0 mol 0 unq 0 iso 0 dist 8.82108 7.48581 8.99617 12.7669 11.2001 9.19007 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 9.59745 7.01229 8.99617 15.5903 11.2001 9.19007 numMergedOcc 0
2 mol 1 unq 0 iso 0 dist 9.66576 10.2778 9.60596 15.8756 9.01148 8.26708 numMergedOcc 0
3 mol 1 unq 1 iso 0 dist 9.66576 10.2778 9.60596 15.8572 12.4943 6.09918 numMergedOcc 0
4 mol 19 unq 0 iso 0 dist 9.3147 4.93362 8.41365 11.4946 6.92576 7.48847 numMergedOcc 0
5 mol 19 unq 1 iso 0 dist 9.3147 4.93362 8.41365 10.1953 13.4414 6.92532 numMergedOcc 0
6 mol 19 unq 2 iso 0 dist 9.3147 4.93362 8.41365 7.84393 10.5285 6.36455 numMergedOcc 0
7 mol 38 unq 0 iso 0 dist 5.86243 8.4072 8.10697 7.57586 5.39129 7.05737 numMergedOcc 0
8 mol 38 unq 1 iso 0 dist 5.86243 8.4072 8.10697 10.3065 5.29179 7.54179 numMergedOcc 0
9 mol 38 unq 2 iso 0 dist 7.55357 9.36454 8.10697 11.7939 5.39129 7.05737 numMergedOcc 0
10 mol 38 unq 3 iso 0 dist 7.55357 9.36454 8.10697 8.86547 5.29179 7.54179 numMergedOcc 0
11 mol 44 unq 0 iso 0 dist 8.23606 12.6735 8.6578 13.8654 6.07691 7.52117 numMergedOcc 0
12 mol 103 unq 0 iso 0 dist 7.57822 8.4354 8.21549 7.55805 6.35372 9.44561 numMergedOcc 0
13 mol 133 unq 0 iso 0 dist 5.12189 8.23536 4.7699 10.2321 7.50998 8.56003 numMergedOcc 0
14 mol 133 unq 1 iso 0 dist 7.50911 3.94173 4.7699 12.3933 7.50998 8.56003 numMergedOcc 0
15 mol 143 unq 0 iso 0 dist 7.64085 6.36527 9.07229 12.703 10.6381 8.41611 numMergedOcc 0
16 mol 162 unq 0 iso 0 dist 8.954 12.1377 7.34321 15.2202 6.71523 8.00506 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 6.43585 7.55335 9.39664 6.86297 5.43796 9.98215 numMergedOcc 0
18 mol 186 unq 1 iso 0 dist 9.45817 5.57831 9.39664 11.0743 5.43796 9.98215 numMergedOcc 0
19 mol 220 unq 0 iso 0 dist 7.86207 5.41948 6.50846 8.9077 4.90657 5.45036 numMergedOcc 0
20 mol 223 unq 0 iso 0 dist 6.03408 7.79881 6.82737 9.52613 4.67731 6.13306 numMergedOcc 0
21 mol 223 unq 1 iso 0 dist 7.80764 6.33419 6.82737 9.94212 4.67731 6.13306 numMergedOcc 0
22 mol 223 unq 2 iso 0 dist 5.75896 6.33419 6.80967 9.94212 7.19485 6.13306 numMergedOcc 0
23 mol 230 unq 0 iso 0 dist 6.23346 6.46721 5.51163 8.56954 5.53578 9.09271 numMergedOcc 0
24 mol 230 unq 1 iso 0 dist 6.23346 6.46721 5.51163 9.23938 7.7551 7.44838 numMergedOcc 0
25 mol 230 unq 2 iso 0 dist 6.88683 5.02022 8.02209 8.33847 6.87235 6.41286 numMergedOcc 0
26 mol 230 unq 3 iso 0 dist 7.43793 9.81615 8.02209 9.12305 6.87235 6.41286 numMergedOcc 0
27 mol 232 unq 0 iso 0 dist 7.76477 7.79571 6.29118 11.026 4.90814 7.83711 numMergedOcc 0
28 mol 232 unq 1 iso 0 dist 6.82688 5.68442 6.29118 10.8093 4.90814 7.83711 numMergedOcc 0
29 mol 232 unq 2 iso 0 dist 5.92175 6.4535 6.29118 7.47238 4.90814 7.83711 numMergedOcc 0
30 mol 235 unq 0 iso 0 dist 7.38609 3.94313 7.22411 10.1494 10.6339 6.39158 numMergedOcc 0
31 mol 235 unq 1 iso 0 dist 7.38609 3.94313 7.22411 7.93727 6.25956 7.75722 numMergedOcc 0
32 mol 244 unq 0 iso 0 dist 6.51428 4.70754 7.09511 12.3718 9.65391 9.80092 numMergedOcc 0
33 mol 248 unq 0 iso 0 dist 8.11968 4.01898 8.46518 6.44967 4.53213 6.17052 numMergedOcc 0
34 mol 248 unq 1 iso 0 dist 8.11968 4.01898 8.46518 11.4848 6.33032 9.77666 numMergedOcc 0
35 mol 279 unq 0 iso 0 dist 9.98985 13.4406 7.92537 17.1469 13.9298 8.29305 numMergedOcc 0
36 mol 279 unq 1 iso 0 dist 9.98985 13.4406 7.92537 10.5425 9.73122 6.43341 numMergedOcc 0
