0 mol 5 unq 0 iso 0 dist 5.04052 7.0627 3.33561 8.35174 7.50453 5.69239 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 6.46284 7.62938 5.31713 5.17677 7.74636 7.64769 numMergedOcc 0
2 mol 5 unq 2 iso 0 dist 6.46284 7.62938 5.31713 8.12453 10.433 8.68577 numMergedOcc 0
3 mol 5 unq 3 iso 0 dist 6.46284 7.62938 5.31713 5.58988 10.8912 9.70883 numMergedOcc 0
4 mol 46 unq 0 iso 0 dist 9.72136 5.92771 13.4768 4.38299 13.6147 3.77542 numMergedOcc 0
5 mol 46 unq 1 iso 0 dist 4.61355 5.92771 6.08836 4.38299 5.4713 3.77542 numMergedOcc 0
6 mol 62 unq 0 iso 0 dist 5.92285 6.42645 5.98227 7.49995 8.93807 4.46067 numMergedOcc 0
7 mol 62 unq 1 iso 0 dist 8.38687 6.42645 5.87787 7.49995 9.7316 4.46067 numMergedOcc 0
8 mol 83 unq 0 iso 0 dist 6.61587 6.72584 3.31218 11.4698 10.6413 7.50925 numMergedOcc 0
9 mol 83 unq 1 iso 0 dist 6.61587 6.72584 3.31218 10.6239 9.88456 6.96722 numMergedOcc 0
10 mol 83 unq 2 iso 0 dist 6.61587 7.25594 5.74818 10.6239 9.88456 7.61085 numMergedOcc 0
11 mol 83 unq 3 iso 0 dist 8.24464 6.72584 9.11262 11.4698 15.9146 7.50925 numMergedOcc 0
12 mol 83 unq 4 iso 0 dist 8.24464 6.72584 9.11262 10.6239 15.5875 6.96722 numMergedOcc 0
13 mol 83 unq 5 iso 0 dist 8.24464 7.25594 9.84043 10.6239 15.5875 7.61085 numMergedOcc 0
14 mol 123 unq 0 iso 0 dist 8.18122 9.85144 3.3389 8.75597 4.14492 5.36214 numMergedOcc 0
15 mol 123 unq 1 iso 0 dist 8.36221 5.80266 3.3389 7.36026 4.14492 5.36214 numMergedOcc 0
16 mol 123 unq 2 iso 0 dist 8.6441 5.18305 8.42496 6.45068 4.14492 5.56127 numMergedOcc 0
17 mol 123 unq 3 iso 0 dist 8.6441 6.78431 3.3389 6.45068 4.14492 5.36214 numMergedOcc 0
18 mol 123 unq 4 iso 0 dist 6.70684 6.60464 3.3389 6.36283 4.14492 5.36214 numMergedOcc 0
19 mol 143 unq 0 iso 0 dist 8.1368 8.72521 8.92479 10.1404 11.0026 4.3855 numMergedOcc 0
20 mol 158 unq 0 iso 0 dist 6.22696 4.80508 5.09517 5.73092 10.6196 7.97228 numMergedOcc 0
21 mol 168 unq 0 iso 0 dist 4.68544 8.1953 8.60565 13.7178 14.451 5.86767 numMergedOcc 0
22 mol 168 unq 1 iso 0 dist 4.68544 8.1953 8.60565 9.33959 11.9693 5.28353 numMergedOcc 0
23 mol 169 unq 0 iso 0 dist 8.79644 8.80004 3.18152 9.55863 7.65903 5.10589 numMergedOcc 0
24 mol 169 unq 1 iso 0 dist 8.79644 8.80004 3.18152 4.68959 5.97653 4.63336 numMergedOcc 0
25 mol 169 unq 2 iso 0 dist 8.79644 8.80004 3.18152 5.99532 7.75523 6.10715 numMergedOcc 0
26 mol 184 unq 0 iso 0 dist 9.53656 9.35481 14.4056 10.2778 16.2679 9.21536 numMergedOcc 0
27 mol 184 unq 1 iso 0 dist 7.06562 9.35481 5.54499 10.2778 12.6248 9.21536 numMergedOcc 0
28 mol 198 unq 0 iso 0 dist 8.37455 7.48253 3.4601 9.0575 10.6821 7.38825 numMergedOcc 0
29 mol 198 unq 1 iso 0 dist 8.80827 6.13687 12.096 5.89703 13.8404 7.38825 numMergedOcc 0
30 mol 198 unq 2 iso 0 dist 8.17562 6.13687 3.4601 5.89703 10.6821 7.38825 numMergedOcc 0
31 mol 214 unq 0 iso 0 dist 8.70011 7.81831 3.64285 8.36583 7.70062 7.96338 numMergedOcc 0
32 mol 214 unq 1 iso 0 dist 8.70011 7.81831 3.64285 5.61704 7.66702 7.42759 numMergedOcc 0
33 mol 284 unq 0 iso 0 dist 6.52085 4.69611 6.53775 3.39008 9.65177 5.6964 numMergedOcc 0
34 mol 284 unq 1 iso 0 dist 9.84174 4.69611 13.4014 3.39008 11.1965 5.6964 numMergedOcc 0
35 mol 285 unq 0 iso 0 dist 7.63933 6.94666 3.14843 8.56197 4.27826 5.88958 numMergedOcc 0
36 mol 285 unq 1 iso 0 dist 7.63933 6.94666 3.14843 12.7469 5.82074 7.78121 numMergedOcc 0
37 mol 287 unq 0 iso 0 dist 7.74312 8.08382 3.66473 6.1158 4.93516 4.68668 numMergedOcc 0
38 mol 288 unq 0 iso 0 dist 7.74312 8.08382 3.66473 6.1158 4.93516 4.68668 numMergedOcc 0
39 mol 289 unq 0 iso 0 dist 7.74312 8.08382 3.66473 6.1158 4.93516 4.68668 numMergedOcc 0
