0
33 mol 133 unq 5 iso 0 dist 7.12336 5.82404 9.73435 5.37072 5.86531 8.00618 numMergedOcc 0
34 mol 196 unq 0 iso 0 dist 7.556 9.99314 4.59462 6.70722 6.87731 9.62191 numMergedOcc 0
35 mol 196 unq 1 iso 0 dist 7.556 6.87731 6.70722 4.59462 9.99314 9.62191 numMergedOcc 0
36 mol 210 unq 0 iso 0 dist 9.718 8.62103 14.2438 3.84723 11.8313 6.18308 numMergedOcc 0
37 mol 210 unq 1 iso 0 dist 8.61629 8.62103 11.4281 3.84723 10.4825 6.18308 numMergedOcc 0
38 mol 214 unq 0 iso 0 dist 8.80167 4.84709 5.67031 4.55245 10.961 8.82096 numMergedOcc 0
39 mol 234 unq 0 iso 0 dist 7.50665 7.50424 5.44171 6.88707 10.0587 8.41436 numMergedOcc 0
40 mol 234 unq 1 iso 0 dist 7.50665 7.50424 5.44171 8.96936 13.3065 8.92474 numMergedOcc 0
41 mol 235 unq 0 iso 0 dist 8.92054 8.48065 6.84447 5.23741 9.11256 5.4638 numMergedOcc 0
42 mol 235 unq 1 iso 0 dist 8.92054 9.11256 5.23741 6.84447 8.48065 5.4638 numMergedOcc 0
43 mol 238 unq 0 iso 0 dist 7.82564 9.94315 5.65577 12.521 10.2894 5.72887 numMergedOcc 0
44 mol 238 unq 1 iso 0 dist 7.82564 9.66555 5.60375 12.2428 10.9193 6.22714 numMergedOcc 0
45 mol 238 unq 2 iso 0 dist 9.51177 8.59074 5.65577 9.18011 10.2894 5.72887 numMergedOcc 0
46 mol 238 unq 3 iso 0 dist 9.51177 9.66555 10.42 12.2428 14.9617 6.22714 numMergedOcc 0
47 mol 238 unq 4 iso 0 dist 9.91136 9.94315 10.5703 12.521 14.3542 5.72887 numMergedOcc 0
48 mol 238 unq 5 iso 0 dist 9.91136 8.67205 5.60375 8.66185 10.9193 6.22714 numMergedOcc 0
49 mol 249 unq 0 iso 0 dist 6.40339 6.37672 9.9244 9.07501 15.0261 7.57994 numMergedOcc 0
50 mol 249 unq 1 iso 0 dist 6.40339 6.37672 9.9244 4.24014 10.454 6.18582 numMergedOcc 0
51 mol 256 unq 0 iso 0 dist 7.14598 7.67598 6.4717 8.99993 12.8383 8.29103 numMergedOcc 0
52 mol 258 unq 0 iso 0 dist 8.37512 5.73834 4.16729 6.48867 9.98141 6.60405 numMergedOcc 0
53 mol 258 unq 1 iso 0 dist 8.37512 5.73834 4.16729 7.52881 10.3938 6.42289 numMergedOcc 0
54 mol 259 unq 0 iso 0 dist 9.05363 8.06771 10.4985 6.64729 5.90645 8.13497 numMergedOcc 0
55 mol 259 unq 1 iso 0 dist 9.05363 8.06771 10.4985 9.79538 9.73107 7.88519 numMergedOcc 0
56 mol 259 unq 2 iso 0 dist 9.05363 5.90645 6.64729 4.62072 12.3391 8.53687 numMergedOcc 0
57 mol 259 unq 3 iso 0 dist 9.05363 5.90645 6.64729 10.4985 8.06771 8.13497 numMergedOcc 0
58 mol 259 unq 4 iso 0 dist 5.30455 6.42725 5.59901 8.70769 9.12507 5.30224 numMergedOcc 0
59 mol 259 unq 5 iso 0 dist 5.30455 9.12507 8.70769 5.59901 6.42725 5.30224 numMergedOcc 0
60 mol 259 unq 6 iso 0 dist 7.34794 9.54857 5.41945 15.3806 10.5892 7.46176 numMergedOcc 0
61 mol 259 unq 7 iso 0 dist 7.34794 9.12507 10.0253 5.59901 9.56653 5.30224 numMergedOcc 0
62 mol 259 unq 8 iso 0 dist 6.8184 6.42725 4.30432 8.70769 9.57887 5.30224 numMergedOcc 0
63 mol 273 unq 0 iso 0 dist 8.65593 8.57501 4.50319 6.9795 9.42072 6.92774 numMergedOcc 0
64 mol 292 unq 0 iso 0 dist 8.35169 9.30668 5.58251 8.04474 7.53641 8.2734 numMergedOcc 0
65 mol 292 unq 1 iso 0 dist 8.35169 7.53641 8.04474 5.58251 9.30668 8.2734 numMergedOcc 0
66 mol 292 unq 2 iso 0 dist 7.7557 7.53641 9.00118 5.58251 12.6526 8.2734 numMergedOcc 0
