0 mol 54 unq 0 iso 0 dist 7.51978 13.323 6.59893 10.6355 9.5589 11.9881 13.9555 7.21717 8.02105 15.293 numMergedOcc 0
1 mol 54 unq 1 iso 0 dist 7.51978 13.323 6.59893 6.43082 6.83299 10.3564 13.9555 7.21717 8.02105 13.86 numMergedOcc 0
2 mol 54 unq 2 iso 0 dist 7.51978 13.323 6.59893 11.7347 8.10861 12.4254 13.9555 7.21717 8.02105 5.99981 numMergedOcc 0
3 mol 54 unq 3 iso 0 dist 7.51978 10.6593 5.59773 10.6355 9.5589 13.9079 13.9555 7.21717 7.93241 15.293 numMergedOcc 0
4 mol 54 unq 4 iso 0 dist 7.51978 10.6593 5.59773 6.43082 6.83299 10.4238 13.9555 7.21717 7.93241 13.86 numMergedOcc 0
5 mol 54 unq 5 iso 0 dist 7.51978 10.6593 5.59773 11.7347 8.10861 10.1356 13.9555 7.21717 7.93241 5.99981 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 5.89394 5.73112 4.98104 6.80709 7.4729 10.7572 10.9738 6.95572 9.52463 9.50382 numMergedOcc 0
7 mol 92 unq 1 iso 0 dist 5.89394 5.73112 4.98104 6.80709 7.4729 10.7572 10.3703 7.38677 6.07224 12.7565 numMergedOcc 0
8 mol 92 unq 2 iso 0 dist 5.89394 5.73112 4.98104 6.20561 6.82344 5.50764 10.9738 6.95572 9.52463 7.56363 numMergedOcc 0
9 mol 92 unq 3 iso 0 dist 5.89394 5.73112 4.98104 6.20561 6.82344 5.50764 10.3703 7.38677 6.07224 5.91004 numMergedOcc 0
10 mol 114 unq 0 iso 0 dist 5.87387 5.6579 8.42445 6.4595 7.5732 7.18757 10.6075 6.84011 12.5697 7.436 numMergedOcc 0
11 mol 119 unq 0 iso 0 dist 8.59784 6.69727 9.42766 9.70986 8.73993 14.0677 8.66162 6.52773 13.1831 7.20179 numMergedOcc 0
12 mol 119 unq 1 iso 0 dist 8.59784 6.69727 9.42766 9.70986 8.73993 14.0677 6.71925 9.23858 6.34278 9.89358 numMergedOcc 0
13 mol 122 unq 0 iso 0 dist 5.09114 12.2043 8.33083 6.01457 8.37808 12.4383 10.5529 9.23819 7.09391 7.39059 numMergedOcc 0
14 mol 122 unq 1 iso 0 dist 5.09114 12.2043 8.33083 6.01457 8.37808 12.4383 9.32745 8.88537 10.4589 5.0355 numMergedOcc 0
15 mol 125 unq 0 iso 0 dist 8.38646 9.972 8.84867 6.5815 8.62381 5.41246 6.24872 7.73435 11.7281 7.43922 numMergedOcc 0
16 mol 125 unq 1 iso 0 dist 8.38646 9.972 8.84867 6.5815 8.62381 5.41246 10.4668 9.3778 14.8614 11.0769 numMergedOcc 0
17 mol 181 unq 0 iso 0 dist 6.07676 5.90964 7.44191 6.05039 8.03334 9.60754 6.28923 6.46704 6.70394 4.43096 numMergedOcc 0
18 mol 181 unq 1 iso 0 dist 6.07676 5.90964 7.44191 6.05039 8.03334 9.60754 6.10683 6.59025 11.2787 8.04639 numMergedOcc 0
19 mol 181 unq 2 iso 0 dist 6.07676 6.18164 6.00053 6.05039 8.03334 11.1879 6.28923 6.46704 10.8517 4.43096 numMergedOcc 0
20 mol 181 unq 3 iso 0 dist 6.07676 6.18164 6.00053 6.05039 8.03334 11.1879 6.10683 6.59025 5.87168 8.04639 numMergedOcc 0
21 mol 220 unq 0 iso 0 dist 8.93637 15.653 9.8711 14.8074 9.23153 4.90657 12.5597 6.59716 4.39102 7.11498 numMergedOcc 0
22 mol 238 unq 0 iso 0 dist 7.13194 8.83643 9.31417 9.05069 5.72887 6.62361 10.0472 9.24557 16.7165 14.7883 numMergedOcc 0
23 mol 238 unq 1 iso 0 dist 7.13194 4.55701 5.56719 9.05069 5.72887 5.96552 10.0472 9.24557 11.9863 14.7883 numMergedOcc 0
24 mol 238 unq 2 iso 0 dist 7.80166 11.1397 9.31417 6.77788 5.72887 6.62361 13.6806 9.24557 16.7165 14.7883 numMergedOcc 0
25 mol 238 unq 3 iso 0 dist 7.80166 8.53461 5.56719 6.77788 5.72887 5.96552 13.6806 9.24557 11.9863 14.7883 numMergedOcc 0
26 mol 249 unq 0 iso 0 dist 6.42827 6.06312 7.29898 8.22485 7.57994 6.6173 5.74889 5.48118 10.4369 10.7772 numMergedOcc 0
27 mol 249 unq 1 iso 0 dist 6.42827 6.06312 7.29898 6.77698 6.18582 8.95486 5.74889 5.48118 10.4369 7.04666 numMergedOcc 0
28 mol 249 unq 2 iso 0 dist 6.42827 10.3054 8.91685 8.22485 7.57994 5.25611 5.74889 5.48118 13.4788 10.7772 numMergedOcc 0
29 mol 249 unq 3 iso 0 dist 6.42827 10.3054 8.91685 6.77698 6.18582 9.66184 5.74889 5.48118 13.4788 7.04666 numMergedOcc 0
30 mol 259 unq 0 iso 0 dist 9.47382 12.8835 7.93997 13.8605 7.46176 14.8465 10.451 7.08526 10.9643 8.81835 numMergedOcc 0
