0 mol 19 unq 0 iso 0 dist 8.75001 7.84393 12.48 9.01721 17.1733 7.82074 4.93362 12.4926 6.36455 5.18512 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 9.22152 5.87895 6.7228 5.75653 13.3202 7.36323 9.6739 15.9056 9.24958 4.33963 numMergedOcc 0
2 mol 71 unq 0 iso 0 dist 8.92529 8.21553 6.10737 5.87956 10.2053 7.38797 11.7226 11.0196 7.77916 6.6504 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 8.90896 5.79954 4.78435 12.8388 11.6724 9.96396 5.67493 10.4296 7.04044 8.26458 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 8.90896 5.79954 4.78435 9.65653 14.5091 9.75218 5.67493 10.4296 7.04044 8.35241 numMergedOcc 0
5 mol 73 unq 2 iso 0 dist 8.90896 5.79954 4.78435 14.1415 10.2786 9.38498 5.67493 10.4296 7.04044 15.7304 numMergedOcc 0
6 mol 112 unq 0 iso 0 dist 9.42014 5.81552 6.29923 10.626 12.9747 9.60462 7.79791 14.8658 8.729 11.0629 numMergedOcc 0
7 mol 112 unq 1 iso 0 dist 9.42014 5.81552 6.29923 5.27363 12.5126 7.45389 7.79791 14.8658 8.729 5.48848 numMergedOcc 0
8 mol 143 unq 0 iso 0 dist 5.40826 7.5984 9.02772 5.11989 9.35213 5.99315 11.1239 10.7934 8.41611 12.7056 numMergedOcc 0
9 mol 143 unq 1 iso 0 dist 5.40826 7.5984 9.02772 5.11989 9.35213 5.99315 14.3979 15.3086 7.63338 12.8872 numMergedOcc 0
10 mol 143 unq 2 iso 0 dist 5.40826 7.5984 9.02772 5.11989 9.35213 5.99315 9.05442 13.5804 9.03707 7.76364 numMergedOcc 0
11 mol 143 unq 3 iso 0 dist 5.40826 7.5984 9.02772 5.11989 9.35213 5.99315 12.1804 15.4028 7.25673 9.23795 numMergedOcc 0
12 mol 214 unq 0 iso 0 dist 7.82201 9.40003 17.1162 16.5528 23.0178 9.65138 12.2978 18.7866 6.38157 7.38025 numMergedOcc 0
13 mol 214 unq 1 iso 0 dist 7.82201 9.40003 17.1162 9.11345 15.2631 7.14453 12.2978 18.7866 6.38157 9.35273 numMergedOcc 0
14 mol 214 unq 2 iso 0 dist 7.82201 9.40003 17.1162 16.922 23.8076 8.85478 12.2978 18.7866 6.38157 5.63388 numMergedOcc 0
15 mol 220 unq 0 iso 0 dist 9.89039 8.9077 13.6952 10.6943 15.6403 9.23153 5.41948 12.6994 5.45036 6.17628 numMergedOcc 0
16 mol 220 unq 1 iso 0 dist 9.89039 8.9077 13.6952 10.6943 15.6403 9.23153 15.1445 22.9853 9.97586 14.0253 numMergedOcc 0
17 mol 220 unq 2 iso 0 dist 9.89039 8.9077 13.6952 15.396 21.5268 8.24498 5.41948 12.6994 5.45036 10.4136 numMergedOcc 0
18 mol 220 unq 3 iso 0 dist 9.89039 8.9077 13.6952 15.396 21.5268 8.24498 15.1445 22.9853 9.97586 6.20511 numMergedOcc 0
19 mol 220 unq 4 iso 0 dist 8.57174 8.9077 13.8822 10.6943 18.2814 9.23153 5.41948 12.3489 5.45036 6.17628 numMergedOcc 0
20 mol 220 unq 5 iso 0 dist 8.57174 8.9077 13.8822 10.6943 18.2814 9.23153 15.1445 16.3594 9.97586 14.0253 numMergedOcc 0
