0 mol 1 unq 0 iso 0 dist 6.35771 7.4868 6.51994 9.43252 8.26708 12.6128 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 6.35771 7.4868 6.51994 10.7006 6.09918 12.1523 numMergedOcc 0
2 mol 7 unq 0 iso 0 dist 6.66645 7.13214 7.25346 12.1978 5.72491 11.2662 numMergedOcc 0
3 mol 7 unq 1 iso 0 dist 6.66645 7.13214 7.25346 4.78012 7.88043 5.99972 numMergedOcc 0
4 mol 7 unq 2 iso 0 dist 5.22017 7.13214 10.0658 4.78012 8.80762 5.99972 numMergedOcc 0
5 mol 8 unq 0 iso 0 dist 7.70793 9.69819 12.1318 14.4127 6.82379 17.1469 numMergedOcc 0
6 mol 8 unq 1 iso 0 dist 7.70793 9.69819 12.1318 12.428 6.24978 17.6314 numMergedOcc 0
7 mol 8 unq 2 iso 0 dist 7.70793 9.69819 12.1318 14.2248 9.66439 18.372 numMergedOcc 0
8 mol 8 unq 3 iso 0 dist 7.70793 9.69819 12.1318 8.93161 7.3915 10.745 numMergedOcc 0
9 mol 25 unq 0 iso 0 dist 6.98291 9.67946 11.9391 6.32132 6.6492 9.28244 numMergedOcc 0
10 mol 53 unq 0 iso 0 dist 7.61675 5.66861 9.61785 12.1831 7.09169 15.0694 numMergedOcc 0
11 mol 56 unq 0 iso 0 dist 8.58057 7.52378 8.25666 9.16445 6.77886 7.16773 numMergedOcc 0
12 mol 58 unq 0 iso 0 dist 9.57633 9.42188 11.2157 6.58144 7.27383 13.4665 numMergedOcc 0
13 mol 75 unq 0 iso 0 dist 7.4765 8.52499 6.71323 6.42739 7.9233 11.6939 numMergedOcc 0
14 mol 75 unq 1 iso 0 dist 5.86585 6.2449 6.71323 6.15143 7.9233 11.6939 numMergedOcc 0
15 mol 92 unq 0 iso 0 dist 8.99661 8.57012 14.4996 5.41023 6.61823 8.91313 numMergedOcc 0
16 mol 92 unq 1 iso 0 dist 8.99661 9.75945 6.90324 5.41023 6.61823 8.16392 numMergedOcc 0
17 mol 109 unq 0 iso 0 dist 9.70324 9.51367 10.306 4.32805 8.89913 12.541 numMergedOcc 0
18 mol 112 unq 0 iso 0 dist 5.82495 6.73172 7.60016 5.43987 7.23962 10.1861 numMergedOcc 0
19 mol 112 unq 1 iso 0 dist 5.82495 6.73172 7.60016 11.3454 9.00067 14.351 numMergedOcc 0
20 mol 112 unq 2 iso 0 dist 5.82495 6.73172 7.60016 14.3588 9.89499 15.5153 numMergedOcc 0
21 mol 112 unq 3 iso 0 dist 5.82495 6.73172 7.60016 9.7695 7.30204 10.15 numMergedOcc 0
22 mol 141 unq 0 iso 0 dist 6.78772 9.45931 11.7939 7.862 6.69515 16.5386 numMergedOcc 0
23 mol 141 unq 1 iso 0 dist 6.78772 9.45931 11.7939 5.64577 7.86572 13.5519 numMergedOcc 0
24 mol 141 unq 2 iso 0 dist 6.78772 6.35397 5.38571 7.862 6.69515 11.0743 numMergedOcc 0
25 mol 141 unq 3 iso 0 dist 6.78772 6.35397 5.38571 5.64577 7.86572 9.97343 numMergedOcc 0
26 mol 158 unq 0 iso 0 dist 8.15524 7.13199 10.8263 14.6279 7.88319 14.6377 numMergedOcc 0
27 mol 167 unq 0 iso 0 dist 8.28222 7.93807 12.0204 6.7811 9.94125 13.7242 numMergedOcc 0
28 mol 188 unq 0 iso 0 dist 7.98533 9.0939 12.1509 6.33907 8.57261 11.231 numMergedOcc 0
29 mol 188 unq 1 iso 0 dist 7.98533 6.1338 5.87427 6.33907 8.57261 8.10214 numMergedOcc 0
30 mol 189 unq 0 iso 0 dist 5.15305 7.45329 6.16643 6.67182 8.56355 13.5398 numMergedOcc 0
31 mol 203 unq 0 iso 0 dist 5.88567 9.31742 4.51268 5.1145 8.72527 11.1581 numMergedOcc 0
32 mol 203 unq 1 iso 0 dist 5.79502 6.89817 4.51268 4.57363 8.72527 11.1581 numMergedOcc 0
33 mol 238 unq 0 iso 0 dist 6.52129 8.03226 5.83386 5.65307 5.52379 7.10685 numMergedOcc 0
34 mol 276 unq 0 iso 0 dist 8.96556 8.74282 15.6461 11.6308 6.70215 18.1141 numMergedOcc 0
35 mol 276 unq 1 iso 0 dist 8.96556 8.74282 15.6461 14.0743 7.25423 21.7136 numMergedOcc 0
36 mol 276 unq 2 iso 0 dist 8.96556 8.74282 15.6461 15.638 7.88706 23.1854 numMergedOcc 0
37 mol 276 unq 3 iso 0 dist 8.96556 8.74282 15.6461 4.73253 7.23916 13.3207 numMergedOcc 0
