0 mol 14 unq 0 iso 0 dist 9.42142 5.63648 8.39221 8.13983 7.00835 6.38364 3.77264 10.2498 4.05028 6.45858 numMergedOcc 0
1 mol 59 unq 0 iso 0 dist 5.70814 6.8958 6.48625 7.7978 6.34264 7.17396 3.60121 5.58384 5.85228 9.55751 numMergedOcc 0
2 mol 59 unq 1 iso 0 dist 5.58384 5.85228 6.48625 9.55751 6.34264 7.17396 3.60121 5.70814 6.8958 7.7978 numMergedOcc 0
3 mol 61 unq 0 iso 0 dist 9.82315 7.49081 5.92705 10.5781 5.4671 6.65721 6.43722 10.9902 6.16737 9.22002 numMergedOcc 0
4 mol 61 unq 1 iso 0 dist 9.82315 7.49081 5.92705 12.4244 10.1513 6.72123 6.43722 10.9902 6.16737 7.52103 numMergedOcc 0
5 mol 61 unq 2 iso 0 dist 9.82315 7.49081 5.92705 12.4244 10.1513 6.72123 10.6917 9.7314 4.90701 8.46556 numMergedOcc 0
6 mol 61 unq 3 iso 0 dist 9.67403 4.90701 9.62468 11.0419 10.7369 6.65721 8.61908 15.5461 6.16737 9.22002 numMergedOcc 0
7 mol 61 unq 4 iso 0 dist 9.67403 4.90701 9.62468 8.46556 11.5608 6.72123 8.61908 15.5461 6.16737 7.52103 numMergedOcc 0
8 mol 61 unq 5 iso 0 dist 7.28917 16.7918 9.62468 17.6513 10.7369 6.65721 22.6867 15.5461 6.16737 9.22002 numMergedOcc 0
9 mol 61 unq 6 iso 0 dist 7.28917 16.7918 9.62468 18.1412 11.5608 6.72123 22.6867 15.5461 6.16737 7.52103 numMergedOcc 0
10 mol 61 unq 7 iso 0 dist 7.28917 16.7918 9.62468 18.1412 11.5608 6.72123 15.8202 9.67403 4.90701 8.46556 numMergedOcc 0
11 mol 73 unq 0 iso 0 dist 9.66744 8.59095 6.89722 12.9661 5.2774 6.19304 9.96948 5.58346 4.69583 6.18305 numMergedOcc 0
12 mol 109 unq 0 iso 0 dist 8.11083 12.7688 8.21889 12.2141 5.5332 7.34473 6.14668 7.66832 9.47324 8.73648 numMergedOcc 0
13 mol 109 unq 1 iso 0 dist 8.11083 10.5733 9.74643 12.2141 5.5332 8.58044 6.14668 7.66832 4.93112 8.73648 numMergedOcc 0
14 mol 109 unq 2 iso 0 dist 8.11083 4.76017 6.86702 12.2141 5.5332 9.97763 6.14668 7.66832 4.48038 8.73648 numMergedOcc 0
15 mol 117 unq 0 iso 0 dist 6.81489 10.0087 7.70533 17.1533 14.3476 7.90328 18.7324 18.0633 10.4485 6.90827 numMergedOcc 0
16 mol 117 unq 1 iso 0 dist 6.81489 10.0087 7.70533 17.1533 14.3476 7.90328 20.911 20.747 13.8755 8.90977 numMergedOcc 0
17 mol 133 unq 0 iso 0 dist 9.21256 13.46 6.11955 9.84918 7.96098 6.80239 10.5425 6.23615 4.64588 5.82404 numMergedOcc 0
18 mol 133 unq 1 iso 0 dist 8.3243 13.7612 6.11955 11.3707 7.96098 6.80239 12.3753 6.23615 4.64588 5.82404 numMergedOcc 0
19 mol 133 unq 2 iso 0 dist 8.95239 12.9605 6.11955 11.8159 7.96098 6.80239 14.0664 6.23615 4.64588 5.82404 numMergedOcc 0
20 mol 133 unq 3 iso 0 dist 7.03858 11.981 8.84018 14.1938 8.00493 6.5107 7.57921 6.85651 4.84607 9.3894 numMergedOcc 0
21 mol 180 unq 0 iso 0 dist 5.43774 6.54937 8.44989 9.88732 9.76368 9.62337 5.33436 8.31061 6.91082 5.77949 numMergedOcc 0
22 mol 180 unq 1 iso 0 dist 5.43774 6.54937 8.44989 9.88732 9.76368 9.62337 6.10537 9.91767 10.1423 8.68403 numMergedOcc 0
23 mol 180 unq 2 iso 0 dist 5.43774 6.54937 8.44989 9.88732 9.76368 9.62337 12.986 13.9189 9.82186 5.80441 numMergedOcc 0
24 mol 180 unq 3 iso 0 dist 8.31061 6.91082 8.44989 5.77949 9.76368 9.62337 5.33436 5.43774 6.54937 9.88732 numMergedOcc 0
25 mol 180 unq 4 iso 0 dist 8.31061 6.91082 8.44989 5.77949 9.76368 9.62337 3.984 9.91767 10.1423 8.68403 numMergedOcc 0
26 mol 180 unq 5 iso 0 dist 8.31061 6.91082 8.44989 5.77949 9.76368 9.62337 8.49238 13.9189 9.82186 5.80441 numMergedOcc 0
27 mol 205 unq 0 iso 0 dist 6.09754 4.78067 8.43584 9.34594 10.6123 7.45763 5.80929 10.7582 4.2475 6.752 numMergedOcc 0
28 mol 205 unq 1 iso 0 dist 6.09754 4.78067 8.43584 9.34594 10.6123 7.45763 9.66755 13.5379 6.8901 5.4913 numMergedOcc 0
29 mol 238 unq 0 iso 0 dist 9.46728 11.9383 6.83152 18.0919 10.8336 6.57393 16.3451 12.1043 5.33567 6.24928 numMergedOcc 0
30 mol 238 unq 1 iso 0 dist 9.91921 4.7157 9.31417 6.2365 6.62361 5.72887 10.4116 15.9247 12.521 9.94315 numMergedOcc 0
31 mol 238 unq 2 iso 0 dist 9.91921 4.7157 9.31417 6.2365 6.62361 5.72887 6.21773 14.2562 9.18011 8.59074 numMergedOcc 0
32 mol 238 unq 3 iso 0 dist 8.20243 4.7157 5.56719 6.2365 5.96552 5.72887 10.4116 15.6563 12.521 9.94315 numMergedOcc 0
33 mol 238 unq 4 iso 0 dist 8.20243 4.7157 5.56719 6.2365 5.96552 5.72887 6.21773 13.2039 9.18011 8.59074 numMergedOcc 0
34 mol 241 unq 0 iso 0 dist 8.15897 9.87799 9.72526 9.18476 4.86437 7.4631 10.5872 12.3126 6.72492 8.40773 numMergedOcc 0
35 mol 259 unq 0 iso 0 dist 5.98006 9.79538 9.58006 11.1503 11.8501 7.46176 14.0044 17.6082 15.3806 9.54857 numMergedOcc 0
