0 mol 7 unq 0 iso 0 dist 9.96415 14.6751 9.67164 14.5008 13.156 7.10621 10.9229 5.5683 8.72114 13.8829 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.96415 7.15287 5.99459 6.22892 6.88805 8.41585 12.916 6.12483 5.99972 12.0193 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.14598 9.20254 7.95042 6.85331 5.69214 6.86014 13.4332 10.0453 9.41441 6.66749 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 8.14598 9.20254 7.95042 10.4452 5.11636 8.86116 13.4332 10.0453 9.41441 14.012 numMergedOcc 0
4 mol 56 unq 0 iso 0 dist 8.25594 15.6547 9.03564 14.6148 6.75591 8.66265 17.8435 9.76482 7.16773 6.63327 numMergedOcc 0
5 mol 95 unq 0 iso 0 dist 8.23073 7.95165 8.27883 10.1171 4.99174 9.03572 14.4656 15.7954 9.49454 13.3662 numMergedOcc 0
6 mol 95 unq 1 iso 0 dist 8.23073 7.95165 8.27883 14.2142 8.67311 8.83255 14.4656 15.7954 9.49454 12.0666 numMergedOcc 0
7 mol 95 unq 2 iso 0 dist 8.23073 7.95165 8.27883 14.7115 15.6249 8.03644 14.4656 15.7954 9.49454 11.4333 numMergedOcc 0
8 mol 129 unq 0 iso 0 dist 9.71342 6.29782 5.58833 10.514 9.00231 5.83384 15.1742 9.30433 9.36851 10.7293 numMergedOcc 0
9 mol 129 unq 1 iso 0 dist 9.71342 6.29782 5.58833 10.514 9.00231 5.83384 10.9456 4.28744 4.97175 7.29399 numMergedOcc 0
10 mol 129 unq 2 iso 0 dist 8.57774 5.99695 5.58833 10.482 9.00231 5.83384 7.32407 9.30433 9.36851 10.7293 numMergedOcc 0
11 mol 129 unq 3 iso 0 dist 8.57774 5.99695 5.58833 10.482 9.00231 5.83384 6.48695 4.28744 4.97175 7.29399 numMergedOcc 0
12 mol 143 unq 0 iso 0 dist 9.70788 10.1013 7.36975 12.8179 13.1926 5.99315 9.98349 12.207 7.78652 6.48978 numMergedOcc 0
13 mol 143 unq 1 iso 0 dist 9.70788 10.1013 7.36975 12.8179 13.1926 5.99315 13.9605 14.7271 8.91301 5.20762 numMergedOcc 0
14 mol 181 unq 0 iso 0 dist 8.39573 12.5935 9.01624 13.3844 5.71898 7.81386 17.0911 11.9796 5.94469 7.77758 numMergedOcc 0
15 mol 181 unq 1 iso 0 dist 8.39573 12.5935 9.01624 9.63295 5.93724 7.63312 17.0911 11.9796 5.94469 12.5387 numMergedOcc 0
16 mol 205 unq 0 iso 0 dist 6.75579 4.25942 6.52816 9.82156 9.49403 6.03031 5.63477 5.28417 6.03688 8.15057 numMergedOcc 0
17 mol 205 unq 1 iso 0 dist 6.75579 4.25942 6.52816 10.4618 13.514 7.26832 5.63477 5.28417 6.03688 12.4957 numMergedOcc 0
18 mol 205 unq 2 iso 0 dist 6.75579 4.25942 6.52816 9.3629 3.56269 7.80463 5.63477 5.28417 6.03688 6.09749 numMergedOcc 0
19 mol 223 unq 0 iso 0 dist 7.27963 10.6103 6.42257 10.5187 4.04036 8.77153 16.0359 10.5752 7.48463 11.8654 numMergedOcc 0
20 mol 223 unq 1 iso 0 dist 7.27963 10.6103 6.42257 16.5225 9.47076 8.6166 16.0359 10.5752 7.48463 6.05524 numMergedOcc 0
21 mol 238 unq 0 iso 0 dist 9.67281 11.2453 9.72188 11.7876 7.06793 5.72887 16.8938 17.1065 9.24557 14.7883 numMergedOcc 0
22 mol 259 unq 0 iso 0 dist 8.40328 6.18571 5.85442 13.6279 10.067 7.46176 10.9688 4.47425 7.08526 8.81835 numMergedOcc 0
23 mol 259 unq 1 iso 0 dist 8.2518 11.0067 9.46361 16.342 12.2293 8.13497 10.9688 4.10176 7.98231 8.41846 numMergedOcc 0
24 mol 259 unq 2 iso 0 dist 8.2518 11.0067 9.46361 13.6279 11.6988 7.88519 10.9688 4.10176 7.98231 8.81835 numMergedOcc 0
25 mol 259 unq 3 iso 0 dist 8.2518 6.18571 6.95511 13.6279 11.6988 7.46176 10.9688 4.10176 7.08526 8.81835 numMergedOcc 0
