0 mol 25 unq 0 iso 0 dist 8.88413 7.05148 5.30154 6.17631 12.9968 8.6653 9.87281 10.8648 5.64303 7.31767 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 8.88413 7.05148 5.30154 6.17631 12.9968 8.6653 7.63928 10.2779 5.82503 6.03987 numMergedOcc 0
2 mol 25 unq 2 iso 0 dist 8.88413 7.05148 5.30154 5.59268 7.17969 7.92503 10.5993 4.33106 6.11127 7.57578 numMergedOcc 0
3 mol 25 unq 3 iso 0 dist 9.87281 7.05148 5.64303 6.17631 7.31767 8.6653 7.63928 4.51512 5.82503 6.03987 numMergedOcc 0
4 mol 25 unq 4 iso 0 dist 9.87281 7.05148 5.64303 5.59268 12.4135 7.92503 10.5993 10.8603 6.11127 7.57578 numMergedOcc 0
5 mol 25 unq 5 iso 0 dist 9.87281 7.05148 5.64303 5.59268 12.4135 7.92503 8.88413 10.8648 5.30154 7.17969 numMergedOcc 0
6 mol 25 unq 6 iso 0 dist 7.63928 7.05148 5.82503 6.17631 6.03987 8.6653 9.87281 4.51512 5.64303 7.31767 numMergedOcc 0
7 mol 25 unq 7 iso 0 dist 7.63928 7.05148 5.82503 5.59268 11.6743 7.92503 10.5993 11.9355 6.11127 7.57578 numMergedOcc 0
8 mol 25 unq 8 iso 0 dist 7.63928 7.05148 5.82503 5.59268 11.6743 7.92503 8.88413 10.2779 5.30154 7.17969 numMergedOcc 0
9 mol 58 unq 0 iso 0 dist 6.36193 5.84625 9.95364 5.40367 6.62496 8.80614 9.01612 5.30792 10.2049 6.86465 numMergedOcc 0
10 mol 58 unq 1 iso 0 dist 6.36193 5.84625 9.95364 5.40367 6.62496 8.80614 4.88613 4.81926 5.49591 6.35756 numMergedOcc 0
11 mol 58 unq 2 iso 0 dist 4.88613 5.84625 5.49591 5.40367 6.35756 8.80614 9.01612 5.35073 10.2049 6.86465 numMergedOcc 0
12 mol 58 unq 3 iso 0 dist 4.88613 5.84625 5.49591 5.40367 6.35756 8.80614 6.36193 4.81926 9.95364 6.62496 numMergedOcc 0
13 mol 95 unq 0 iso 0 dist 8.69069 9.49995 6.71199 5.69671 11.659 9.49454 12.5791 14.3902 13.3662 9.03572 numMergedOcc 0
14 mol 95 unq 1 iso 0 dist 8.69069 9.49995 6.71199 5.69671 11.659 9.49454 13.9545 16.0292 12.0666 8.83255 numMergedOcc 0
15 mol 95 unq 2 iso 0 dist 8.69069 9.49995 6.71199 5.69671 11.659 9.49454 9.65047 15.3836 11.4333 8.03644 numMergedOcc 0
16 mol 95 unq 3 iso 0 dist 9.65047 9.49995 11.4333 5.69671 8.03644 9.49454 12.5791 16.6055 13.3662 9.03572 numMergedOcc 0
17 mol 95 unq 4 iso 0 dist 9.65047 9.49995 11.4333 5.69671 8.03644 9.49454 13.9545 13.8105 12.0666 8.83255 numMergedOcc 0
18 mol 119 unq 0 iso 0 dist 8.82535 9.34823 6.09547 5.3154 9.80193 6.73586 6.18763 4.72062 5.13589 6.18601 numMergedOcc 0
19 mol 119 unq 1 iso 0 dist 8.44385 9.34823 10.8661 5.3154 10.1813 6.73586 6.18763 10.9871 5.13589 6.18601 numMergedOcc 0
