0 mol 7 unq 0 iso 0 dist 8.41173 12.9957 9.58865 13.2816 5.42241 8.40995 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.14952 15.4291 8.77648 9.02869 8.4061 9.28571 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 8.0166 5.85668 6.0323 12.4974 5.96526 8.05125 numMergedOcc 0
3 mol 55 unq 0 iso 0 dist 7.58788 6.63489 5.62629 12.4931 5.55161 7.87739 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 5.39171 12.6081 7.53504 13.1329 7.92924 5.68894 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 5.39171 12.6081 7.53504 12.702 8.30433 7.32265 numMergedOcc 0
6 mol 73 unq 2 iso 0 dist 9.27355 16.1129 7.02351 13.1329 5.4653 6.7939 numMergedOcc 0
7 mol 73 unq 3 iso 0 dist 9.27355 16.1129 7.02351 12.702 4.63063 6.85356 numMergedOcc 0
8 mol 73 unq 4 iso 0 dist 9.27355 12.6081 8.66342 13.1329 5.4653 5.68894 numMergedOcc 0
9 mol 73 unq 5 iso 0 dist 9.27355 12.6081 8.66342 12.702 4.63063 7.32265 numMergedOcc 0
10 mol 73 unq 6 iso 0 dist 8.60363 12.6081 7.21285 13.1329 7.09483 5.68894 numMergedOcc 0
11 mol 73 unq 7 iso 0 dist 8.60363 12.6081 7.21285 12.702 4.68175 7.32265 numMergedOcc 0
12 mol 73 unq 8 iso 0 dist 9.27331 14.1204 7.21285 11.8571 7.09483 5.68894 numMergedOcc 0
13 mol 73 unq 9 iso 0 dist 9.27331 14.1204 7.21285 7.45777 4.68175 7.32265 numMergedOcc 0
14 mol 90 unq 0 iso 0 dist 6.6146 6.3566 8.6308 9.06641 5.12529 7.94379 numMergedOcc 0
15 mol 99 unq 0 iso 0 dist 6.81741 8.61334 8.23566 16.0978 12.5118 9.39801 numMergedOcc 0
16 mol 99 unq 1 iso 0 dist 6.81741 8.61334 8.23566 8.68674 4.74328 4.82346 numMergedOcc 0
17 mol 99 unq 2 iso 0 dist 6.81741 8.61334 8.23566 12.3208 6.55763 8.89165 numMergedOcc 0
18 mol 114 unq 0 iso 0 dist 5.31281 7.22809 8.592 9.45174 5.53478 8.75093 numMergedOcc 0
19 mol 134 unq 0 iso 0 dist 7.85526 5.57607 7.94564 9.88178 6.01484 6.00896 numMergedOcc 0
20 mol 134 unq 1 iso 0 dist 5.33543 5.57607 9.21999 9.88178 10.6104 6.00896 numMergedOcc 0
21 mol 140 unq 0 iso 0 dist 8.05043 5.00766 9.74209 7.60956 4.8476 6.55217 numMergedOcc 0
22 mol 140 unq 1 iso 0 dist 8.05043 5.00766 9.74209 9.9171 8.53976 7.21686 numMergedOcc 0
23 mol 152 unq 0 iso 0 dist 7.53834 10.7416 7.21636 18.979 12.5216 9.54774 numMergedOcc 0
24 mol 183 unq 0 iso 0 dist 7.69421 4.92164 9.82833 8.97652 9.01399 9.84649 numMergedOcc 0
25 mol 184 unq 0 iso 0 dist 9.45847 12.9481 5.13722 18 8.78766 8.49577 numMergedOcc 0
26 mol 192 unq 0 iso 0 dist 7.30965 6.16078 7.72242 6.2016 5.21255 5.83093 numMergedOcc 0
27 mol 203 unq 0 iso 0 dist 7.9591 4.51654 8.8589 11.2429 9.33982 7.72215 numMergedOcc 0
28 mol 203 unq 1 iso 0 dist 7.9591 4.51654 8.8589 6.84619 4.9404 5.46529 numMergedOcc 0
29 mol 205 unq 0 iso 0 dist 9.89311 13.8587 8.21112 14.9475 8.82544 6.02053 numMergedOcc 0
