0 mol 45 unq 0 iso 0 dist 7.2846 6.34173 4.71384 9.33906 6.42339 6.00679 5.24762 6.43774 7.06308 11.5679 9.44459 5.73693 5.94047 10.7651 6.06454 numMergedOcc 0
1 mol 45 unq 1 iso 0 dist 7.58835 6.34173 5.67689 9.33906 5.1274 6.00679 5.24762 11.2563 7.06308 11.5679 9.44459 11.6164 5.94047 10.7651 6.06454 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 7.32874 6.40841 6.75888 8.69057 5.61579 11.0945 11.0466 13.4544 7.58407 18.0198 16.5117 15.935 10.8775 21.2886 7.27383 numMergedOcc 0
3 mol 58 unq 1 iso 0 dist 6.35756 8.89374 6.47744 8.96727 9.87158 14.6599 8.62958 10.3224 6.46761 14.4498 10.9864 10.4524 9.17656 11.5843 7.27383 numMergedOcc 0
4 mol 58 unq 2 iso 0 dist 6.35756 8.89374 6.47744 8.01308 5.86526 9.47022 8.62958 10.3224 6.46761 10.6166 10.9864 10.4524 9.17656 7.05093 7.27383 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 9.38498 8.70133 13.4082 9.73086 17.4121 6.15714 5.4148 10.2049 4.65521 7.4369 7.04044 15.7304 11.2505 7.8972 8.73253 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 9.96396 8.70133 7.41074 9.73086 5.70116 6.15714 5.4148 6.19304 4.65521 7.4369 7.04044 8.26458 11.2505 7.8972 8.73253 numMergedOcc 0
7 mol 73 unq 2 iso 0 dist 6.19304 4.65521 7.41074 8.68662 6.20232 6.10063 5.4148 9.96396 8.70133 12.2276 8.73253 8.26458 11.2505 10.9746 7.04044 numMergedOcc 0
8 mol 73 unq 3 iso 0 dist 6.19304 4.65521 7.41074 7.4369 5.70116 6.15714 5.4148 9.96396 8.70133 9.73086 8.73253 8.26458 11.2505 7.8972 7.04044 numMergedOcc 0
9 mol 73 unq 4 iso 0 dist 9.75218 8.70133 15.9882 9.73086 14.844 6.15714 5.4148 11.6369 4.65521 7.4369 7.04044 8.35241 11.2505 7.8972 8.73253 numMergedOcc 0
10 mol 109 unq 0 iso 0 dist 8.69985 5.87358 9.46098 7.07971 4.69373 5.15674 4.98336 13.4572 9.20981 11.8087 5.34214 9.14441 5.94311 6.8409 7.55384 numMergedOcc 0
11 mol 115 unq 0 iso 0 dist 9.33865 9.66954 6.09023 6.39384 6.63111 6.49835 7.69052 5.83991 8.66155 9.42082 10.9734 6.4497 5.87507 10.5109 5.72642 numMergedOcc 0
12 mol 115 unq 1 iso 0 dist 6.11741 9.66954 4.61908 6.39384 6.07067 6.49835 7.69052 7.88312 8.66155 9.42082 10.9734 7.3094 5.87507 10.5109 5.72642 numMergedOcc 0
13 mol 134 unq 0 iso 0 dist 8.94367 8.79571 5.41704 7.21868 8.06642 5.67107 8.80819 6.49416 8.6355 11.988 13.9396 8.46636 11.9544 15.9889 5.53031 numMergedOcc 0
14 mol 134 unq 1 iso 0 dist 6.37586 5.42582 5.41704 9.33924 6.95573 6.0991 5.49782 8.94367 8.79571 13.9752 10.873 9.4027 9.65798 14.6016 8.20836 numMergedOcc 0
15 mol 134 unq 2 iso 0 dist 6.37586 5.42582 5.41704 9.33924 6.95573 6.0991 5.00817 6.49416 8.6355 9.55584 10.1537 8.46636 11.9544 9.91833 5.53031 numMergedOcc 0
16 mol 134 unq 3 iso 0 dist 6.37586 5.42582 5.41704 7.93372 8.06642 5.67107 5.49782 8.94367 8.79571 7.21868 10.873 9.4027 9.65798 4.935 8.20836 numMergedOcc 0
