0 mol 54 unq 0 iso 0 dist 8.34361 5.97635 5.65405 6.76462 10.5929 6.83299 4.38047 5.01159 4.29856 6.14538 numMergedOcc 0
1 mol 59 unq 0 iso 0 dist 5.68841 7.7978 7.18948 6.8958 10.121 7.17396 12.9886 13.104 6.90592 8.08618 numMergedOcc 0
2 mol 59 unq 1 iso 0 dist 7.75769 9.55751 7.18948 5.85228 10.121 7.17396 13.0785 13.104 6.90592 8.08618 numMergedOcc 0
3 mol 64 unq 0 iso 0 dist 7.49861 8.99491 11.6779 4.96726 11.8671 9.67592 6.23138 6.11938 6.21578 9.97159 numMergedOcc 0
4 mol 64 unq 1 iso 0 dist 6.2165 8.99491 10.1207 4.96726 10.9973 9.67592 6.23138 4.43442 6.21578 9.97159 numMergedOcc 0
5 mol 98 unq 0 iso 0 dist 8.18252 4.50572 11.8887 6.88489 12.9146 5.08437 11.1541 17.0061 7.06961 6.7117 numMergedOcc 0
6 mol 98 unq 1 iso 0 dist 8.18252 4.50572 11.8887 9.82583 14.9393 6.10456 11.1541 17.0061 7.06961 4.47349 numMergedOcc 0
7 mol 131 unq 0 iso 0 dist 7.46875 7.81337 5.29825 11.4498 12.0117 6.85062 15.1282 18.1769 13.7237 9.90168 numMergedOcc 0
8 mol 181 unq 0 iso 0 dist 9.14877 9.84952 7.07865 4.3158 9.79901 7.81386 12.7332 10.5245 7.20191 9.39829 numMergedOcc 0
9 mol 181 unq 1 iso 0 dist 9.14877 9.84952 7.07865 12.9554 13.7928 7.63312 13.401 12.6646 5.63555 5.9176 numMergedOcc 0
10 mol 181 unq 2 iso 0 dist 9.14877 9.84952 7.07865 12.9554 13.7928 7.63312 12.7332 10.5245 7.20191 6.41453 numMergedOcc 0
11 mol 181 unq 3 iso 0 dist 8.18021 9.84952 13.9526 4.3158 11.2136 7.81386 12.7332 15.706 7.20191 9.39829 numMergedOcc 0
12 mol 181 unq 4 iso 0 dist 8.18021 9.84952 13.9526 12.9554 18.7611 7.63312 13.401 19.1248 5.63555 5.9176 numMergedOcc 0
13 mol 181 unq 5 iso 0 dist 8.18021 9.84952 13.9526 12.9554 18.7611 7.63312 12.7332 15.706 7.20191 6.41453 numMergedOcc 0
14 mol 229 unq 0 iso 0 dist 9.33775 8.6537 10.8091 8.65216 12.1289 8.22528 9.38362 5.52902 6.65022 8.66332 numMergedOcc 0
15 mol 232 unq 0 iso 0 dist 8.21479 9.29752 6.1648 9.60401 12.5644 8.27212 7.83422 8.15893 8.80479 9.05071 numMergedOcc 0
16 mol 238 unq 0 iso 0 dist 5.83646 9.94315 10.1036 12.521 13.6759 5.72887 20.4128 21.398 14.7883 9.24557 numMergedOcc 0
17 mol 241 unq 0 iso 0 dist 7.30582 8.40773 9.64766 6.72492 10.4415 7.4631 10.5164 9.36013 4.45049 7.89524 numMergedOcc 0
18 mol 258 unq 0 iso 0 dist 6.41167 5.73834 5.13233 6.48867 10.7821 6.60405 8.63176 9.76914 5.63675 7.21311 numMergedOcc 0
19 mol 259 unq 0 iso 0 dist 5.16838 5.90645 5.20592 10.4985 10.9903 8.13497 13.1095 13.4826 8.41846 7.98231 numMergedOcc 0
