0 mol 16 unq 0 iso 0 dist 9.76968 8.55371 5.47769 13.862 5.32694 6.58035 13.7183 9.59856 5.66529 6.84569 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 6.88695 6.66387 9.16962 14.5062 13.2136 8.82012 13.9089 15.3546 7.35595 7.46207 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 8.2377 12.6436 5.64598 12.864 5.7113 4.65521 6.46551 6.10011 10.0721 8.124 numMergedOcc 0
3 mol 73 unq 1 iso 0 dist 6.18305 4.31731 4.65521 9.43662 5.7113 5.64598 12.2435 8.124 10.0721 6.10011 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 8.58841 13.8628 8.19682 17.86 10.2879 6.21982 13.4991 5.56964 7.5192 8.41567 numMergedOcc 0
5 mol 76 unq 1 iso 0 dist 8.58841 13.8628 8.19682 17.86 10.2879 6.21982 21.0826 12.885 9.82998 6.62246 numMergedOcc 0
6 mol 109 unq 0 iso 0 dist 8.3164 5.49138 5.87358 11.4135 4.98336 9.20981 7.12319 8.84523 5.38332 9.45397 numMergedOcc 0
7 mol 114 unq 0 iso 0 dist 9.44713 9.39191 8.68821 14.3625 8.66412 7.12609 14.0385 12.9623 5.27409 7.23973 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 5.02717 9.81097 8.66155 12.5189 7.69052 9.66954 15.9634 12.9647 7.266 8.97043 numMergedOcc 0
9 mol 119 unq 0 iso 0 dist 7.91337 6.02826 7.39889 11.7745 11.6667 9.63176 7.49885 12.7943 10.06 8.88255 numMergedOcc 0
10 mol 134 unq 0 iso 0 dist 9.92932 6.27009 8.79571 9.60411 5.49782 5.42582 13.5049 12.3933 7.26771 7.27598 numMergedOcc 0
11 mol 134 unq 1 iso 0 dist 9.92932 6.27009 8.79571 14.0674 8.80819 8.6355 13.5049 12.3933 7.26771 5.57904 numMergedOcc 0
12 mol 134 unq 2 iso 0 dist 9.60411 6.27009 5.42582 14.0674 5.00817 8.6355 13.5049 7.27598 7.26771 5.57904 numMergedOcc 0
13 mol 134 unq 3 iso 0 dist 9.55556 10.2625 8.79571 12.1043 5.49782 5.42582 17.0182 12.3933 7.26771 7.27598 numMergedOcc 0
14 mol 134 unq 4 iso 0 dist 9.55556 10.2625 8.79571 16.0579 8.80819 8.6355 17.0182 12.3933 7.26771 5.57904 numMergedOcc 0
15 mol 155 unq 0 iso 0 dist 4.44292 4.40049 7.39644 10.6076 10.7616 7.36102 11.1511 13.3396 6.79302 5.68636 numMergedOcc 0
16 mol 218 unq 0 iso 0 dist 8.5119 11.711 7.17547 13.3259 7.83217 7.13323 9.01319 9.82905 7.85937 8.2088 numMergedOcc 0
17 mol 238 unq 0 iso 0 dist 9.13537 6.16476 5.38637 9.01016 5.42006 6.55759 16.3834 11.4704 13.9044 7.64276 numMergedOcc 0
18 mol 238 unq 1 iso 0 dist 9.66555 8.92175 7.49471 11.6545 5.34096 7.19008 5.12308 4.87108 5.61491 7.64276 numMergedOcc 0
19 mol 238 unq 2 iso 0 dist 8.67205 5.94371 7.49471 11.1363 5.34096 7.19008 4.29839 4.87108 5.61491 7.64276 numMergedOcc 0
20 mol 249 unq 0 iso 0 dist 6.37672 10.4294 8.83735 12.8391 8.34718 8.96876 12.2617 11.455 6.94174 7.72708 numMergedOcc 0
21 mol 249 unq 1 iso 0 dist 8.94023 9.10124 8.83735 12.9036 8.34718 8.96876 9.72896 11.455 6.94174 7.72708 numMergedOcc 0
22 mol 272 unq 0 iso 0 dist 9.96394 5.98845 6.73206 13.3211 5.40809 9.09992 18.8714 12.3168 13.7563 7.31993 numMergedOcc 0
