0 mol 45 unq 0 iso 0 dist 7.06308 6.06454 5.94047 5.24762 6.34173 9.44459 11.5679 6.00679 10.7651 9.33906 numMergedOcc 0
1 mol 58 unq 0 iso 0 dist 6.46761 7.27383 9.17656 8.62958 8.89374 10.9864 14.4498 14.6599 11.5843 8.96727 numMergedOcc 0
2 mol 58 unq 1 iso 0 dist 6.46761 7.27383 9.17656 8.62958 8.89374 10.9864 10.6166 9.47022 7.05093 8.01308 numMergedOcc 0
3 mol 58 unq 2 iso 0 dist 7.58407 7.27383 10.8775 11.0466 6.40841 16.5117 18.0198 11.0945 21.2886 8.69057 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 8.70133 7.04044 11.2505 5.4148 4.65521 8.73253 12.2276 6.10063 10.9746 8.68662 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 8.70133 7.04044 11.2505 5.4148 4.65521 8.73253 9.73086 6.15714 7.8972 7.4369 numMergedOcc 0
6 mol 73 unq 2 iso 0 dist 4.65521 8.73253 11.2505 5.4148 8.70133 7.04044 7.4369 6.15714 7.8972 9.73086 numMergedOcc 0
7 mol 76 unq 0 iso 0 dist 8.19682 4.79949 8.83525 10.2879 6.21982 13.187 9.85905 4.00608 11.0792 6.72869 numMergedOcc 0
8 mol 76 unq 1 iso 0 dist 8.19682 7.27693 5.77727 10.2879 6.21982 11.2278 9.85905 4.00608 6.48293 6.72869 numMergedOcc 0
9 mol 109 unq 0 iso 0 dist 9.20981 7.55384 5.94311 4.98336 5.87358 5.34214 11.8087 5.15674 6.8409 7.07971 numMergedOcc 0
10 mol 115 unq 0 iso 0 dist 8.66155 5.72642 5.87507 7.69052 9.66954 10.9734 9.42082 6.49835 10.5109 6.39384 numMergedOcc 0
11 mol 134 unq 0 iso 0 dist 8.79571 8.20836 9.65798 5.49782 5.42582 10.873 13.9752 6.0991 14.6016 9.33924 numMergedOcc 0
12 mol 134 unq 1 iso 0 dist 8.79571 8.20836 9.65798 5.49782 5.42582 10.873 7.21868 5.67107 4.935 7.93372 numMergedOcc 0
13 mol 134 unq 2 iso 0 dist 8.6355 5.53031 11.9544 8.80819 8.79571 13.9396 11.988 5.67107 15.9889 7.21868 numMergedOcc 0
14 mol 134 unq 3 iso 0 dist 8.6355 5.53031 11.9544 5.00817 5.42582 10.1537 9.55584 6.0991 9.91833 9.33924 numMergedOcc 0
15 mol 134 unq 4 iso 0 dist 8.6355 5.53031 11.9544 5.00817 5.42582 10.1537 11.988 5.67107 15.9889 7.93372 numMergedOcc 0
16 mol 142 unq 0 iso 0 dist 7.15475 9.17106 5.14959 5.32922 9.07935 12.432 7.81207 5.26247 9.38687 6.14151 numMergedOcc 0
17 mol 227 unq 0 iso 0 dist 8.17891 8.38865 5.92529 5.22356 6.95902 5.4694 5.23634 4.09934 7.3164 6.91318 numMergedOcc 0
18 mol 227 unq 1 iso 0 dist 6.95902 5.4694 5.92529 5.22356 8.17891 8.38865 6.91318 4.09934 7.3164 5.23634 numMergedOcc 0
19 mol 234 unq 0 iso 0 dist 6.25105 8.24186 13.0974 5.88703 7.85175 7.5366 11.6391 10.5304 11.0592 7.81215 numMergedOcc 0
20 mol 238 unq 0 iso 0 dist 9.68513 6.4398 6.48619 10.1648 9.29858 7.32982 11.1002 11.7938 13.0611 9.72188 numMergedOcc 0
21 mol 238 unq 1 iso 0 dist 9.29858 7.32982 6.48619 10.1648 9.68513 6.4398 12.7605 5.99163 6.22195 8.82351 numMergedOcc 0
22 mol 238 unq 2 iso 0 dist 9.90142 6.66971 5.8333 5.40359 5.9216 6.4398 11.1059 4.40419 6.22195 8.82351 numMergedOcc 0
23 mol 276 unq 0 iso 0 dist 9.38971 6.70215 5.86074 8.88126 8.76347 10.0283 14.4279 13.5196 16.9605 8.6759 numMergedOcc 0
24 mol 276 unq 1 iso 0 dist 8.71541 7.23916 5.86074 5.50479 8.76347 10.0283 14.151 13.5196 16.9605 8.6759 numMergedOcc 0
