0 mol 2 unq 0 iso 0 dist 8.66033 14.6076 6.52386 10.294 9.53758 15.1719 numMergedOcc 0
1 mol 2 unq 1 iso 0 dist 9.54324 9.8254 6.52386 17.2357 9.53758 15.1719 numMergedOcc 0
2 mol 6 unq 0 iso 0 dist 4.75521 6.11052 9.78307 5.71373 8.36949 9.87531 numMergedOcc 0
3 mol 6 unq 1 iso 0 dist 4.75521 6.11052 9.78307 4.52637 8.8273 6.81551 numMergedOcc 0
4 mol 7 unq 0 iso 0 dist 8.81871 9.2768 5.77374 14.5403 6.0323 9.30196 numMergedOcc 0
5 mol 7 unq 1 iso 0 dist 9.71959 9.2768 8.57437 14.2168 8.85869 13.63 numMergedOcc 0
6 mol 44 unq 0 iso 0 dist 4.52881 4.61354 7.85573 7.26957 9.53901 10.1746 numMergedOcc 0
7 mol 44 unq 1 iso 0 dist 4.52881 6.03595 6.21423 7.26957 9.53901 9.23503 numMergedOcc 0
8 mol 56 unq 0 iso 0 dist 9.6104 15.0335 9.60995 11.1705 8.23618 10.0087 numMergedOcc 0
9 mol 59 unq 0 iso 0 dist 9.37527 5.90701 6.34078 6.9157 9.35329 4.97125 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 8.91858 16.776 9.10386 7.25937 8.40844 12.2435 numMergedOcc 0
11 mol 73 unq 1 iso 0 dist 8.91858 16.776 9.10386 12.1332 7.02351 14.2654 numMergedOcc 0
12 mol 73 unq 2 iso 0 dist 8.91858 16.776 9.10386 14.2641 8.66342 10.362 numMergedOcc 0
13 mol 83 unq 0 iso 0 dist 5.08925 5.22234 8.95808 6.95593 7.78306 5.86285 numMergedOcc 0
14 mol 83 unq 1 iso 0 dist 5.08925 5.8771 8.48766 6.95593 7.78306 11.8236 numMergedOcc 0
15 mol 89 unq 0 iso 0 dist 5.37527 5.97457 7.24906 10.5526 9.14778 10.1588 numMergedOcc 0
16 mol 99 unq 0 iso 0 dist 6.24473 6.27172 5.33644 5.77364 8.23566 5.36117 numMergedOcc 0
17 mol 108 unq 0 iso 0 dist 7.84109 5.32598 6.46069 4.85547 9.24001 5.64746 numMergedOcc 0
18 mol 131 unq 0 iso 0 dist 6.30762 9.30741 8.89412 5.7687 7.8034 10.3282 numMergedOcc 0
19 mol 133 unq 0 iso 0 dist 6.90904 6.53566 9.63488 7.587 6.89564 7.55155 numMergedOcc 0
20 mol 133 unq 1 iso 0 dist 6.90904 4.77272 9.31907 7.587 6.89564 10.3667 numMergedOcc 0
21 mol 134 unq 0 iso 0 dist 9.91507 11.6041 9.49104 3.94348 9.21999 12.0027 numMergedOcc 0
22 mol 151 unq 0 iso 0 dist 8.20292 5.34678 5.89907 8.90385 6.12385 4.39532 numMergedOcc 0
23 mol 185 unq 0 iso 0 dist 9.94658 12.445 5.40655 4.75513 6.11382 8.51 numMergedOcc 0
24 mol 211 unq 0 iso 0 dist 8.47937 8.40497 7.38723 12.3964 7.15386 5.45968 numMergedOcc 0
25 mol 211 unq 1 iso 0 dist 8.47937 8.40497 7.38723 15.0308 7.73993 9.04294 numMergedOcc 0
26 mol 211 unq 2 iso 0 dist 8.47937 8.40497 7.38723 14.8063 9.45365 9.3095 numMergedOcc 0
27 mol 226 unq 0 iso 0 dist 9.29519 6.08918 8.10096 15.0399 9.05082 12.8829 numMergedOcc 0
28 mol 265 unq 0 iso 0 dist 9.09556 4.86861 6.98812 11.1145 8.19772 7.40176 numMergedOcc 0
29 mol 269 unq 0 iso 0 dist 6.78303 4.50547 7.97206 10.0084 9.91093 12.5683 numMergedOcc 0
30 mol 269 unq 1 iso 0 dist 6.78303 5.57581 7.1068 10.0084 9.91093 10.2496 numMergedOcc 0
31 mol 269 unq 2 iso 0 dist 8.89706 6.37646 7.97206 7.2356 9.91093 12.5683 numMergedOcc 0
32 mol 269 unq 3 iso 0 dist 8.89706 8.94147 7.1068 7.2356 9.91093 10.2496 numMergedOcc 0
33 mol 279 unq 0 iso 0 dist 8.85653 4.0145 9.71653 8.44153 8.15805 10.6101 numMergedOcc 0
