0 mol 11 unq 0 iso 0 dist 6.84216 10.7734 9.81983 4.10106 9.89425 9.74251 10.0658 3.66215 9.09091 12.4305 numMergedOcc 0
1 mol 18 unq 0 iso 0 dist 8.02753 5.32758 5.59658 7.76823 8.11835 3.84273 13.9014 9.4067 8.80193 9.35863 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 7.98005 10.797 9.82851 7.11305 8.97754 5.29055 12.0096 12.6238 7.22361 10.2012 numMergedOcc 0
3 mol 26 unq 1 iso 0 dist 7.98005 10.797 9.82851 7.11305 8.97754 5.29055 13.2086 7.97596 6.15893 9.06516 numMergedOcc 0
4 mol 26 unq 2 iso 0 dist 7.98005 10.9837 9.11311 7.11305 8.97754 4.76998 13.2086 7.97596 5.497 9.06516 numMergedOcc 0
5 mol 58 unq 0 iso 0 dist 9.23438 10.2049 6.41008 13.5805 9.10675 5.45005 17.4911 10.5052 7.6481 8.13051 numMergedOcc 0
6 mol 58 unq 1 iso 0 dist 9.23438 10.2049 6.41008 13.5805 9.10675 5.45005 8.63333 4.43437 9.11258 10.1478 numMergedOcc 0
7 mol 58 unq 2 iso 0 dist 7.17488 5.49591 6.41008 10.0669 9.10675 5.45005 12.7237 10.5052 7.6481 8.13051 numMergedOcc 0
8 mol 58 unq 3 iso 0 dist 7.17488 5.49591 6.41008 10.0669 9.10675 5.45005 8.89374 4.43437 9.11258 10.1478 numMergedOcc 0
9 mol 58 unq 4 iso 0 dist 6.79356 5.85698 6.41008 4.00553 9.10675 5.45005 10.5905 10.5052 7.6481 8.13051 numMergedOcc 0
10 mol 58 unq 5 iso 0 dist 6.79356 5.85698 6.41008 4.00553 9.10675 5.45005 6.46761 4.43437 9.11258 10.1478 numMergedOcc 0
11 mol 79 unq 0 iso 0 dist 5.25027 9.69296 7.56495 5.80367 7.92114 9.78235 16.5694 12.7451 9.63599 18.6327 numMergedOcc 0
12 mol 79 unq 1 iso 0 dist 5.25027 9.69296 7.56495 5.80367 7.92114 9.78235 9.26357 7.82927 8.01743 13.3673 numMergedOcc 0
13 mol 79 unq 2 iso 0 dist 5.25027 9.69296 7.56495 10.1442 8.18375 6.06691 16.5694 12.7451 9.63599 14.3253 numMergedOcc 0
14 mol 79 unq 3 iso 0 dist 5.25027 9.69296 7.56495 10.1442 8.18375 6.06691 9.26357 7.82927 8.01743 12.9343 numMergedOcc 0
15 mol 119 unq 0 iso 0 dist 4.80684 5.92984 6.21165 6.30721 4.55071 10.3622 7.39889 3.71283 7.26955 6.55202 numMergedOcc 0
16 mol 119 unq 1 iso 0 dist 7.60162 7.45148 6.21165 10.5082 4.55071 10.3622 10.5042 3.71283 7.26955 6.55202 numMergedOcc 0
17 mol 134 unq 0 iso 0 dist 6.09063 5.18913 5.13405 5.76063 6.76852 4.07076 9.30812 5.45 6.21403 5.73203 numMergedOcc 0
18 mol 134 unq 1 iso 0 dist 6.09063 5.18913 5.13405 4.63567 4.94473 6.32315 9.30812 5.45 6.21403 6.57379 numMergedOcc 0
19 mol 143 unq 0 iso 0 dist 8.64905 10.4028 7.2932 7.39837 6.60366 4.06908 9.93541 4.19541 9.30424 7.46803 numMergedOcc 0
20 mol 168 unq 0 iso 0 dist 7.48734 11.7533 6.12453 4.67135 7.0961 12.6805 14.8653 7.8982 7.60254 13.1712 numMergedOcc 0
21 mol 168 unq 1 iso 0 dist 7.48734 11.7533 6.12453 13.2594 8.21227 4.02702 14.8653 7.8982 7.60254 7.06851 numMergedOcc 0
22 mol 168 unq 2 iso 0 dist 7.48734 11.7533 6.12453 11.6594 6.53038 7.61798 14.8653 7.8982 7.60254 10.8636 numMergedOcc 0
23 mol 168 unq 3 iso 0 dist 5.6125 7.32989 6.12453 9.87321 7.0961 12.6805 12.5445 7.8982 7.60254 13.1712 numMergedOcc 0
24 mol 168 unq 4 iso 0 dist 5.6125 7.32989 6.12453 10.7557 8.21227 4.02702 12.5445 7.8982 7.60254 7.06851 numMergedOcc 0
25 mol 168 unq 5 iso 0 dist 5.6125 7.32989 6.12453 5.16335 6.53038 7.61798 12.5445 7.8982 7.60254 10.8636 numMergedOcc 0
26 mol 186 unq 0 iso 0 dist 9.65093 7.94756 8.2241 11.6282 9.4366 3.87082 14.4305 6.54455 8.97471 7.25339 numMergedOcc 0
27 mol 256 unq 0 iso 0 dist 4.80903 5.28793 4.36333 6.30188 7.32564 4.10994 5.24676 3.89364 7.48269 8.94802 numMergedOcc 0
28 mol 256 unq 1 iso 0 dist 4.80903 4.99672 6.96483 6.30188 7.32564 3.90666 5.24676 3.89364 6.71249 8.94802 numMergedOcc 0
