0 mol 7 unq 0 iso 0 dist 6.0323 8.05125 5.96526 7.15434 5.70161 9.17482 15.7038 12.0771 9.28571 17.036 numMergedOcc 0
1 mol 56 unq 0 iso 0 dist 9.49909 8.0757 4.98324 8.40931 7.40093 3.73188 8.97054 8.37022 9.8958 12.9423 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 7.02351 6.7939 5.4653 8.16299 11.2674 7.80518 12.5626 13.9009 8.44695 8.27015 numMergedOcc 0
3 mol 73 unq 1 iso 0 dist 7.02351 6.7939 5.4653 8.16299 11.2674 7.80518 12.3241 8.66342 5.68894 12.2721 numMergedOcc 0
4 mol 73 unq 2 iso 0 dist 7.02351 6.85356 4.63063 8.16299 11.2674 11.6012 12.3241 8.66342 7.32265 12.2721 numMergedOcc 0
5 mol 98 unq 0 iso 0 dist 8.87856 6.62952 11.2334 5.85841 6.83826 4.75433 5.4823 11.3126 4.3521 6.78839 numMergedOcc 0
6 mol 98 unq 1 iso 0 dist 8.87856 6.62952 11.2334 7.00285 9.94628 11.5098 5.4823 11.3126 4.3521 8.02354 numMergedOcc 0
7 mol 98 unq 2 iso 0 dist 6.2491 6.62952 7.89992 5.85841 9.30656 4.75433 5.4823 3.59451 4.3521 6.78839 numMergedOcc 0
8 mol 98 unq 3 iso 0 dist 6.2491 6.62952 7.89992 7.00285 5.39087 11.5098 5.4823 3.59451 4.3521 8.02354 numMergedOcc 0
9 mol 98 unq 4 iso 0 dist 3.59451 4.3521 7.89992 6.78839 9.30656 4.75433 5.4823 6.2491 6.62952 5.85841 numMergedOcc 0
10 mol 98 unq 5 iso 0 dist 3.59451 4.3521 7.89992 8.02354 5.39087 11.5098 5.4823 6.2491 6.62952 7.00285 numMergedOcc 0
11 mol 98 unq 6 iso 0 dist 8.26758 4.7588 5.33623 6.26542 10.844 6.07909 3.39244 10.1377 7.14505 9.00692 numMergedOcc 0
12 mol 98 unq 7 iso 0 dist 8.26758 4.7588 5.33623 7.02765 14.1618 9.02353 3.39244 10.1377 7.14505 7.62058 numMergedOcc 0
13 mol 101 unq 0 iso 0 dist 9.1109 7.11476 4.39441 9.3485 7.53958 4.59715 6.21457 12.68 9.60223 12.151 numMergedOcc 0
14 mol 101 unq 1 iso 0 dist 5.51185 7.11476 4.84084 9.3485 4.79998 4.59715 6.21457 10.3452 9.60223 12.151 numMergedOcc 0
15 mol 125 unq 0 iso 0 dist 6.6081 8.75402 4.77979 7.76202 6.92879 5.87414 10.6764 9.64304 8.48363 13.084 numMergedOcc 0
16 mol 125 unq 1 iso 0 dist 9.64304 8.48363 4.77979 6.03557 9.19339 6.10523 10.6764 6.6081 8.75402 13.0388 numMergedOcc 0
17 mol 134 unq 0 iso 0 dist 7.94564 6.00896 6.01484 6.54987 7.38651 4.8408 10.0801 14.1149 8.15734 10.1361 numMergedOcc 0
18 mol 134 unq 1 iso 0 dist 9.21999 6.00896 10.6104 6.54987 10.3334 4.8408 10.0801 18.1155 8.15734 10.1361 numMergedOcc 0
19 mol 209 unq 0 iso 0 dist 8.65539 6.74526 6.04843 6.14896 7.49966 7.34962 5.1282 12.8755 8.68691 9.12289 numMergedOcc 0
20 mol 209 unq 1 iso 0 dist 8.65539 8.12326 10.2501 6.14896 7.49966 7.61997 5.1282 12.8755 7.37014 9.12289 numMergedOcc 0
21 mol 209 unq 2 iso 0 dist 8.65539 8.12326 10.2501 6.14896 7.49966 7.61997 9.5473 16.3357 8.20431 10.795 numMergedOcc 0
22 mol 230 unq 0 iso 0 dist 5.00735 9.32781 4.85368 5.62804 7.07028 9.33469 10.6003 9.27643 7.66323 10.8539 numMergedOcc 0
23 mol 230 unq 1 iso 0 dist 5.00735 9.32781 4.85368 9.3619 11.491 14.1107 10.6003 9.27643 7.66323 16.2574 numMergedOcc 0
24 mol 230 unq 2 iso 0 dist 6.73755 9.32781 7.91665 5.62804 5.26217 9.33469 10.6003 12.9267 7.66323 10.8539 numMergedOcc 0
25 mol 230 unq 3 iso 0 dist 6.73755 9.32781 7.91665 9.3619 7.46522 14.1107 10.6003 12.9267 7.66323 16.2574 numMergedOcc 0
26 mol 277 unq 0 iso 0 dist 8.83777 6.40125 6.08499 7.07459 12.7283 12.8864 11.8204 12.7326 7.25282 18.4178 numMergedOcc 0
27 mol 277 unq 1 iso 0 dist 9.42812 6.40125 10.3278 7.07459 13.8339 12.8864 11.8204 15.5229 7.25282 18.4178 numMergedOcc 0
