0 mol 58 unq 0 iso 0 dist 8.52969 12.9126 8.26899 5.99959 6.75888 8.80108 9.0406 7.32874 4.55117 6.40841 numMergedOcc 0
1 mol 58 unq 1 iso 0 dist 8.52969 12.9126 8.26899 5.99959 6.75888 8.80108 6.58144 13.4544 14.7581 7.58407 numMergedOcc 0
2 mol 58 unq 2 iso 0 dist 8.52969 12.9126 8.26899 5.99959 6.75888 8.80108 4.98107 9.55426 10.3782 6.31428 numMergedOcc 0
3 mol 59 unq 0 iso 0 dist 7.67586 10.9894 6.71911 12.8492 5.3525 6.5096 11.7065 7.71095 5.33688 8.24062 numMergedOcc 0
4 mol 59 unq 1 iso 0 dist 8.97292 9.55542 6.71911 10.0237 5.3525 6.5096 14.1347 7.71095 5.33688 8.24062 numMergedOcc 0
5 mol 114 unq 0 iso 0 dist 5.87387 6.2394 8.71128 9.91452 9.2907 7.36816 5.51609 10.1937 4.77056 8.68821 numMergedOcc 0
6 mol 114 unq 1 iso 0 dist 5.87387 6.2394 8.71128 9.91452 9.2907 7.36816 11.3699 12.4727 5.31865 7.12609 numMergedOcc 0
7 mol 114 unq 2 iso 0 dist 6.06543 6.2394 7.52743 9.91452 5.33327 7.36816 5.51609 7.35754 4.77056 8.68821 numMergedOcc 0
8 mol 114 unq 3 iso 0 dist 6.06543 6.2394 7.52743 9.91452 5.33327 7.36816 11.3699 10.473 5.31865 7.12609 numMergedOcc 0
9 mol 127 unq 0 iso 0 dist 9.79448 11.8721 8.59981 10.4933 4.77464 6.3244 6.02237 9.30299 14.085 9.81878 numMergedOcc 0
10 mol 155 unq 0 iso 0 dist 8.14907 7.79621 7.39644 12.1798 5.40375 7.37901 18.1655 13.5605 13.5062 9.86313 numMergedOcc 0
11 mol 155 unq 1 iso 0 dist 8.14907 7.79621 7.39644 12.1798 5.40375 7.37901 13.862 10.7829 8.27726 7.51198 numMergedOcc 0
12 mol 156 unq 0 iso 0 dist 7.39961 5.58352 8.47155 9.89595 9.30783 6.90155 6.52984 10.4649 6.29785 6.27641 numMergedOcc 0
13 mol 156 unq 1 iso 0 dist 7.80643 5.58352 9.36805 9.89595 7.29758 6.90155 6.52984 7.44554 6.29785 6.27641 numMergedOcc 0
14 mol 175 unq 0 iso 0 dist 8.50904 14.6248 9.31887 14.6406 8.22779 4.79852 8.09861 9.0018 11.0415 9.8589 numMergedOcc 0
15 mol 175 unq 1 iso 0 dist 8.50904 14.6248 9.31887 14.6406 8.22779 4.79852 10.1323 7.652 5.0384 7.24908 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 9.25528 14.3955 6.94688 11.1948 8.25067 8.20656 11.9545 9.15386 6.80228 9.6668 numMergedOcc 0
17 mol 181 unq 1 iso 0 dist 9.25528 15.6271 6.71012 11.1948 8.25067 9.40622 11.9545 9.15386 11.6919 9.6668 numMergedOcc 0
18 mol 213 unq 0 iso 0 dist 9.06306 6.32328 8.45368 7.67499 11.1059 8.74171 11.1516 16.7686 11.1063 6.68292 numMergedOcc 0
19 mol 213 unq 1 iso 0 dist 6.82185 12.9129 9.59129 14.2318 12.2579 8.74171 11.3841 12.9274 11.1063 6.68292 numMergedOcc 0
20 mol 213 unq 2 iso 0 dist 6.77104 9.7466 6.68292 13.8034 11.1063 8.74171 18.8728 16.7686 11.1059 8.45368 numMergedOcc 0
21 mol 213 unq 3 iso 0 dist 6.77104 9.7466 6.68292 13.8034 11.1063 8.74171 18.8417 12.9274 12.2579 9.59129 numMergedOcc 0
22 mol 218 unq 0 iso 0 dist 5.52981 6.48676 7.17547 10.8284 10.2673 6.75035 13.2676 10.9501 7.47048 8.53199 numMergedOcc 0
23 mol 218 unq 1 iso 0 dist 6.22077 6.48676 7.13323 10.8284 6.60235 6.75035 13.2676 12.8943 7.47048 8.53199 numMergedOcc 0
24 mol 239 unq 0 iso 0 dist 8.49673 4.68558 7.20082 9.81195 6.26168 6.34801 6.10412 7.00034 7.04058 7.39747 numMergedOcc 0
