0 mol 7 unq 0 iso 0 dist 7.32392 15.5277 9.60499 10.5949 6.7985 6.55304 5.59295 6.44736 12.2869 6.14349 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 7.32392 15.5277 9.60499 5.59295 6.44736 12.2869 10.5949 6.7985 6.55304 6.14349 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.20058 16.6906 8.86116 13.4836 8.60554 8.52463 11.9824 8.44664 10.971 14.1496 numMergedOcc 0
3 mol 24 unq 0 iso 1 dist 8.20058 16.6906 8.86116 11.9824 8.44664 10.971 13.4836 8.60554 8.52463 14.1496 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 8.20058 16.6906 8.86116 13.4836 8.60554 8.52463 9.04355 9.44691 13.4893 9.62033 numMergedOcc 0
5 mol 24 unq 1 iso 1 dist 8.20058 16.6906 8.86116 9.04355 9.44691 13.4893 13.4836 8.60554 8.52463 9.62033 numMergedOcc 0
6 mol 24 unq 1 iso 0 dist 8.20058 16.6906 8.86116 11.9824 8.44664 10.971 9.04355 9.44691 13.4893 10.4263 numMergedOcc 0
7 mol 24 unq 1 iso 1 dist 8.20058 16.6906 8.86116 9.04355 9.44691 13.4893 11.9824 8.44664 10.971 10.4263 numMergedOcc 0
8 mol 24 unq 2 iso 0 dist 8.20058 14.9411 8.38394 13.4836 8.60554 12.3994 11.9824 8.44664 5.30734 14.1496 numMergedOcc 0
9 mol 24 unq 2 iso 1 dist 8.20058 14.9411 8.38394 11.9824 8.44664 5.30734 13.4836 8.60554 12.3994 14.1496 numMergedOcc 0
10 mol 24 unq 3 iso 0 dist 8.20058 14.9411 8.38394 13.4836 8.60554 12.3994 9.04355 9.44691 12.505 9.62033 numMergedOcc 0
11 mol 24 unq 3 iso 1 dist 8.20058 14.9411 8.38394 9.04355 9.44691 12.505 13.4836 8.60554 12.3994 9.62033 numMergedOcc 0
12 mol 24 unq 3 iso 0 dist 8.20058 14.9411 8.38394 11.9824 8.44664 5.30734 9.04355 9.44691 12.505 10.4263 numMergedOcc 0
13 mol 24 unq 3 iso 1 dist 8.20058 14.9411 8.38394 9.04355 9.44691 12.505 11.9824 8.44664 5.30734 10.4263 numMergedOcc 0
14 mol 100 unq 0 iso 0 dist 5.70279 5.92158 7.47343 10.838 8.30845 12.2861 11.4018 8.76378 15.5385 13.3504 numMergedOcc 0
15 mol 100 unq 0 iso 1 dist 5.70279 5.92158 7.47343 11.4018 8.76378 15.5385 10.838 8.30845 12.2861 13.3504 numMergedOcc 0
16 mol 100 unq 1 iso 0 dist 5.70279 5.85449 6.65086 10.838 8.30845 5.80144 11.4018 8.76378 12.3577 13.3504 numMergedOcc 0
17 mol 100 unq 1 iso 1 dist 5.70279 5.85449 6.65086 11.4018 8.76378 12.3577 10.838 8.30845 5.80144 13.3504 numMergedOcc 0
18 mol 100 unq 2 iso 0 dist 5.70279 7.68675 6.56369 10.838 8.30845 10.0456 11.4018 8.76378 4.97045 13.3504 numMergedOcc 0
19 mol 100 unq 2 iso 1 dist 5.70279 7.68675 6.56369 11.4018 8.76378 4.97045 10.838 8.30845 10.0456 13.3504 numMergedOcc 0
20 mol 100 unq 3 iso 0 dist 5.70279 9.53223 9.30209 10.838 8.30845 6.70236 11.4018 8.76378 10.7791 13.3504 numMergedOcc 0
