0 mol 16 unq 0 iso 0 dist 6.84569 5.66529 6.58035 11.8413 10.7015 7.03948 15.1109 15.3667 9.87867 6.42835 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 6.84569 5.66529 6.58035 11.8413 10.7015 7.03948 9.36191 11.1513 4.68733 6.57331 numMergedOcc 0
2 mol 16 unq 2 iso 0 dist 6.84569 5.66529 6.58035 9.59856 5.32694 5.47769 9.36191 11.1513 4.68733 8.43054 numMergedOcc 0
3 mol 72 unq 0 iso 0 dist 6.68311 13.1473 6.77912 10.1695 5.36766 8.624 8.89611 7.12321 9.88768 9.74228 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 6.10011 10.0721 5.64598 10.1112 7.4697 8.70133 15.2252 10.9476 6.15714 9.73086 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 6.10011 10.0721 5.64598 8.124 5.7113 4.65521 15.7072 11.6739 6.10063 8.68662 numMergedOcc 0
6 mol 73 unq 2 iso 0 dist 6.10011 10.0721 5.64598 8.124 5.7113 4.65521 15.2252 10.9476 6.15714 7.4369 numMergedOcc 0
7 mol 73 unq 3 iso 0 dist 8.124 10.0721 4.65521 10.1112 5.4148 8.70133 15.2252 7.4369 6.15714 9.73086 numMergedOcc 0
8 mol 76 unq 0 iso 0 dist 8.41567 7.5192 6.21982 5.56964 10.2879 8.19682 6.65453 6.72869 4.00608 9.85905 numMergedOcc 0
9 mol 76 unq 1 iso 0 dist 5.56964 7.5192 8.19682 8.41567 10.2879 6.21982 6.65453 9.85905 4.00608 6.72869 numMergedOcc 0
10 mol 76 unq 2 iso 0 dist 6.62246 9.82998 6.21982 12.885 10.2879 8.19682 7.15288 6.72869 4.00608 9.85905 numMergedOcc 0
11 mol 109 unq 0 iso 0 dist 9.45397 5.38332 9.20981 8.84523 4.98336 5.87358 10.5361 11.8087 5.15674 7.07971 numMergedOcc 0
12 mol 115 unq 0 iso 0 dist 8.97043 7.266 9.66954 12.9647 7.69052 8.66155 15.8736 13.4105 9.13361 7.69765 numMergedOcc 0
13 mol 115 unq 1 iso 0 dist 8.97043 7.266 9.66954 12.9647 7.69052 8.66155 7.34308 6.39384 6.49835 9.42082 numMergedOcc 0
14 mol 117 unq 0 iso 0 dist 7.0318 5.70073 6.62561 11.0698 7.22206 7.63616 8.08934 10.4223 5.56883 8.19331 numMergedOcc 0
15 mol 134 unq 0 iso 0 dist 7.27598 7.26771 5.42582 12.3933 5.49782 8.79571 12.487 7.93372 5.67107 7.21868 numMergedOcc 0
16 mol 134 unq 1 iso 0 dist 5.57904 7.26771 8.6355 12.3933 8.80819 8.79571 12.487 11.988 5.67107 7.21868 numMergedOcc 0
17 mol 134 unq 2 iso 0 dist 5.57904 7.26771 8.6355 7.27598 5.00817 5.42582 4.70162 9.55584 6.0991 9.33924 numMergedOcc 0
18 mol 134 unq 3 iso 0 dist 5.57904 7.26771 8.6355 7.27598 5.00817 5.42582 12.487 11.988 5.67107 7.93372 numMergedOcc 0
19 mol 134 unq 4 iso 0 dist 6.54987 6.63186 7.77454 10.9185 7.93571 8.94837 12.0307 11.0651 5.58312 9.00918 numMergedOcc 0
20 mol 134 unq 5 iso 0 dist 6.54987 6.63186 7.77454 10.9185 7.93571 8.94837 15.2273 12.782 9.61537 7.99477 numMergedOcc 0
21 mol 142 unq 0 iso 0 dist 9.14908 11.8956 9.07935 10.9228 5.32922 7.15475 9.15345 6.14151 5.26247 7.81207 numMergedOcc 0
22 mol 142 unq 1 iso 0 dist 9.14908 11.8956 9.07935 10.9228 5.32922 7.15475 11.561 10.7696 12.2806 7.18002 numMergedOcc 0
23 mol 227 unq 0 iso 0 dist 9.60159 7.35206 8.17891 12.0857 5.22356 6.95902 5.19262 5.23634 4.09934 6.91318 numMergedOcc 0
24 mol 238 unq 0 iso 0 dist 6.06422 5.58989 5.38637 9.6312 5.42006 6.55759 18.4022 13.9551 15.4844 9.12776 numMergedOcc 0
25 mol 238 unq 1 iso 0 dist 7.61478 5.92575 8.96531 11.6421 12.9854 7.02475 14.0336 14.1555 13.037 9.12776 numMergedOcc 0
26 mol 238 unq 2 iso 0 dist 5.67917 10.761 9.90142 8.96639 5.40359 5.9216 9.54858 11.1059 4.40419 8.82351 numMergedOcc 0
27 mol 238 unq 3 iso 0 dist 8.96639 12.8735 9.68513 12.6253 10.1648 9.29858 18.6558 11.1002 11.7938 9.72188 numMergedOcc 0
28 mol 238 unq 4 iso 0 dist 4.87108 5.61491 7.49471 7.64276 5.34096 7.19008 4.48114 8.69015 6.12722 9.12776 numMergedOcc 0
29 mol 238 unq 5 iso 0 dist 6.54455 6.74728 7.49471 10.2875 5.34096 7.19008 9.41038 8.69015 6.12722 9.12776 numMergedOcc 0
30 mol 259 unq 0 iso 0 dist 8.57619 5.4536 8.37865 10.367 12.5353 7.48005 14.9571 17.0253 9.98303 9.63573 numMergedOcc 0
31 mol 259 unq 1 iso 0 dist 8.57619 5.4536 8.37865 10.367 12.5353 7.48005 17.1242 20.1127 14.0829 7.66153 numMergedOcc 0
