0 mol 0 unq 0 iso 0 dist 7.79297 7.88527 7.20999 11.7303 7.65806 5.56011 numMergedOcc 0
1 mol 14 unq 0 iso 0 dist 7.94714 6.01624 9.31271 11.2303 9.04767 10.3326 numMergedOcc 0
2 mol 14 unq 1 iso 0 dist 9.28341 9.08594 6.89209 5.58255 6.38364 5.49061 numMergedOcc 0
3 mol 16 unq 0 iso 0 dist 6.68517 7.67331 8.59049 5.65481 4.7319 5.70228 numMergedOcc 0
4 mol 18 unq 0 iso 0 dist 7.37356 10.5553 6.39243 7.426 9.51761 15.2831 numMergedOcc 0
5 mol 18 unq 1 iso 0 dist 7.37356 10.5553 6.39243 7.53082 7.3094 9.30561 numMergedOcc 0
6 mol 18 unq 2 iso 0 dist 7.37356 12.9137 9.1715 7.426 9.51761 17.8306 numMergedOcc 0
7 mol 18 unq 3 iso 0 dist 7.37356 12.9137 9.1715 7.53082 7.3094 14.3582 numMergedOcc 0
8 mol 61 unq 0 iso 0 dist 5.50504 12.0885 9.70415 7.62418 6.65721 5.46309 numMergedOcc 0
9 mol 61 unq 1 iso 0 dist 5.50504 12.0885 9.70415 6.53977 6.72123 11.9897 numMergedOcc 0
10 mol 70 unq 0 iso 0 dist 9.49626 6.11663 7.63663 15.643 9.65964 14.2824 numMergedOcc 0
11 mol 72 unq 0 iso 0 dist 9.43143 8.83086 6.68311 10.5786 8.8178 8.1124 numMergedOcc 0
12 mol 72 unq 1 iso 0 dist 9.43143 8.83086 6.68311 16.2349 9.96708 15.0607 numMergedOcc 0
13 mol 72 unq 2 iso 0 dist 5.48831 5.50284 6.7212 13.0773 9.96708 11.6369 numMergedOcc 0
14 mol 72 unq 3 iso 0 dist 5.48831 5.50284 6.7212 10.5933 9.78528 6.12361 numMergedOcc 0
15 mol 78 unq 0 iso 0 dist 9.29446 9.98366 5.57265 11.2307 7.9245 5.58109 numMergedOcc 0
16 mol 78 unq 1 iso 0 dist 9.29446 8.55415 7.05258 11.2307 7.9245 5.3454 numMergedOcc 0
17 mol 98 unq 0 iso 0 dist 9.83528 15.5804 8.05602 12.3158 5.08437 12.0507 numMergedOcc 0
18 mol 98 unq 1 iso 0 dist 9.83528 15.5804 8.05602 15.1765 6.48948 4.72129 numMergedOcc 0
19 mol 98 unq 2 iso 0 dist 9.83528 15.5804 8.05602 8.06684 6.10456 12.0339 numMergedOcc 0
20 mol 98 unq 3 iso 0 dist 7.54969 10.9744 8.05602 11.7493 5.08437 12.0507 numMergedOcc 0
21 mol 98 unq 4 iso 0 dist 7.54969 10.9744 8.05602 10.3366 6.48948 4.72129 numMergedOcc 0
22 mol 98 unq 5 iso 0 dist 7.54969 10.9744 8.05602 5.15322 6.10456 12.0339 numMergedOcc 0
23 mol 100 unq 0 iso 0 dist 9.61812 6.6033 8.22596 11.5079 8.87449 5.11615 numMergedOcc 0
24 mol 102 unq 0 iso 0 dist 8.84131 8.38008 9.84673 8.90571 7.36792 5.09542 numMergedOcc 0
25 mol 109 unq 0 iso 0 dist 9.26438 15.3293 8.84523 5.68669 8.69985 14.7654 numMergedOcc 0
26 mol 109 unq 1 iso 0 dist 6.43255 13.8299 8.84523 6.80429 8.69985 14.7654 numMergedOcc 0
27 mol 109 unq 2 iso 0 dist 7.4389 10.1404 8.84523 12.3794 8.69985 14.7654 numMergedOcc 0
28 mol 115 unq 0 iso 0 dist 8.64107 7.29402 6.04412 4.82909 4.99221 5.24229 numMergedOcc 0
29 mol 134 unq 0 iso 0 dist 8.84656 9.86688 7.27598 10.879 6.37586 6.50005 numMergedOcc 0
