0 mol 7 unq 0 iso 0 dist 8.80895 6.64176 4.60206 8.44333 3.52338 3.54153 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.00876 6.64176 4.05107 8.44333 6.15362 3.54153 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 5.51158 7.90324 4.04528 8.63439 4.10415 5.54542 numMergedOcc 0
3 mol 26 unq 1 iso 0 dist 8.13182 7.90324 4.75209 8.63439 3.21805 5.54542 numMergedOcc 0
4 mol 46 unq 0 iso 0 dist 7.19406 6.35731 6.70122 7.12713 9.83606 3.57198 numMergedOcc 0
5 mol 53 unq 0 iso 0 dist 7.6912 6.81867 5.56387 7.03969 3.43614 5.80365 numMergedOcc 0
6 mol 65 unq 0 iso 0 dist 7.62028 8.70783 6.59475 9.42411 9.27421 13.2346 numMergedOcc 0
7 mol 65 unq 1 iso 0 dist 7.62028 9.20162 13.4516 9.42411 9.27421 12.8148 numMergedOcc 0
8 mol 65 unq 2 iso 0 dist 9.61118 8.70783 15.7536 9.42411 9.72356 13.2346 numMergedOcc 0
9 mol 65 unq 3 iso 0 dist 9.61118 9.20162 8.53806 9.42411 9.72356 12.8148 numMergedOcc 0
10 mol 65 unq 4 iso 0 dist 8.72097 8.70783 12.9305 9.42411 13.0357 13.2346 numMergedOcc 0
11 mol 65 unq 5 iso 0 dist 8.72097 9.20162 4.01708 9.42411 13.0357 12.8148 numMergedOcc 0
12 mol 79 unq 0 iso 0 dist 7.18358 7.54919 4.22631 6.29801 5.73969 5.88927 numMergedOcc 0
13 mol 98 unq 0 iso 0 dist 4.3761 9.66226 11.2155 5.61418 9.39313 13.4478 numMergedOcc 0
14 mol 98 unq 1 iso 0 dist 5.84583 9.66226 9.51607 5.61418 6.66668 13.4478 numMergedOcc 0
15 mol 103 unq 0 iso 0 dist 8.8763 6.37224 4.1431 7.91691 13.4361 9.33661 numMergedOcc 0
16 mol 113 unq 0 iso 0 dist 9.04398 5.7085 9.59657 6.38269 8.81921 6.29259 numMergedOcc 0
17 mol 113 unq 1 iso 0 dist 9.04398 5.7085 9.59657 7.11196 6.384 7.08122 numMergedOcc 0
18 mol 114 unq 0 iso 0 dist 6.8456 7.27601 3.88006 8.18356 5.40104 3.67473 numMergedOcc 0
19 mol 168 unq 0 iso 0 dist 8.80094 8.80059 16.5533 8.47439 15.207 3.73181 numMergedOcc 0
20 mol 168 unq 1 iso 0 dist 9.03681 8.80059 9.91815 8.47439 10.3454 3.73181 numMergedOcc 0
21 mol 171 unq 0 iso 0 dist 7.7195 8.53734 4.98945 6.80203 11.244 8.77204 numMergedOcc 0
22 mol 171 unq 1 iso 0 dist 9.43988 8.53734 13.7258 6.80203 5.58661 8.77204 numMergedOcc 0
23 mol 171 unq 2 iso 0 dist 8.30819 6.08141 4.98945 8.00826 11.244 8.77204 numMergedOcc 0
24 mol 186 unq 0 iso 0 dist 9.75853 8.96031 13.9566 7.82717 3.42324 14.0517 numMergedOcc 0
25 mol 186 unq 1 iso 0 dist 9.75853 8.96031 13.9566 8.19926 8.26669 16.0263 numMergedOcc 0
26 mol 186 unq 2 iso 0 dist 9.75853 8.96031 13.9566 9.02402 14.845 4.4787 numMergedOcc 0
27 mol 225 unq 0 iso 0 dist 9.60654 8.65088 7.43844 7.22151 3.90226 3.87855 numMergedOcc 0
28 mol 225 unq 1 iso 0 dist 7.11262 8.65088 4.32093 7.22151 6.59432 3.87855 numMergedOcc 0
29 mol 260 unq 0 iso 0 dist 8.79012 7.23618 7.55193 7.13397 3.48905 4.07425 numMergedOcc 0
30 mol 260 unq 1 iso 0 dist 8.79012 7.23618 7.55193 5.33278 8.84611 9.36278 numMergedOcc 0
31 mol 272 unq 0 iso 0 dist 6.20857 9.88921 14.5298 7.08918 8.90381 6.85669 numMergedOcc 0
32 mol 292 unq 0 iso 0 dist 6.84909 5.54272 6.08322 7.61675 8.93255 3.60378 numMergedOcc 0
