0 mol 16 unq 0 iso 0 dist 9.47421 12.558 7.03948 10.8592 6.2983 5.05803 15.4251 11.7521 5.30082 6.93532 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 9.47421 5.66097 5.47769 10.8592 6.2983 6.31718 15.4251 11.7521 10.4366 6.93532 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 5.36258 6.57145 8.23643 8.18518 6.55187 4.54938 10.5195 11.3136 4.97119 6.41575 numMergedOcc 0
3 mol 19 unq 1 iso 0 dist 5.36258 6.57145 8.23643 12.9091 12.3093 6.864 10.5195 11.3136 4.97119 6.41423 numMergedOcc 0
4 mol 19 unq 2 iso 0 dist 5.36258 6.01189 8.73972 8.18518 6.55187 7.82074 10.5195 11.3136 6.01808 6.41575 numMergedOcc 0
5 mol 25 unq 0 iso 0 dist 5.88852 5.78908 7.685 10.8651 10.3635 6.03987 7.18571 9.71382 5.68392 6.85556 numMergedOcc 0
6 mol 64 unq 0 iso 0 dist 8.64746 9.95527 8.68586 12.3873 5.3948 9.67592 7.07433 9.32552 6.21578 9.97159 numMergedOcc 0
7 mol 75 unq 0 iso 0 dist 7.14313 6.77761 5.15851 7.16583 10.0425 7.79912 6.05353 13.1026 11.4997 9.81166 numMergedOcc 0
8 mol 75 unq 1 iso 0 dist 8.26819 5.56574 5.15851 13.0751 10.0425 7.79912 15.7956 13.1026 11.4997 9.81166 numMergedOcc 0
9 mol 100 unq 0 iso 0 dist 6.0026 6.89762 8.72704 10.0165 10.1589 7.47343 9.09335 9.44658 12.2861 8.30845 numMergedOcc 0
10 mol 100 unq 1 iso 0 dist 6.0026 6.89762 8.72704 10.0165 10.1589 7.47343 18.2202 18.5425 15.5385 8.76378 numMergedOcc 0
11 mol 102 unq 0 iso 0 dist 6.793 7.49575 9.94856 9.0361 5.498 7.36792 13.32 13.2332 7.42011 8.31932 numMergedOcc 0
12 mol 119 unq 0 iso 0 dist 7.41608 5.81718 9.80862 9.85387 9.35964 6.18601 16.0079 16.6554 10.4376 8.00003 numMergedOcc 0
13 mol 119 unq 1 iso 0 dist 6.36583 6.24736 6.19042 11.4157 6.35763 9.87172 11.037 11.1099 10.9441 9.11344 numMergedOcc 0
14 mol 119 unq 2 iso 0 dist 6.36583 5.81718 8.43904 9.85387 10.3457 6.18601 16.0079 16.109 10.4376 8.00003 numMergedOcc 0
15 mol 133 unq 0 iso 0 dist 6.61636 14.1314 7.92688 10.5219 4.68409 7.11802 14.9571 12.3267 16.0138 9.22232 numMergedOcc 0
16 mol 133 unq 1 iso 0 dist 6.61636 14.1314 7.92688 10.5219 4.68409 7.11802 10.745 6.51868 5.92062 9.22661 numMergedOcc 0
17 mol 133 unq 2 iso 0 dist 6.61636 14.1314 7.92688 10.5219 4.68409 7.11802 11.3682 7.34698 6.61891 7.56378 numMergedOcc 0
18 mol 155 unq 0 iso 0 dist 8.54318 12.7034 9.14392 18.2865 12.1814 6.43582 15.9183 13.3276 5.50031 7.92304 numMergedOcc 0
19 mol 220 unq 0 iso 0 dist 5.00266 6.19375 6.99002 15.0279 15.9568 9.23153 10.7876 13.5801 7.11498 6.59716 numMergedOcc 0
20 mol 222 unq 0 iso 0 dist 7.46845 5.90074 7.18956 7.27481 7.61682 7.54212 13.0565 16.4961 13.3447 9.07471 numMergedOcc 0
21 mol 227 unq 0 iso 0 dist 6.37369 10.8811 9.62609 17.255 14.6185 8.65997 20.8476 19.0662 10.204 7.43071 numMergedOcc 0
22 mol 227 unq 1 iso 0 dist 6.37369 10.8811 9.62609 17.255 14.6185 8.65997 15.2375 14.0608 9.72615 5.41321 numMergedOcc 0
23 mol 282 unq 0 iso 0 dist 7.10557 10.9773 6.85028 12.9821 6.3384 8.04483 15.1958 11.0343 5.65568 9.0975 numMergedOcc 0
24 mol 282 unq 1 iso 0 dist 7.10557 11.2762 7.32347 12.9821 6.3384 6.33524 15.1958 11.0343 5.0324 9.0975 numMergedOcc 0
