0 mol 45 unq 0 iso 0 dist 6.34173 9.44459 5.94047 9.33906 6.00679 10.7651 5.24762 7.06308 6.06454 11.5679 numMergedOcc 0
1 mol 45 unq 1 iso 0 dist 6.34173 9.44459 5.94047 9.33906 6.00679 10.7651 5.101 9.43442 10.3991 13.9885 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 8.70133 7.04044 11.2505 9.73086 6.15714 7.8972 7.4697 5.64598 13.1821 10.9476 numMergedOcc 0
3 mol 73 unq 1 iso 0 dist 8.70133 7.04044 11.2505 9.73086 6.15714 7.8972 5.4148 4.65521 8.73253 7.4369 numMergedOcc 0
4 mol 73 unq 2 iso 0 dist 4.65521 8.73253 11.2505 8.68662 6.10063 10.9746 5.4148 8.70133 7.04044 12.2276 numMergedOcc 0
5 mol 73 unq 3 iso 0 dist 4.65521 8.73253 11.2505 8.68662 6.10063 10.9746 5.7113 5.64598 13.1821 11.6739 numMergedOcc 0
6 mol 73 unq 4 iso 0 dist 4.65521 8.73253 11.2505 7.4369 6.15714 7.8972 5.4148 8.70133 7.04044 9.73086 numMergedOcc 0
7 mol 73 unq 5 iso 0 dist 4.65521 8.73253 11.2505 7.4369 6.15714 7.8972 5.7113 5.64598 13.1821 10.9476 numMergedOcc 0
8 mol 76 unq 0 iso 0 dist 8.19682 4.79949 8.83525 9.85905 4.00608 11.0792 10.2879 6.21982 13.187 6.72869 numMergedOcc 0
9 mol 76 unq 1 iso 0 dist 8.19682 7.27693 5.77727 9.85905 4.00608 6.48293 10.2879 6.21982 11.2278 6.72869 numMergedOcc 0
10 mol 109 unq 0 iso 0 dist 5.87358 5.34214 5.94311 7.07971 5.15674 6.8409 4.98336 9.20981 7.55384 11.8087 numMergedOcc 0
11 mol 115 unq 0 iso 0 dist 8.66155 5.72642 5.87507 7.69765 9.13361 7.27912 7.69052 9.66954 10.9734 13.4105 numMergedOcc 0
12 mol 115 unq 1 iso 0 dist 8.66155 5.72642 5.87507 9.42082 6.49835 10.5109 7.69052 9.66954 10.9734 6.39384 numMergedOcc 0
13 mol 134 unq 0 iso 0 dist 8.79571 8.20836 9.65798 7.21868 5.67107 4.935 5.49782 5.42582 10.873 7.93372 numMergedOcc 0
14 mol 134 unq 1 iso 0 dist 8.79571 8.20836 9.65798 7.21868 5.67107 4.935 8.80819 8.6355 13.846 11.988 numMergedOcc 0
15 mol 141 unq 0 iso 0 dist 6.93652 6.69515 8.00633 8.07097 4.22522 5.25982 5.67306 9.54444 11.0888 11.7578 numMergedOcc 0
16 mol 142 unq 0 iso 0 dist 7.15475 9.17106 5.14959 7.81207 5.26247 9.38687 5.32922 9.07935 12.432 6.14151 numMergedOcc 0
17 mol 142 unq 1 iso 0 dist 7.15475 9.17106 5.14959 7.18002 12.2806 11.093 5.32922 9.07935 12.432 10.7696 numMergedOcc 0
18 mol 227 unq 0 iso 0 dist 8.17891 8.38865 5.92529 5.23634 4.09934 7.3164 5.22356 6.95902 5.4694 6.91318 numMergedOcc 0
19 mol 227 unq 1 iso 0 dist 6.95902 5.4694 5.92529 6.91318 4.09934 7.3164 5.22356 8.17891 8.38865 5.23634 numMergedOcc 0
20 mol 234 unq 0 iso 0 dist 7.85175 7.5366 13.0974 7.81215 10.5304 11.0592 5.88703 6.25105 8.24186 11.6391 numMergedOcc 0
21 mol 236 unq 0 iso 0 dist 5.34718 8.50331 11.6774 9.3206 13.0765 5.59363 7.28249 7.17676 11.9847 10.1317 numMergedOcc 0
22 mol 238 unq 0 iso 0 dist 9.68513 6.4398 6.48619 8.82351 5.99163 6.22195 10.1648 9.29858 7.32982 12.7605 numMergedOcc 0
23 mol 238 unq 1 iso 0 dist 9.29858 7.32982 6.48619 9.72188 11.7938 13.0611 10.1648 9.68513 6.4398 11.1002 numMergedOcc 0
24 mol 238 unq 2 iso 0 dist 5.9216 6.4398 5.8333 8.82351 4.40419 6.22195 5.40359 9.90142 6.66971 11.1059 numMergedOcc 0