21 mol 220 unq 6 iso 0 dist 8.57174 8.9077 13.8822 15.396 19.4468 8.24498 5.41948 12.3489 5.45036 10.4136 numMergedOcc 0
22 mol 220 unq 7 iso 0 dist 8.57174 8.9077 13.8822 15.396 19.4468 8.24498 15.1445 16.3594 9.97586 6.20511 numMergedOcc 0
23 mol 223 unq 0 iso 0 dist 6.97426 9.94212 15.9255 11.4946 18.1661 8.77153 6.33419 13.2888 6.13306 6.52273 numMergedOcc 0
24 mol 223 unq 1 iso 0 dist 6.97426 9.94212 15.9255 13.1422 19.8848 8.6166 6.33419 13.2888 6.13306 7.12885 numMergedOcc 0
25 mol 223 unq 2 iso 0 dist 8.87456 9.94212 17.7343 11.4946 20.1459 8.77153 6.33419 14.513 6.13306 6.52273 numMergedOcc 0
26 mol 223 unq 3 iso 0 dist 8.87456 9.94212 17.7343 13.1422 20.15 8.6166 6.33419 14.513 6.13306 7.12885 numMergedOcc 0
27 mol 229 unq 0 iso 0 dist 7.48693 8.0007 8.75723 5.29674 12.494 9.87838 7.57247 10.0674 5.77318 7.7339 numMergedOcc 0
28 mol 230 unq 0 iso 0 dist 9.24729 8.33847 12.2372 7.37154 12.8799 6.7547 5.02022 6.86851 6.41286 6.20661 numMergedOcc 0
29 mol 236 unq 0 iso 0 dist 8.63249 6.36941 7.45579 8.3919 11.8908 9.81562 7.05684 5.6241 8.50331 7.22918 numMergedOcc 0
30 mol 236 unq 1 iso 0 dist 8.63249 6.36941 7.45579 4.88785 12.0498 7.68742 7.05684 5.6241 8.50331 9.05842 numMergedOcc 0
31 mol 236 unq 2 iso 0 dist 8.63249 6.36941 7.45579 10.2557 5.90804 6.27581 7.05684 5.6241 8.50331 7.00028 numMergedOcc 0
32 mol 258 unq 0 iso 0 dist 8.10903 8.81059 5.90131 9.78068 9.04358 6.42289 15.4617 12.869 7.99477 7.42673 numMergedOcc 0
33 mol 258 unq 1 iso 0 dist 8.10903 8.81059 5.90131 9.78068 9.04358 6.42289 11.0527 12.8643 7.86627 6.44209 numMergedOcc 0
34 mol 258 unq 2 iso 0 dist 8.70193 7.9357 4.51422 8.73372 10.0455 6.42289 11.517 12.3875 7.99477 7.42673 numMergedOcc 0
35 mol 258 unq 3 iso 0 dist 8.70193 7.9357 4.51422 8.73372 10.0455 6.42289 5.04382 10.8981 7.86627 6.44209 numMergedOcc 0
36 mol 258 unq 4 iso 0 dist 7.25618 8.81059 4.51422 9.78068 10.0455 6.42289 15.4617 12.3875 7.99477 7.42673 numMergedOcc 0
37 mol 258 unq 5 iso 0 dist 7.25618 8.81059 4.51422 9.78068 10.0455 6.42289 11.0527 10.8981 7.86627 6.44209 numMergedOcc 0
38 mol 261 unq 0 iso 0 dist 7.58385 8.50313 6.88989 13.3163 13.5435 8.45658 11.2562 10.2554 8.60026 6.04016 numMergedOcc 0
39 mol 261 unq 1 iso 0 dist 6.0437 8.50313 4.25662 13.3163 12.1908 8.45658 11.2562 11.2569 8.60026 6.04016 numMergedOcc 0
40 mol 261 unq 2 iso 0 dist 4.85199 7.6414 4.25662 13.6041 12.1908 8.45658 13.4429 11.2569 8.60026 6.04016 numMergedOcc 0
41 mol 261 unq 3 iso 0 dist 9.72159 7.6414 12.864 13.6041 20.1172 8.45658 13.4429 21.1638 8.60026 6.04016 numMergedOcc 0