30 mol 205 unq 1 iso 0 dist 9.89311 9.6353 7.06533 14.9475 8.82544 7.41663 numMergedOcc 0
31 mol 205 unq 2 iso 0 dist 9.89311 11.7852 5.94835 13.3095 5.16703 7.09439 numMergedOcc 0
32 mol 205 unq 3 iso 0 dist 7.71155 11.7852 6.76947 13.3095 6.81258 7.09439 numMergedOcc 0
33 mol 211 unq 0 iso 0 dist 9.8921 16.4954 9.45365 17.2726 13.6185 8.66183 numMergedOcc 0
34 mol 218 unq 0 iso 0 dist 4.61671 6.82687 5.98076 14.4466 10.7072 9.11823 numMergedOcc 0
35 mol 218 unq 1 iso 0 dist 8.44004 10.8844 5.98076 16.9989 10.7072 9.11823 numMergedOcc 0
36 mol 220 unq 0 iso 0 dist 7.57712 6.40358 4.3362 10.8839 5.7733 6.89587 numMergedOcc 0
37 mol 220 unq 1 iso 0 dist 7.20255 6.40358 5.51565 10.8839 4.4922 6.89587 numMergedOcc 0
38 mol 220 unq 2 iso 0 dist 7.20255 7.36665 9.74776 8.6368 8.70221 9.984 numMergedOcc 0
39 mol 223 unq 0 iso 0 dist 9.29204 4.68566 9.86372 6.97426 4.73988 7.96628 numMergedOcc 0
40 mol 223 unq 1 iso 0 dist 9.29204 4.68566 9.86372 8.87456 8.36102 7.76053 numMergedOcc 0
41 mol 223 unq 2 iso 0 dist 9.14789 4.68566 7.70946 6.97426 4.78255 7.96628 numMergedOcc 0
42 mol 223 unq 3 iso 0 dist 9.14789 4.68566 7.70946 8.87456 5.43913 7.76053 numMergedOcc 0
43 mol 223 unq 4 iso 0 dist 8.78739 5.07822 7.70946 11.322 4.78255 7.96628 numMergedOcc 0
44 mol 223 unq 5 iso 0 dist 8.78739 5.07822 7.70946 10.7897 5.43913 7.76053 numMergedOcc 0
45 mol 224 unq 0 iso 0 dist 7.47122 6.1168 7.46044 7.03925 4.49347 5.07376 numMergedOcc 0
46 mol 224 unq 1 iso 0 dist 9.37276 5.07348 8.62228 8.81063 4.19878 7.53412 numMergedOcc 0
47 mol 224 unq 2 iso 0 dist 6.6537 9.80029 7.46044 9.7994 4.49347 5.07376 numMergedOcc 0
48 mol 226 unq 0 iso 0 dist 7.20862 15.6116 9.05082 16.5565 12.3913 8.24741 numMergedOcc 0
49 mol 235 unq 0 iso 0 dist 7.99218 5.63043 7.52696 10.4732 4.81997 7.30003 numMergedOcc 0
50 mol 239 unq 0 iso 0 dist 6.00654 10.1043 8.78008 8.86185 8.20191 7.80073 numMergedOcc 0
51 mol 239 unq 1 iso 0 dist 5.38325 7.88007 8.33254 12.9581 11.8831 8.92121 numMergedOcc 0
52 mol 239 unq 2 iso 0 dist 9.59937 8.46058 8.01565 7.58554 5.94643 7.10828 numMergedOcc 0
53 mol 249 unq 0 iso 0 dist 7.58833 6.13333 6.04688 3.67935 4.88298 5.70674 numMergedOcc 0
54 mol 258 unq 0 iso 0 dist 7.70189 5.79358 6.59521 8.10903 5.27718 8.73425 numMergedOcc 0
55 mol 258 unq 1 iso 0 dist 7.70189 5.79358 6.59521 7.25618 9.46467 9.65711 numMergedOcc 0
56 mol 260 unq 0 iso 0 dist 9.18439 7.91317 9.05149 15.2183 11.3568 8.13605 numMergedOcc 0
57 mol 261 unq 0 iso 0 dist 6.41477 9.836 9.64886 17.025 14.3335 8.96253 numMergedOcc 0
58 mol 277 unq 0 iso 0 dist 6.23539 13.1 9.42812 11.8319 10.3278 6.40125 numMergedOcc 0
59 mol 280 unq 0 iso 0 dist 6.83927 6.12141 9.047 11.6621 14.0927 6.38295 numMergedOcc 0
60 mol 280 unq 1 iso 0 dist 7.3304 10.5216 9.9227 14.1864 11.4101 6.38295 numMergedOcc 0