20 mol 119 unq 2 iso 0 dist 5.63005 9.34823 12.0175 5.3154 9.72413 6.73586 6.18763 9.93257 5.13589 6.18601 numMergedOcc 0
21 mol 133 unq 0 iso 0 dist 9.50322 6.72323 12.538 10.2385 13.268 6.16242 5.82404 8.18495 4.54648 6.29155 numMergedOcc 0
22 mol 133 unq 1 iso 0 dist 9.50322 6.72323 12.538 4.64588 12.6651 5.87634 5.82404 8.18495 4.54648 6.80239 numMergedOcc 0
23 mol 181 unq 0 iso 0 dist 9.58911 5.66363 11.85 9.47799 9.94371 8.90963 9.86845 6.01247 8.91338 9.1374 numMergedOcc 0
24 mol 181 unq 1 iso 0 dist 9.58911 5.66363 11.85 9.47799 9.94371 8.90963 13.0329 12.6324 9.81073 5.98885 numMergedOcc 0
25 mol 181 unq 2 iso 0 dist 9.58911 5.66363 11.85 9.47799 9.94371 8.90963 14.039 16.5106 9.34211 9.15386 numMergedOcc 0
26 mol 205 unq 0 iso 0 dist 6.752 7.23557 5.8535 4.2475 7.45763 4.8668 13.2057 11.8283 9.13652 9.61492 numMergedOcc 0
27 mol 205 unq 1 iso 0 dist 8.10287 8.86587 14.0496 6.8901 13.4269 4.8668 13.3164 14.7378 9.13652 9.61492 numMergedOcc 0
28 mol 205 unq 2 iso 0 dist 8.10287 8.86587 14.0496 6.8901 13.4269 4.8668 5.4913 9.33648 5.8535 7.45763 numMergedOcc 0
29 mol 205 unq 3 iso 0 dist 5.4913 8.86587 5.8535 6.8901 7.45763 4.8668 13.3164 11.8283 9.13652 9.61492 numMergedOcc 0
30 mol 222 unq 0 iso 0 dist 7.85877 5.89818 7.75656 4.82768 7.21333 7.67576 10.8522 13.3522 10.3151 8.01589 numMergedOcc 0
31 mol 222 unq 1 iso 0 dist 7.85877 5.89818 7.75656 4.82768 7.21333 7.67576 10.0664 5.24516 7.81022 7.7699 numMergedOcc 0
32 mol 222 unq 2 iso 0 dist 7.85877 9.32543 16.0949 4.82768 7.21333 9.82371 10.8522 13.3522 8.52017 8.01589 numMergedOcc 0
33 mol 222 unq 3 iso 0 dist 7.85877 9.32543 16.0949 4.82768 7.21333 9.82371 10.0664 5.24516 15.7504 7.7699 numMergedOcc 0
34 mol 232 unq 0 iso 0 dist 7.70279 7.83422 12.3508 9.60401 10.5803 9.05071 9.29752 6.56633 8.80479 8.27212 numMergedOcc 0
35 mol 264 unq 0 iso 0 dist 8.19504 9.3201 5.00209 3.93713 6.24356 7.16853 13.1873 10.3202 11.1431 9.361 numMergedOcc 0
36 mol 274 unq 0 iso 0 dist 6.55855 9.11072 6.16703 9.85454 11.3168 9.85289 12.6706 11.3308 6.20558 7.56915 numMergedOcc 0
37 mol 274 unq 1 iso 0 dist 6.55855 9.11072 6.16703 9.85454 11.3168 9.85289 16.6696 14.9562 11.4459 8.49997 numMergedOcc 0
38 mol 274 unq 2 iso 0 dist 9.52894 9.11072 6.40141 9.85454 15.1014 9.85289 12.6706 12.384 6.20558 7.56915 numMergedOcc 0
39 mol 274 unq 3 iso 0 dist 9.52894 9.11072 6.40141 9.85454 15.1014 9.85289 16.6696 17.8404 11.4459 8.49997 numMergedOcc 0
40 mol 274 unq 4 iso 0 dist 9.71801 9.02071 6.20558 5.9882 7.56915 9.85289 13.4994 6.33073 11.4459 8.49997 numMergedOcc 0
