0 mol 58 unq 0 iso 0 dist 8.52969 11.6772 6.81627 12.9126 8.26899 5.98837 5.99959 6.75888 10.335 8.80108 numMergedOcc 0
1 mol 58 unq 1 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
2 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
3 mol 59 unq 0 iso 0 dist 7.67586 5.03832 6.85766 10.9894 6.71911 7.29033 12.8492 5.3525 10.6318 6.5096 numMergedOcc 0
4 mol 59 unq 1 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
5 mol 59 unq 2 iso 0 dist 8.97292 7.2878 6.85766 9.55542 6.71911 7.29033 10.0237 5.3525 10.6318 6.5096 numMergedOcc 0
6 mol 59 unq 3 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 114 unq 0 iso 0 dist 5.87387 6.4595 7.5732 6.2394 8.71128 5.80557 9.91452 9.2907 11.641 7.36816 numMergedOcc 0
8 mol 114 unq 1 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
9 mol 127 unq 0 iso 0 dist 9.79448 7.78467 8.14887 11.8721 8.59981 14.9761 10.4933 4.77464 11.7714 6.3244 numMergedOcc 0
10 mol 127 unq 1 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 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
12 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
13 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
14 mol 181 unq 0 iso 0 dist 9.25528 18.2027 9.1374 14.3955 6.94688 6.25083 11.1948 8.25067 13.2702 8.20656 numMergedOcc 0
15 mol 181 unq 1 iso 0 dist 9.25528 18.2027 9.1374 15.6271 6.71012 4.77278 11.1948 8.25067 13.2702 9.40622 numMergedOcc 0
16 mol 181 unq 2 iso 0 dist 9.25528 11.4901 5.98885 14.3955 6.94688 5.86342 11.1948 8.25067 10.8351 8.20656 numMergedOcc 0
17 mol 181 unq 3 iso 0 dist 9.25528 11.4901 5.98885 15.6271 6.71012 9.14057 11.1948 8.25067 10.8351 9.40622 numMergedOcc 0
18 mol 181 unq 4 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
19 mol 181 unq 5 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
20 mol 224 unq 0 iso 0 dist 7.69537 5.92906 9.40098 11.3668 8.19953 8.64911 13.2539 7.67202 11.1518 4.55996 numMergedOcc 0
21 mol 224 unq 1 iso 0 dist 7.69537 5.41675 6.61986 11.3668 8.19953 10.7113 13.2539 7.67202 12.6391 4.55996 numMergedOcc 0
22 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
23 mol 294 unq 0 iso 0 dist 7.1984 6.23921 8.15665 6.28374 9.03492 6.17102 5.29065 6.46298 10.1651 7.72845 numMergedOcc 0
