0 mol 45 unq 0 iso 0 dist 9.17045 10.9036 6.99408 6.3858 5.94756 4.51883 14.9722 6.11102 9.3403 10.7728 numMergedOcc 0
1 mol 45 unq 1 iso 0 dist 6.32012 5.19805 6.99408 5.52643 5.94756 4.51883 10.308 6.11102 9.3403 10.7728 numMergedOcc 0
2 mol 72 unq 0 iso 0 dist 6.68311 13.1473 6.77912 8.89611 7.12321 9.88768 10.1695 5.36766 8.624 9.74228 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 8.124 10.0721 4.65521 15.7072 8.68662 6.10063 10.1112 5.4148 8.70133 12.2276 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 8.124 10.0721 4.65521 15.7072 8.68662 6.10063 6.10011 5.7113 5.64598 11.6739 numMergedOcc 0
5 mol 73 unq 2 iso 0 dist 8.124 10.0721 4.65521 15.2252 7.4369 6.15714 10.1112 5.4148 8.70133 9.73086 numMergedOcc 0
6 mol 73 unq 3 iso 0 dist 8.124 10.0721 4.65521 15.2252 7.4369 6.15714 6.10011 5.7113 5.64598 10.9476 numMergedOcc 0
7 mol 76 unq 0 iso 0 dist 8.41567 7.5192 6.21982 6.65453 6.72869 4.00608 5.56964 10.2879 8.19682 9.85905 numMergedOcc 0
8 mol 76 unq 1 iso 0 dist 5.56964 7.5192 8.19682 6.65453 9.85905 4.00608 8.41567 10.2879 6.21982 6.72869 numMergedOcc 0
9 mol 76 unq 2 iso 0 dist 6.62246 9.82998 6.21982 7.15288 6.72869 4.00608 12.885 10.2879 8.19682 9.85905 numMergedOcc 0
10 mol 109 unq 0 iso 0 dist 8.84523 5.38332 5.87358 10.5361 7.07971 5.15674 9.45397 4.98336 9.20981 11.8087 numMergedOcc 0
11 mol 115 unq 0 iso 0 dist 8.97043 7.266 9.66954 7.34308 6.39384 6.49835 12.9647 7.69052 8.66155 9.42082 numMergedOcc 0
12 mol 117 unq 0 iso 0 dist 7.0318 5.70073 6.62561 7.5937 6.10127 6.95589 11.0698 7.22206 7.63616 11.6387 numMergedOcc 0
13 mol 134 unq 0 iso 0 dist 7.27598 7.26771 5.42582 4.70162 9.33924 6.0991 12.3933 5.49782 8.79571 13.9752 numMergedOcc 0
14 mol 134 unq 1 iso 0 dist 7.27598 7.26771 5.42582 4.70162 9.33924 6.0991 5.57904 5.00817 8.6355 9.55584 numMergedOcc 0
15 mol 134 unq 2 iso 0 dist 7.27598 7.26771 5.42582 12.487 7.93372 5.67107 12.3933 5.49782 8.79571 7.21868 numMergedOcc 0
16 mol 134 unq 3 iso 0 dist 7.27598 7.26771 5.42582 12.487 7.93372 5.67107 5.57904 5.00817 8.6355 11.988 numMergedOcc 0
17 mol 141 unq 0 iso 0 dist 7.34465 11.9359 6.93652 11.1983 8.07097 4.22522 12.54 5.67306 9.54444 11.7578 numMergedOcc 0
18 mol 142 unq 0 iso 0 dist 9.14908 11.8956 9.07935 9.15345 6.14151 5.26247 10.9228 5.32922 7.15475 7.81207 numMergedOcc 0
19 mol 227 unq 0 iso 0 dist 9.60159 7.35206 8.17891 5.19262 5.23634 4.09934 12.0857 5.22356 6.95902 6.91318 numMergedOcc 0
20 mol 238 unq 0 iso 0 dist 8.96639 12.8735 9.68513 9.54858 8.82351 5.99163 12.6253 10.1648 9.29858 12.7605 numMergedOcc 0
21 mol 238 unq 1 iso 0 dist 8.96639 10.761 5.9216 9.54858 8.82351 4.40419 5.67917 5.40359 9.90142 11.1059 numMergedOcc 0
22 mol 238 unq 2 iso 0 dist 7.64276 13.9044 6.55759 4.48114 9.12776 15.4844 11.4704 5.42006 5.38637 13.9551 numMergedOcc 0
23 mol 238 unq 3 iso 0 dist 7.64276 13.3748 7.02475 4.48114 9.12776 13.037 15.4736 12.9854 8.96531 14.1555 numMergedOcc 0
24 mol 238 unq 4 iso 0 dist 7.64276 5.61491 7.19008 4.48114 9.12776 6.12722 4.87108 5.34096 7.49471 8.69015 numMergedOcc 0
