0 mol 16 unq 0 iso 0 dist 6.75381 5.50193 4.7319 12.5399 6.86055 7.65889 15.1009 11.0958 10.2656 6.42835 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 6.34277 5.55893 5.04899 12.2699 13.6145 9.49421 10.0986 11.9561 10.9391 9.48085 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 9.40763 6.7276 5.04899 13.1101 13.6145 9.49421 14.2675 11.9561 10.9391 9.48085 numMergedOcc 0
3 mol 88 unq 0 iso 0 dist 8.71603 9.86323 9.36773 15.5467 12.1193 7.80898 21.4255 16.8013 12.1547 7.51139 numMergedOcc 0
4 mol 95 unq 0 iso 0 dist 6.5136 11.085 8.03644 17.2266 15.6249 8.27883 10.4786 11.3446 6.59884 7.7152 numMergedOcc 0
5 mol 117 unq 0 iso 0 dist 8.98848 10.0436 7.83136 8.15473 3.55765 8.19331 6.81312 7.0603 7.21564 8.85711 numMergedOcc 0
6 mol 117 unq 1 iso 0 dist 8.98848 6.81312 7.0603 8.15473 3.55765 8.85711 10.0436 7.83136 7.21564 8.19331 numMergedOcc 0
7 mol 134 unq 0 iso 0 dist 8.5778 13.5276 6.49416 16.7168 12.3479 9.33094 19.8541 12.5075 6.81259 8.69531 numMergedOcc 0
8 mol 142 unq 0 iso 0 dist 6.91573 12.444 9.2313 9.64785 4.67662 7.81207 7.18287 5.31024 5.32922 6.14151 numMergedOcc 0
9 mol 142 unq 1 iso 0 dist 6.91573 7.18287 5.31024 9.64785 4.67662 6.14151 12.444 9.2313 5.32922 7.81207 numMergedOcc 0
10 mol 170 unq 0 iso 0 dist 7.47249 6.8201 9.76807 10.3668 4.78249 9.51256 14.2629 12.8281 8.56034 9.08274 numMergedOcc 0
11 mol 186 unq 0 iso 0 dist 8.58465 6.37463 7.54065 12.9635 11.0961 6.61112 10.1918 14.4482 7.09479 8.90571 numMergedOcc 0
12 mol 229 unq 0 iso 0 dist 9.67544 6.23286 9.87838 9.69367 4.61227 6.95201 12.61 11.6115 7.0298 7.27993 numMergedOcc 0
13 mol 229 unq 1 iso 0 dist 9.67544 6.23286 9.87838 9.69367 4.61227 6.95201 12.7466 13.9028 6.54885 9.51168 numMergedOcc 0
14 mol 234 unq 0 iso 0 dist 9.5181 4.94699 6.7625 11.3427 5.75498 7.81215 12.5331 10.701 10.2693 5.64285 numMergedOcc 0
15 mol 238 unq 0 iso 0 dist 9.09166 9.48707 7.31233 15.4211 10.3162 9.12776 23.4286 19.5656 15.7907 9.72188 numMergedOcc 0
16 mol 239 unq 0 iso 0 dist 9.73858 7.43079 6.16342 13.8157 10.6736 6.73665 15.9224 16.5158 11.347 9.34438 numMergedOcc 0
17 mol 239 unq 1 iso 0 dist 9.73858 7.43079 6.16342 13.8157 10.6736 6.73665 9.48763 13.7154 7.97994 9.35949 numMergedOcc 0
18 mol 259 unq 0 iso 0 dist 8.70852 5.07898 7.84554 6.93417 5.8801 7.66153 9.13047 9.95973 4.69778 9.07743 numMergedOcc 0
19 mol 259 unq 1 iso 0 dist 9.89728 5.07898 7.46176 6.93417 11.8896 7.66153 9.13047 10.3935 4.69778 9.07743 numMergedOcc 0
20 mol 259 unq 2 iso 0 dist 6.42437 5.07898 9.18903 6.93417 5.81576 7.66153 9.13047 12.6839 4.69778 9.07743 numMergedOcc 0
21 mol 264 unq 0 iso 0 dist 9.82685 4.33194 9.17653 12.2745 10.7813 8.29262 7.01087 13.4025 4.92077 9.19754 numMergedOcc 0