17 mol 134 unq 4 iso 0 dist 6.37586 5.42582 5.41704 7.93372 8.06642 5.67107 5.00817 6.49416 8.6355 11.988 10.1537 8.46636 11.9544 15.9889 5.53031 numMergedOcc 0
18 mol 134 unq 5 iso 0 dist 9.86662 8.79571 6.17103 7.21868 4.00092 5.67107 8.80819 12.5075 8.6355 11.988 13.9396 15.2647 11.9544 15.9889 5.53031 numMergedOcc 0
19 mol 134 unq 6 iso 0 dist 9.71307 5.42582 6.17103 9.33924 10.2026 6.0991 5.49782 9.86662 8.79571 13.9752 10.873 5.12325 9.65798 14.6016 8.20836 numMergedOcc 0
20 mol 134 unq 7 iso 0 dist 9.71307 5.42582 6.17103 9.33924 10.2026 6.0991 5.00817 12.5075 8.6355 9.55584 10.1537 15.2647 11.9544 9.91833 5.53031 numMergedOcc 0
21 mol 134 unq 8 iso 0 dist 9.71307 5.42582 6.17103 7.93372 4.00092 5.67107 5.49782 9.86662 8.79571 7.21868 10.873 5.12325 9.65798 4.935 8.20836 numMergedOcc 0
22 mol 134 unq 9 iso 0 dist 9.71307 5.42582 6.17103 7.93372 4.00092 5.67107 5.00817 12.5075 8.6355 11.988 10.1537 15.2647 11.9544 15.9889 5.53031 numMergedOcc 0
23 mol 142 unq 0 iso 0 dist 5.31024 9.07935 9.49653 6.14151 4.67662 5.26247 5.32922 9.2313 7.15475 7.81207 12.432 12.6057 5.14959 9.38687 9.17106 numMergedOcc 0
24 mol 142 unq 1 iso 0 dist 7.26382 9.07935 7.53854 6.14151 5.81599 5.26247 5.32922 7.73169 7.15475 7.81207 12.432 8.38032 5.14959 9.38687 9.17106 numMergedOcc 0
25 mol 227 unq 0 iso 0 dist 7.22101 8.17891 6.43754 5.23634 5.0317 4.09934 5.22356 8.65997 6.95902 6.91318 8.38865 11.0628 5.92529 7.3164 5.4694 numMergedOcc 0
26 mol 227 unq 1 iso 0 dist 8.65997 6.95902 6.43754 6.91318 5.0317 4.09934 5.22356 7.22101 8.17891 5.23634 5.4694 11.0628 5.92529 7.3164 8.38865 numMergedOcc 0
27 mol 227 unq 2 iso 0 dist 7.09863 8.17891 9.13836 5.23634 5.83175 4.09934 5.22356 10.8157 6.95902 6.91318 8.38865 12.9587 5.92529 7.3164 5.4694 numMergedOcc 0
28 mol 234 unq 0 iso 0 dist 9.45496 7.85175 11.216 7.81215 12.4252 10.5304 5.88703 6.56247 6.25105 11.6391 7.5366 5.63086 13.0974 11.0592 8.24186 numMergedOcc 0
29 mol 234 unq 1 iso 0 dist 6.7625 7.85175 11.4315 7.81215 5.75498 10.5304 5.88703 9.36357 6.25105 11.6391 7.5366 5.6819 13.0974 11.0592 8.24186 numMergedOcc 0
30 mol 238 unq 0 iso 0 dist 5.72887 9.29858 13.069 9.72188 7.06793 11.7938 10.1648 12.8711 9.68513 11.1002 7.32982 12.3808 6.48619 13.0611 6.4398 numMergedOcc 0
31 mol 276 unq 0 iso 0 dist 9.8993 8.76347 7.54851 8.6759 9.39944 13.5196 8.88126 10.1216 9.38971 14.4279 10.0283 11.3758 5.86074 16.9605 6.70215 numMergedOcc 0
32 mol 276 unq 1 iso 0 dist 9.8993 8.76347 7.54851 8.6759 9.39944 13.5196 5.50479 13.1345 8.71541 14.151 10.0283 11.3758 5.86074 16.9605 7.23916 numMergedOcc 0
33 mol 276 unq 2 iso 0 dist 6.87396 8.76347 6.4102 8.6759 8.26321 13.5196 8.88126 12.3012 9.38971 14.4279 10.0283 11.3441 5.86074 16.9605 6.70215 numMergedOcc 0
34 mol 276 unq 3 iso 0 dist 6.87396 8.76347 6.4102 8.6759 8.26321 13.5196 5.50479 10.1395 8.71541 14.151 10.0283 11.3441 5.86074 16.9605 7.23916 numMergedOcc 0
