0 mol 26 unq 0 iso 0 dist 9.15677 16.4682 8.34347 15.7188 6.73162 7.23546 15.11 11.887 9.16962 15.0652 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 9.61029 14.3476 8.34347 7.95969 6.73162 7.23546 19.97 11.887 9.16962 15.0652 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 8.52969 9.0406 7.32874 12.9126 8.26899 4.55117 5.99959 6.75888 6.40841 8.80108 numMergedOcc 0
3 mol 58 unq 1 iso 0 dist 8.52969 4.98107 9.55426 12.9126 8.26899 10.3782 10.1107 13.1021 9.73139 12.8396 numMergedOcc 0
4 mol 58 unq 2 iso 0 dist 8.52969 4.98107 9.55426 12.9126 8.26899 10.3782 5.99959 6.75888 6.31428 8.80108 numMergedOcc 0
5 mol 59 unq 0 iso 0 dist 7.67586 11.7065 7.71095 10.9894 6.71911 5.33688 12.8492 5.3525 8.24062 6.5096 numMergedOcc 0
6 mol 59 unq 1 iso 0 dist 8.97292 14.1347 7.71095 9.55542 6.71911 5.33688 10.0237 5.3525 8.24062 6.5096 numMergedOcc 0
7 mol 100 unq 0 iso 0 dist 5.09688 12.2879 7.47343 10.6273 8.72704 10.1589 20.0169 15.209 7.75343 16.0363 numMergedOcc 0
8 mol 100 unq 1 iso 0 dist 9.26343 16.4386 7.47343 11.6898 8.72704 10.1589 24.1237 15.209 7.75343 16.0363 numMergedOcc 0
9 mol 114 unq 0 iso 0 dist 6.06543 5.51609 7.35754 6.2394 7.52743 4.77056 9.91452 5.33327 8.68821 7.36816 numMergedOcc 0
10 mol 127 unq 0 iso 0 dist 9.79448 6.02237 9.30299 11.8721 8.59981 14.085 10.4933 4.77464 9.81878 6.3244 numMergedOcc 0
11 mol 127 unq 1 iso 0 dist 9.79448 6.02237 9.30299 11.5439 7.34519 13.1312 10.4933 4.77464 9.81878 11.7518 numMergedOcc 0
12 mol 156 unq 0 iso 0 dist 7.80643 6.52984 7.44554 5.58352 9.36805 6.29785 9.89595 7.29758 6.27641 6.90155 numMergedOcc 0
13 mol 175 unq 0 iso 0 dist 8.50904 8.09861 9.0018 14.6248 9.31887 11.0415 14.6406 8.22779 9.8589 4.79852 numMergedOcc 0
14 mol 175 unq 1 iso 0 dist 8.50904 10.1323 7.652 14.6248 9.31887 5.0384 14.6406 8.22779 7.24908 4.79852 numMergedOcc 0
15 mol 175 unq 2 iso 0 dist 7.04318 8.09861 5.6234 6.61225 9.0664 5.28109 14.6406 10.5631 9.8589 12.8738 numMergedOcc 0
16 mol 175 unq 3 iso 0 dist 7.04318 10.1323 9.92231 6.61225 9.0664 7.14477 14.6406 10.5631 7.24908 12.8738 numMergedOcc 0
17 mol 181 unq 0 iso 0 dist 6.96824 8.76337 7.63312 5.54495 6.93764 4.80231 10.5414 9.60512 7.98142 10.7841 numMergedOcc 0
18 mol 181 unq 1 iso 0 dist 6.96824 8.76337 7.63312 5.54495 6.93764 4.80231 13.0459 13.3389 7.37327 11.1129 numMergedOcc 0
19 mol 181 unq 2 iso 0 dist 9.25528 11.4901 5.98885 14.3955 6.94688 5.86342 11.1264 5.4601 7.20046 10.5561 numMergedOcc 0
20 mol 181 unq 3 iso 0 dist 9.25528 11.4901 5.98885 14.3955 6.94688 5.86342 15.1056 10.0524 7.13543 11.7007 numMergedOcc 0
21 mol 181 unq 4 iso 0 dist 9.25528 11.4901 5.98885 15.6271 6.71012 9.14057 11.1264 5.4601 7.20046 9.94131 numMergedOcc 0
22 mol 181 unq 5 iso 0 dist 9.25528 11.4901 5.98885 15.6271 6.71012 9.14057 15.1056 10.0524 7.13543 12.8673 numMergedOcc 0
23 mol 181 unq 6 iso 0 dist 9.25528 11.9545 9.15386 14.3955 6.94688 6.80228 11.1948 8.25067 9.6668 8.20656 numMergedOcc 0
24 mol 181 unq 7 iso 0 dist 9.25528 11.9545 9.15386 15.6271 6.71012 11.6919 11.1948 8.25067 9.6668 9.40622 numMergedOcc 0
25 mol 214 unq 0 iso 0 dist 6.83122 6.75833 8.85478 8.77336 6.97182 8.47007 6.74861 6.67959 7.46831 11.7443 numMergedOcc 0
26 mol 214 unq 1 iso 0 dist 6.83122 6.75833 8.85478 10.8541 6.1175 12.8334 6.74861 6.67959 7.46831 12.7646 numMergedOcc 0
27 mol 238 unq 0 iso 0 dist 9.82174 10.4397 6.57393 12.5765 6.91569 10.9761 6.54661 6.20606 5.38637 11.9092 numMergedOcc 0
28 mol 239 unq 0 iso 0 dist 8.49673 6.10412 7.00034 4.68558 7.20082 7.04058 9.81195 6.26168 7.39747 6.34801 numMergedOcc 0
29 mol 239 unq 1 iso 0 dist 8.49673 6.10412 7.00034 4.68558 7.20082 7.04058 12.1393 5.39146 8.1777 9.95595 numMergedOcc 0
30 mol 282 unq 0 iso 0 dist 7.90792 8.93697 6.33524 6.63358 7.32347 6.3384 14.2443 7.36881 8.8673 13.4504 numMergedOcc 0
