0 mol 76 unq 0 iso 0 dist 9.4022 7.81334 4.28388 7.08972 8.8247 4.66377 12.3287 7.30786 5.00699 6.98862 numMergedOcc 0
1 mol 79 unq 0 iso 0 dist 7.74131 5.69384 6.32618 6.05149 11.1999 6.07578 8.71103 9.0655 3.51719 7.41952 numMergedOcc 0
2 mol 103 unq 0 iso 0 dist 9.57953 9.7171 5.74649 4.36597 8.1375 9.39702 6.67575 5.42278 8.20815 7.57822 numMergedOcc 0
3 mol 112 unq 0 iso 0 dist 7.84249 7.98999 13.6459 14.3349 20.554 7.35503 15.8105 20.7053 7.99528 7.02969 numMergedOcc 0
4 mol 112 unq 1 iso 0 dist 7.84249 7.98999 13.6459 15.4161 22.2177 8.79543 15.8105 20.7053 7.99528 7.02265 numMergedOcc 0
5 mol 112 unq 2 iso 0 dist 7.84249 7.98999 13.6459 9.87475 16.1307 6.48223 15.8105 20.7053 7.99528 9.42175 numMergedOcc 0
6 mol 130 unq 0 iso 0 dist 8.80041 7.62584 7.19014 5.11455 9.92685 4.85559 10.2168 6.40926 4.79695 7.9663 numMergedOcc 0
7 mol 130 unq 1 iso 0 dist 8.80041 7.62584 7.19014 10.0429 11.6055 6.87562 10.2168 6.40926 4.79695 6.54338 numMergedOcc 0
8 mol 130 unq 2 iso 0 dist 8.80041 7.62584 7.19014 10.0429 11.6055 6.87562 10.0676 4.72274 8.11667 9.39135 numMergedOcc 0
9 mol 163 unq 0 iso 0 dist 7.7264 9.3832 15.0568 17.2409 20.6729 9.29539 14.9105 15.1682 10.8136 9.85967 numMergedOcc 0
10 mol 163 unq 1 iso 0 dist 7.5447 6.0247 3.64474 8.52732 8.66172 9.29539 14.7912 10.2273 10.8136 9.85967 numMergedOcc 0
11 mol 171 unq 0 iso 0 dist 8.59783 7.68295 5.31547 5.24208 6.20851 6.81707 10.111 14.0871 10.6959 9.47945 numMergedOcc 0
12 mol 183 unq 0 iso 0 dist 8.68085 8.84125 9.57514 4.0252 10.8849 6.76315 7.38821 4.84477 4.76844 7.69421 numMergedOcc 0
13 mol 183 unq 1 iso 0 dist 8.15747 8.23616 9.81254 5.66126 12.4307 6.76315 10.6152 12.7569 4.76844 7.69421 numMergedOcc 0
14 mol 183 unq 2 iso 0 dist 8.74903 8.23616 9.58361 5.66126 12.1873 6.76315 10.6152 11.1179 4.76844 7.69421 numMergedOcc 0
15 mol 218 unq 0 iso 0 dist 8.61427 5.72444 6.57626 5.7173 13.3613 8.23919 6.2441 6.86057 5.18278 8.44004 numMergedOcc 0
16 mol 251 unq 0 iso 0 dist 8.89433 8.38382 9.21735 6.58237 10.2242 5.0953 10.8011 12.1353 4.20853 8.65339 numMergedOcc 0
17 mol 285 unq 0 iso 0 dist 8.12306 6.89391 13.3596 9.97666 17.9599 7.06878 17.2934 24.8153 11.6511 8.63954 numMergedOcc 0
18 mol 285 unq 1 iso 0 dist 8.12306 6.89391 13.3596 9.97666 17.9599 7.06878 12.3495 19.5908 6.93502 4.74716 numMergedOcc 0