30 mol 134 unq 1 iso 0 dist 8.84656 9.86688 7.27598 16.7911 9.71307 12.0971 numMergedOcc 0
31 mol 134 unq 2 iso 0 dist 4.9155 9.86688 5.57904 9.30817 6.54501 7.41837 numMergedOcc 0
32 mol 134 unq 3 iso 0 dist 4.9155 9.86688 5.57904 10.879 6.49416 6.50005 numMergedOcc 0
33 mol 134 unq 4 iso 0 dist 8.49987 11.3888 5.57904 6.47843 6.54501 7.41837 numMergedOcc 0
34 mol 134 unq 5 iso 0 dist 8.49987 11.3888 5.57904 10.9399 6.49416 6.50005 numMergedOcc 0
35 mol 134 unq 6 iso 0 dist 9.42271 12.3347 5.57904 6.16353 6.54501 7.41837 numMergedOcc 0
36 mol 134 unq 7 iso 0 dist 9.42271 12.3347 5.57904 7.07625 6.49416 6.50005 numMergedOcc 0
37 mol 209 unq 0 iso 0 dist 5.92907 11.0219 6.14896 5.35615 7.56373 9.80484 numMergedOcc 0
38 mol 209 unq 1 iso 0 dist 5.92907 13.6092 9.12289 5.35615 7.56373 11.2544 numMergedOcc 0
39 mol 210 unq 0 iso 0 dist 8.58471 4.922 8.71409 10.3518 6.18308 12.9212 numMergedOcc 0
40 mol 220 unq 0 iso 0 dist 8.14644 11.7698 6.21273 12.2116 9.23153 5.1021 numMergedOcc 0
41 mol 220 unq 1 iso 0 dist 8.14644 11.7698 6.21273 12.2916 8.24498 6.29601 numMergedOcc 0
42 mol 222 unq 0 iso 0 dist 7.88846 7.13239 8.5834 6.17038 7.54212 5.01062 numMergedOcc 0
43 mol 224 unq 0 iso 0 dist 8.14754 11.3928 7.75485 7.43271 5.81334 5.99647 numMergedOcc 0
44 mol 224 unq 1 iso 0 dist 8.14754 7.10298 9.11052 7.43271 5.81334 5.44863 numMergedOcc 0
45 mol 229 unq 0 iso 0 dist 6.32302 5.75801 8.8557 6.52416 8.22528 5.65373 numMergedOcc 0
46 mol 229 unq 1 iso 0 dist 6.88694 5.75801 5.00457 6.52416 7.03423 5.65373 numMergedOcc 0
47 mol 229 unq 2 iso 0 dist 6.88694 5.75801 5.00457 11.1919 9.06952 6.23084 numMergedOcc 0
48 mol 229 unq 3 iso 0 dist 8.53615 11.8915 8.8557 6.81165 8.22528 5.65373 numMergedOcc 0
49 mol 232 unq 0 iso 0 dist 7.57253 4.97762 9.95045 9.29407 8.27212 12.5761 numMergedOcc 0
50 mol 239 unq 0 iso 0 dist 8.82778 16.7643 8.61729 11.4665 6.16342 7.02319 numMergedOcc 0
51 mol 252 unq 0 iso 0 dist 6.17985 4.43412 7.93609 6.79111 8.1148 7.59919 numMergedOcc 0
52 mol 252 unq 1 iso 0 dist 6.17985 4.43412 7.93609 6.02958 8.33025 9.76823 numMergedOcc 0
53 mol 258 unq 0 iso 0 dist 9.2067 13.5198 8.21585 9.88911 6.42289 5.13233 numMergedOcc 0
54 mol 261 unq 0 iso 0 dist 9.80409 13.665 6.82526 4.63237 9.14619 10.9571 numMergedOcc 0
55 mol 261 unq 1 iso 0 dist 9.80409 13.665 6.82526 6.39263 8.45658 10.3274 numMergedOcc 0
56 mol 264 unq 0 iso 0 dist 6.65233 5.84498 6.8902 7.78423 9.17653 12.3593 numMergedOcc 0
57 mol 265 unq 0 iso 0 dist 8.49415 12.9437 5.3051 4.05162 8.4218 11.4819 numMergedOcc 0
58 mol 278 unq 0 iso 0 dist 9.91518 15.3461 8.83775 12.8387 8.44326 4.66992 numMergedOcc 0
59 mol 294 unq 0 iso 0 dist 7.77765 7.02465 5.18789 9.62211 8.15665 5.57044 numMergedOcc 0
