0 mol 7 unq 0 iso 0 dist 6.22892 7.15287 8.41585 5.13744 6.36911 6.06176 12.916 12.0193 5.99972 10.6471 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 9.47321 5.91584 8.57077 8.48796 8.47421 5.60154 14.7729 9.5997 9.62394 9.57198 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 8.17898 5.72175 5.05803 12.0005 7.03948 6.2983 5.36911 5.30082 6.93532 11.7521 numMergedOcc 0
3 mol 19 unq 0 iso 0 dist 7.84393 9.01721 7.82074 6.31174 8.73972 6.55187 10.7145 6.01808 6.41575 11.3136 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 6.85331 9.20254 6.86014 8.91397 9.75144 5.39241 13.4332 6.66749 9.41441 13.2857 numMergedOcc 0
5 mol 64 unq 0 iso 0 dist 9.10915 9.73304 9.67592 12.9814 8.68586 5.3948 12.219 6.21578 9.97159 9.32552 numMergedOcc 0
6 mol 64 unq 1 iso 0 dist 8.66921 10.8918 9.67592 11.75 8.68586 5.3948 14.1509 6.21578 9.97159 9.32552 numMergedOcc 0
7 mol 64 unq 2 iso 0 dist 5.54343 5.59762 9.67592 5.68492 8.68586 5.3948 9.23947 6.21578 9.97159 9.32552 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 6.30194 10.5627 6.19304 5.14919 4.65521 7.41074 10.9561 6.56633 9.24757 7.10439 numMergedOcc 0
9 mol 73 unq 1 iso 0 dist 5.79954 12.8388 9.96396 13.1044 8.70133 7.41074 6.66506 5.11416 9.24757 7.10439 numMergedOcc 0
10 mol 73 unq 2 iso 0 dist 7.01889 15.0744 9.96396 15.124 8.70133 7.41074 11.8962 5.11416 9.24757 7.10439 numMergedOcc 0
11 mol 85 unq 0 iso 0 dist 9.22376 5.75796 7.47541 13.0379 7.22293 7.98917 14.407 13.5116 9.82915 10.0297 numMergedOcc 0
12 mol 85 unq 1 iso 0 dist 9.22376 3.85308 7.66905 13.0379 7.22293 11.6116 9.04728 4.65335 7.54568 11.8261 numMergedOcc 0
13 mol 85 unq 2 iso 0 dist 9.22376 9.77828 5.73196 13.0379 7.22293 6.47779 9.04728 4.65335 9.39864 11.8261 numMergedOcc 0
14 mol 119 unq 0 iso 0 dist 6.85677 4.99061 6.18601 9.87733 9.80862 9.35964 11.6949 10.4376 8.00003 16.6554 numMergedOcc 0
15 mol 119 unq 1 iso 0 dist 6.85677 4.99061 6.18601 11.7378 8.43904 10.3457 11.6949 10.4376 8.00003 16.109 numMergedOcc 0
16 mol 134 unq 0 iso 0 dist 5.67862 9.52819 6.37586 6.30187 5.42582 5.41704 10.8422 5.29786 6.23142 8.73604 numMergedOcc 0
17 mol 134 unq 1 iso 0 dist 5.67862 12.4156 9.71307 6.30187 5.42582 6.17103 10.8422 5.29786 9.94764 8.73604 numMergedOcc 0
18 mol 134 unq 2 iso 0 dist 7.97208 12.5576 6.54501 6.30187 8.6355 10.1448 10.8422 5.71679 7.69991 8.73604 numMergedOcc 0
19 mol 134 unq 3 iso 0 dist 7.97208 9.52819 6.49416 6.30187 8.6355 5.41704 10.8422 5.71679 6.23142 8.73604 numMergedOcc 0
20 mol 175 unq 0 iso 0 dist 6.6776 7.42609 6.57069 10.2578 9.8589 7.5414 8.79832 8.29015 9.77896 5.4997 numMergedOcc 0
21 mol 181 unq 0 iso 0 dist 9.63295 12.5935 7.63312 10.602 6.93764 4.80231 17.0911 12.5387 5.94469 10.6207 numMergedOcc 0
22 mol 204 unq 0 iso 0 dist 7.7292 9.54287 8.51516 11.695 5.90931 12.9483 8.82861 5.86489 7.32294 11.641 numMergedOcc 0
23 mol 220 unq 0 iso 0 dist 8.9077 10.6943 9.23153 10.4277 6.84247 6.7067 7.46122 7.11498 6.59716 9.7334 numMergedOcc 0
24 mol 220 unq 1 iso 0 dist 8.9077 10.6943 9.23153 12.6281 6.99002 15.9568 7.46122 7.11498 6.59716 13.5801 numMergedOcc 0
25 mol 239 unq 0 iso 0 dist 9.26156 7.10801 7.00034 13.2114 7.20082 7.04058 13.1014 10.0842 9.01021 10.9156 numMergedOcc 0
26 mol 282 unq 0 iso 0 dist 8.58671 8.13794 8.04483 4.91806 6.85028 6.3384 13.3375 5.65568 9.0975 11.0343 numMergedOcc 0
27 mol 282 unq 1 iso 0 dist 9.51581 9.67023 6.33524 10.8603 7.32347 6.3384 14.0832 5.0324 9.0975 11.0343 numMergedOcc 0