21 mol 100 unq 3 iso 1 dist 5.70279 9.53223 9.30209 11.4018 8.76378 10.7791 10.838 8.30845 6.70236 13.3504 numMergedOcc 0
22 mol 113 unq 0 iso 0 dist 9.08014 7.41343 5.86073 10.3234 8.8822 10.1816 9.4626 9.66219 8.42718 4.09459 numMergedOcc 0
23 mol 113 unq 0 iso 1 dist 9.08014 7.41343 5.86073 9.4626 9.66219 8.42718 10.3234 8.8822 10.1816 4.09459 numMergedOcc 0
24 mol 119 unq 0 iso 0 dist 8.62648 4.6251 8.73993 9.25614 6.52773 7.20179 5.53673 9.23858 9.89358 12.3703 numMergedOcc 0
25 mol 119 unq 0 iso 1 dist 8.62648 4.6251 8.73993 5.53673 9.23858 9.89358 9.25614 6.52773 7.20179 12.3703 numMergedOcc 0
26 mol 125 unq 0 iso 0 dist 6.03557 5.14495 8.62381 6.46489 7.73435 7.43922 8.27647 9.3778 11.0769 4.38093 numMergedOcc 0
27 mol 125 unq 0 iso 1 dist 6.03557 5.14495 8.62381 8.27647 9.3778 11.0769 6.46489 7.73435 7.43922 4.38093 numMergedOcc 0
28 mol 129 unq 0 iso 0 dist 6.23966 5.16275 9.61051 6.47522 6.28565 6.30169 5.85167 7.58957 5.68211 7.91034 numMergedOcc 0
29 mol 129 unq 0 iso 1 dist 6.23966 5.16275 9.61051 5.85167 7.58957 5.68211 6.47522 6.28565 6.30169 7.91034 numMergedOcc 0
30 mol 129 unq 1 iso 0 dist 6.23966 6.65856 5.83384 6.47522 6.28565 4.55551 5.85167 7.58957 10.5488 7.91034 numMergedOcc 0
31 mol 129 unq 1 iso 1 dist 6.23966 6.65856 5.83384 5.85167 7.58957 10.5488 6.47522 6.28565 4.55551 7.91034 numMergedOcc 0
32 mol 131 unq 0 iso 0 dist 8.99949 11.3502 6.85062 10.5805 8.70296 14.2045 8.98062 9.25558 5.09131 14.5627 numMergedOcc 0
33 mol 131 unq 0 iso 1 dist 8.99949 11.3502 6.85062 8.98062 9.25558 5.09131 10.5805 8.70296 14.2045 14.5627 numMergedOcc 0
34 mol 156 unq 0 iso 0 dist 9.19499 5.66289 7.44554 5.02458 9.44367 5.4555 15.8724 9.47433 11.9952 16.7026 numMergedOcc 0
35 mol 156 unq 0 iso 1 dist 9.19499 5.66289 7.44554 15.8724 9.47433 11.9952 5.02458 9.44367 5.4555 16.7026 numMergedOcc 0
36 mol 222 unq 0 iso 0 dist 5.47561 10.6375 8.01589 10.3328 7.67576 10.3151 15.0445 9.82371 8.52017 11.3283 numMergedOcc 0
37 mol 222 unq 0 iso 1 dist 5.47561 10.6375 8.01589 15.0445 9.82371 8.52017 10.3328 7.67576 10.3151 11.3283 numMergedOcc 0
38 mol 222 unq 1 iso 0 dist 5.47561 5.39098 7.7699 10.3328 7.67576 7.81022 15.0445 9.82371 15.7504 11.3283 numMergedOcc 0
39 mol 222 unq 1 iso 1 dist 5.47561 5.39098 7.7699 15.0445 9.82371 15.7504 10.3328 7.67576 7.81022 11.3283 numMergedOcc 0
40 mol 222 unq 2 iso 0 dist 5.47561 5.60111 7.21333 10.3328 7.67576 7.75656 15.0445 9.82371 16.0949 11.3283 numMergedOcc 0
41 mol 222 unq 2 iso 1 dist 5.47561 5.60111 7.21333 15.0445 9.82371 16.0949 10.3328 7.67576 7.75656 11.3283 numMergedOcc 0
