0 mol 30 unq 0 iso 0 dist 7.83595 8.204 10.5615 7.88072 7.22162 3.90342 4.5844 11.5125 7.13565 8.67216 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 7.38928 5.35252 5.03338 7.99434 9.85208 6.44604 5.76698 12.5606 8.8645 7.78689 numMergedOcc 0
2 mol 48 unq 1 iso 0 dist 8.36915 9.53081 13.2937 5.43913 5.44336 13.4515 12.665 16.7433 7.34325 17.3341 numMergedOcc 0
3 mol 48 unq 2 iso 0 dist 8.36915 9.53081 13.2937 5.43913 5.44336 13.4515 14.1985 18.0898 6.42037 18.737 numMergedOcc 0
4 mol 48 unq 3 iso 0 dist 8.36915 9.53081 13.2937 8.26877 10.4965 17.6258 12.665 16.7433 7.34325 20.6489 numMergedOcc 0
5 mol 48 unq 4 iso 0 dist 8.36915 9.53081 13.2937 8.26877 10.4965 17.6258 14.1985 18.0898 6.42037 22.4406 numMergedOcc 0
6 mol 48 unq 5 iso 0 dist 6.01454 9.53081 5.41488 5.43913 9.12054 13.4515 12.665 8.94842 7.34325 17.3341 numMergedOcc 0
7 mol 48 unq 6 iso 0 dist 6.01454 9.53081 5.41488 5.43913 9.12054 13.4515 14.1985 9.9555 6.42037 18.737 numMergedOcc 0
8 mol 48 unq 7 iso 0 dist 6.01454 9.53081 5.41488 8.26877 13.688 17.6258 12.665 8.94842 7.34325 20.6489 numMergedOcc 0
9 mol 48 unq 8 iso 0 dist 6.01454 9.53081 5.41488 8.26877 13.688 17.6258 14.1985 9.9555 6.42037 22.4406 numMergedOcc 0
10 mol 79 unq 0 iso 0 dist 7.41952 8.64686 9.57704 6.65972 8.14479 4.13187 7.18389 12.7824 7.82966 8.75375 numMergedOcc 0
11 mol 79 unq 1 iso 0 dist 7.41952 8.64686 9.57704 6.65972 8.14479 4.13187 11.5374 16.3634 8.26763 9.04293 numMergedOcc 0
12 mol 79 unq 2 iso 0 dist 7.41952 8.64686 9.57704 6.65972 8.14479 4.13187 5.21981 10.7273 6.30814 4.78333 numMergedOcc 0
13 mol 79 unq 3 iso 0 dist 7.41952 8.64686 9.57704 6.65972 8.14479 4.13187 8.12985 8.0318 7.318 9.18411 numMergedOcc 0
14 mol 79 unq 4 iso 0 dist 7.41952 8.64686 9.57704 4.2253 9.07516 9.13196 7.18389 12.7824 7.82966 9.14743 numMergedOcc 0
15 mol 79 unq 5 iso 0 dist 7.41952 8.64686 9.57704 4.2253 9.07516 9.13196 11.5374 16.3634 8.26763 10.8282 numMergedOcc 0
16 mol 79 unq 6 iso 0 dist 7.41952 8.64686 9.57704 4.2253 9.07516 9.13196 5.21981 10.7273 6.30814 4.74254 numMergedOcc 0
17 mol 79 unq 7 iso 0 dist 7.41952 8.64686 9.57704 4.2253 9.07516 9.13196 8.12985 8.0318 7.318 11.446 numMergedOcc 0
18 mol 91 unq 0 iso 0 dist 5.78962 8.91354 7.47242 8.91998 5.4863 10.8497 5.09341 7.77953 9.84288 7.71625 numMergedOcc 0
19 mol 127 unq 0 iso 0 dist 8.98151 5.83719 8.21735 9.64136 4.24788 11.1718 7.4454 15.3549 9.35701 16.2108 numMergedOcc 0
20 mol 157 unq 0 iso 0 dist 9.668 6.8976 11.1313 8.36016 7.72329 5.07066 5.332 9.35772 8.9078 7.91458 numMergedOcc 0
21 mol 186 unq 0 iso 0 dist 7.02662 6.72718 6.12748 9.12589 9.6014 9.57585 13.4486 13.507 8.09915 12.0605 numMergedOcc 0
22 mol 210 unq 0 iso 0 dist 6.41444 8.05949 7.48216 7.95917 5.30972 4.68656 10.8542 10.0723 7.80421 11.1484 numMergedOcc 0
23 mol 210 unq 1 iso 0 dist 6.41444 8.05949 7.48216 7.95917 5.30972 4.68656 14.6074 16.6086 9.71107 14.2309 numMergedOcc 0
24 mol 210 unq 2 iso 0 dist 6.41444 8.05949 7.48216 7.95917 5.30972 4.68656 13.6787 16.5751 9.7449 13.7219 numMergedOcc 0
25 mol 244 unq 0 iso 0 dist 6.51428 7.79787 13.4155 9.3491 12.2668 6.88123 8.65358 13.2708 8.93589 14.4958 numMergedOcc 0
26 mol 249 unq 0 iso 0 dist 7.58833 3.67935 4.88298 6.62413 7.19269 4.49386 6.46469 9.1515 8.56493 11.0585 numMergedOcc 0
27 mol 249 unq 1 iso 0 dist 9.04715 3.67935 5.75331 6.62413 4.77145 4.49386 6.46469 14.1233 8.56493 11.0585 numMergedOcc 0
28 mol 266 unq 0 iso 0 dist 9.77392 9.0836 16.492 6.48382 16.2409 7.63149 7.90149 14.1584 8.9221 8.20376 numMergedOcc 0
29 mol 266 unq 1 iso 0 dist 9.77392 9.62494 18.9489 6.48382 16.2409 4.39553 7.90149 14.1584 9.51145 8.20376 numMergedOcc 0
30 mol 279 unq 0 iso 0 dist 5.78017 8.03486 7.78018 9.98182 6.3791 5.04826 4.91802 8.9352 8.34313 11.6824 numMergedOcc 0
31 mol 279 unq 1 iso 0 dist 8.78203 8.03486 5.38411 9.98182 9.86569 5.04826 4.91802 5.8845 8.34313 11.6824 numMergedOcc 0
32 mol 287 unq 0 iso 0 dist 8.0935 7.14859 8.13485 9.31611 14.6969 8.95194 13.8618 14.152 8.43856 15.192 numMergedOcc 0
33 mol 288 unq 0 iso 0 dist 8.0935 7.14859 8.13485 9.31611 14.6969 8.95194 13.8618 14.152 8.43856 15.192 numMergedOcc 0
34 mol 289 unq 0 iso 0 dist 8.0935 7.14859 8.13485 9.31611 14.6969 8.95194 13.8618 14.152 8.43856 15.192 numMergedOcc 0
