0 mol 43 unq 0 iso 0 dist 5.73819 6.75943 4.96926 5.48048 8.44903 7.15901 5.07458 6.66407 8.34145 4.69849 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 5.73819 6.66407 5.07458 5.64171 8.60739 7.24352 11.4153 13.8936 9.50614 8.41793 numMergedOcc 0
2 mol 43 unq 2 iso 0 dist 5.73819 6.66407 5.07458 5.64171 8.60739 7.24352 4.96926 6.75943 8.34145 4.55347 numMergedOcc 0
3 mol 43 unq 3 iso 0 dist 8.80331 6.6263 5.41726 7.05402 10.0649 7.15901 10.8828 10.0168 8.34145 4.69849 numMergedOcc 0
4 mol 43 unq 4 iso 0 dist 6.20293 6.75943 5.41726 5.48048 10.0649 7.15901 5.07458 10.0168 8.34145 4.69849 numMergedOcc 0
5 mol 43 unq 5 iso 0 dist 8.93915 6.75943 10.0383 5.48048 13.5072 7.15901 5.07458 10.9975 8.34145 4.69849 numMergedOcc 0
6 mol 56 unq 0 iso 0 dist 8.66265 9.03564 6.75591 10.1082 12.6652 7.06146 9.96534 13.2483 8.77529 8.97695 numMergedOcc 0
7 mol 92 unq 0 iso 0 dist 9.64443 9.36001 5.31547 7.24315 6.61823 6.98037 6.77937 12.8197 9.99441 8.11408 numMergedOcc 0
8 mol 95 unq 0 iso 0 dist 7.27724 9.3948 3.94537 14.484 9.7126 7.27506 13.086 10.3995 8.75345 4.21171 numMergedOcc 0
9 mol 95 unq 1 iso 0 dist 8.03644 9.3948 11.3215 14.484 18.067 7.27506 13.086 18.3711 8.75345 4.21171 numMergedOcc 0
10 mol 134 unq 0 iso 0 dist 8.94367 9.33094 7.41373 9.4027 8.20836 5.11043 8.06642 7.21868 8.62504 4.935 numMergedOcc 0
11 mol 134 unq 1 iso 0 dist 6.37586 9.33094 10.8635 9.4027 10.873 5.11043 8.06642 7.93372 8.62504 4.935 numMergedOcc 0
12 mol 134 unq 2 iso 0 dist 6.49416 9.33094 12.3479 9.4027 13.846 5.11043 8.06642 11.988 8.62504 4.935 numMergedOcc 0
13 mol 134 unq 3 iso 0 dist 9.86662 8.69531 7.41373 5.12325 8.20836 5.11043 4.00092 7.21868 8.62504 4.935 numMergedOcc 0
14 mol 134 unq 4 iso 0 dist 9.71307 8.69531 10.8635 5.12325 10.873 5.11043 4.00092 7.93372 8.62504 4.935 numMergedOcc 0
15 mol 143 unq 0 iso 0 dist 5.99315 5.40637 7.39837 10.8441 13.4668 8.68663 4.78563 5.37047 9.29944 15.2605 numMergedOcc 0
16 mol 143 unq 1 iso 0 dist 5.99315 5.37047 4.78563 9.23795 7.25673 8.612 7.39837 5.40637 9.29944 6.78032 numMergedOcc 0
17 mol 170 unq 0 iso 0 dist 9.76807 9.51256 4.78249 7.72147 8.15099 5.13268 5.7304 10.7199 8.75024 8.5768 numMergedOcc 0
18 mol 178 unq 0 iso 0 dist 6.69288 7.06025 6.42973 10.1489 4.92088 8.25282 10.8974 9.79683 7.86352 7.323 numMergedOcc 0
19 mol 227 unq 0 iso 0 dist 7.22101 5.23634 5.0317 10.5813 8.03442 9.43618 4.664 11.595 8.85955 14.9695 numMergedOcc 0
20 mol 227 unq 1 iso 0 dist 7.22101 5.23634 5.0317 10.5813 8.03442 9.43618 4.1511 9.91384 6.09335 11.2819 numMergedOcc 0
21 mol 227 unq 2 iso 0 dist 8.65997 6.91318 5.0317 7.22396 8.03442 9.43618 8.49509 11.595 8.85955 14.9695 numMergedOcc 0
22 mol 227 unq 3 iso 0 dist 8.65997 6.91318 5.0317 7.22396 8.03442 9.43618 4.69247 9.91384 6.09335 11.2819 numMergedOcc 0
23 mol 227 unq 4 iso 0 dist 7.09863 5.23634 5.83175 10.5813 12.2278 9.43618 4.664 10.1802 8.85955 14.9695 numMergedOcc 0
24 mol 227 unq 5 iso 0 dist 7.09863 5.23634 5.83175 10.5813 12.2278 9.43618 4.1511 10.3016 6.09335 11.2819 numMergedOcc 0
25 mol 238 unq 0 iso 0 dist 5.72887 9.72188 7.06793 10.7551 11.2809 6.53286 10.4706 8.923 4.66186 8.5378 numMergedOcc 0
26 mol 238 unq 1 iso 0 dist 7.31233 9.12776 10.3162 11.0349 11.9624 6.53286 5.71717 10.1172 4.66186 8.5378 numMergedOcc 0
27 mol 264 unq 0 iso 0 dist 9.17653 8.29262 10.7813 9.37297 15.2775 6.02757 13.2035 19.5824 9.78237 7.36132 numMergedOcc 0
