0 mol 0 unq 0 iso 0 dist 9.5614 5.25456 7.15528 10.0273 9.19662 6.26831 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 5.55156 7.1599 7.15528 12.1007 9.19662 6.26831 numMergedOcc 0
2 mol 7 unq 0 iso 0 dist 6.22892 7.15287 8.41585 12.0214 10.2446 7.88043 numMergedOcc 0
3 mol 7 unq 1 iso 0 dist 6.22892 7.15287 8.41585 11.7931 12.3097 8.80762 numMergedOcc 0
4 mol 9 unq 0 iso 0 dist 9.47321 5.91584 8.57077 12.2499 3.98483 9.78006 numMergedOcc 0
5 mol 14 unq 0 iso 0 dist 6.30573 6.24146 9.04767 13.3398 10.6873 9.58855 numMergedOcc 0
6 mol 19 unq 0 iso 0 dist 8.18518 6.57145 4.54938 8.63204 5.18512 6.92532 numMergedOcc 0
7 mol 19 unq 1 iso 0 dist 8.18518 6.01189 7.82074 8.63204 5.18512 6.36455 numMergedOcc 0
8 mol 24 unq 0 iso 0 dist 6.85331 9.20254 6.86014 4.61828 6.00575 6.60423 numMergedOcc 0
9 mol 60 unq 0 iso 0 dist 8.8058 5.09908 8.33063 8.4928 9.62257 9.96399 numMergedOcc 0
10 mol 60 unq 1 iso 0 dist 8.8058 10.0675 8.7531 8.4928 9.62257 7.55695 numMergedOcc 0
11 mol 85 unq 0 iso 0 dist 9.22376 3.85308 7.66905 9.924 10.121 7.33422 numMergedOcc 0
12 mol 100 unq 0 iso 0 dist 9.57498 6.89762 6.45675 14.5893 11.8512 9.00544 numMergedOcc 0
13 mol 100 unq 1 iso 0 dist 9.57498 6.89762 6.45675 6.14415 9.52882 7.12017 numMergedOcc 0
14 mol 112 unq 0 iso 0 dist 9.43616 10.746 7.71338 10.7806 8.56707 6.43433 numMergedOcc 0
15 mol 112 unq 1 iso 0 dist 5.81552 10.626 9.60462 19.0535 17.3924 9.92283 numMergedOcc 0
16 mol 112 unq 2 iso 0 dist 5.81552 10.626 9.60462 6.48223 3.98564 7.23962 numMergedOcc 0
17 mol 112 unq 3 iso 0 dist 5.81552 5.27363 7.45389 6.48223 3.98564 7.30204 numMergedOcc 0
18 mol 114 unq 0 iso 0 dist 9.24515 5.24877 7.5732 7.73842 11.128 6.34525 numMergedOcc 0
19 mol 115 unq 0 iso 0 dist 7.44784 7.64822 7.30858 8.99731 5.61704 5.72642 numMergedOcc 0
20 mol 115 unq 1 iso 0 dist 9.56867 7.64822 7.88312 8.99731 7.3094 5.72642 numMergedOcc 0
21 mol 130 unq 0 iso 0 dist 9.05626 7.09664 8.70949 4.85559 5.97111 8.33077 numMergedOcc 0
22 mol 143 unq 0 iso 0 dist 5.30872 6.3915 5.99315 13.0547 12.7056 8.41611 numMergedOcc 0
23 mol 143 unq 1 iso 0 dist 5.30872 6.3915 5.99315 13.9236 12.8872 7.63338 numMergedOcc 0
24 mol 143 unq 2 iso 0 dist 5.30872 6.3915 5.99315 12.3804 7.76364 9.03707 numMergedOcc 0
25 mol 143 unq 3 iso 0 dist 5.30872 6.3915 5.99315 12.697 9.23795 7.25673 numMergedOcc 0
26 mol 186 unq 0 iso 0 dist 6.86297 7.56632 9.09754 12.4751 9.97575 8.64409 numMergedOcc 0
27 mol 188 unq 0 iso 0 dist 7.63268 7.63236 9.96154 9.53031 4.46081 8.47347 numMergedOcc 0
28 mol 210 unq 0 iso 0 dist 8.07523 13.3929 6.18308 17.6094 9.59996 5.37446 numMergedOcc 0
29 mol 210 unq 1 iso 0 dist 7.56882 12.3088 6.18308 16.1367 9.59996 5.37446 numMergedOcc 0
30 mol 214 unq 0 iso 0 dist 9.4835 14.5108 8.82096 15.5549 10.2399 8.46327 numMergedOcc 0
31 mol 222 unq 0 iso 0 dist 7.27481 5.68063 6.00706 9.04499 6.42798 7.862 numMergedOcc 0
32 mol 238 unq 0 iso 0 dist 7.98022 6.3873 5.72887 12.6187 12.3808 7.32982 numMergedOcc 0
33 mol 253 unq 0 iso 0 dist 7.71295 6.27022 6.73034 9.92698 6.89124 9.66465 numMergedOcc 0
34 mol 258 unq 0 iso 0 dist 7.9357 8.73372 6.42289 12.04 5.27959 9.53063 numMergedOcc 0
35 mol 258 unq 1 iso 0 dist 8.81059 9.78068 6.42289 14.0614 5.27959 9.53063 numMergedOcc 0
36 mol 272 unq 0 iso 0 dist 4.78812 5.27123 8.33638 7.11691 8.7909 8.46061 numMergedOcc 0
37 mol 272 unq 1 iso 0 dist 6.62923 11.9042 9.97651 7.11691 4.86504 9.64269 numMergedOcc 0
38 mol 272 unq 2 iso 0 dist 6.62923 5.27123 8.46116 7.11691 4.86504 8.46061 numMergedOcc 0
