0 mol 45 unq 0 iso 0 dist 9.17045 10.9036 6.99408 14.9722 6.11102 9.3403 15.5531 8.26635 7.21995 5.05051 numMergedOcc 0
1 mol 45 unq 1 iso 0 dist 9.17045 10.9036 6.99408 14.9722 6.11102 9.3403 19.2824 13.4503 9.62637 10.6148 numMergedOcc 0
2 mol 45 unq 2 iso 0 dist 6.32012 5.19805 6.99408 10.308 6.11102 9.3403 10.5379 8.26635 7.21995 5.05051 numMergedOcc 0
3 mol 45 unq 3 iso 0 dist 6.32012 5.19805 6.99408 10.308 6.11102 9.3403 14.0326 13.4503 9.62637 10.6148 numMergedOcc 0
4 mol 70 unq 0 iso 0 dist 7.63663 14.4842 7.92394 12.2091 5.22626 8.33704 15.0885 8.34216 9.48582 6.50609 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 6.10011 10.0721 5.64598 10.1112 7.4697 8.70133 13.2119 8.44406 7.10439 5.11416 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 6.10011 10.0721 5.64598 8.124 5.7113 4.65521 13.2119 8.44406 7.10439 6.56633 numMergedOcc 0
7 mol 73 unq 2 iso 0 dist 8.124 10.0721 4.65521 10.1112 5.4148 8.70133 13.2119 6.56633 7.10439 5.11416 numMergedOcc 0
8 mol 73 unq 3 iso 0 dist 8.124 10.0721 4.65521 6.10011 5.7113 5.64598 13.2119 6.56633 7.10439 8.44406 numMergedOcc 0
9 mol 76 unq 0 iso 0 dist 8.41567 7.5192 6.21982 5.56964 10.2879 8.19682 4.73362 4.85247 7.03226 6.45686 numMergedOcc 0
10 mol 76 unq 1 iso 0 dist 5.56964 7.5192 8.19682 8.41567 10.2879 6.21982 4.73362 6.45686 7.03226 4.85247 numMergedOcc 0
11 mol 76 unq 2 iso 0 dist 6.62246 9.82998 6.21982 12.885 10.2879 8.19682 7.3795 4.85247 7.03226 6.45686 numMergedOcc 0
12 mol 119 unq 0 iso 0 dist 8.88255 10.06 9.63176 12.7943 11.6667 7.39889 15.3387 15.5019 7.26955 5.92984 numMergedOcc 0
13 mol 119 unq 1 iso 0 dist 8.88255 10.06 9.63176 16.6272 12.4603 7.44174 15.3387 15.5019 7.26955 10.314 numMergedOcc 0
14 mol 134 unq 0 iso 0 dist 7.27598 7.26771 5.42582 12.3933 5.49782 8.79571 9.95528 5.29786 8.73604 4.57832 numMergedOcc 0
15 mol 134 unq 1 iso 0 dist 7.27598 7.26771 5.42582 5.57904 5.00817 8.6355 9.95528 5.29786 8.73604 5.71679 numMergedOcc 0
16 mol 134 unq 2 iso 0 dist 5.57904 7.26771 8.6355 12.3933 8.80819 8.79571 9.95528 5.71679 8.73604 4.57832 numMergedOcc 0
17 mol 134 unq 3 iso 0 dist 5.57904 7.26771 8.6355 7.27598 5.00817 5.42582 9.95528 5.71679 8.73604 5.29786 numMergedOcc 0
18 mol 134 unq 4 iso 0 dist 6.54987 6.63186 7.77454 10.9185 7.93571 8.94837 11.45 11.147 6.93279 14.2198 numMergedOcc 0
19 mol 140 unq 0 iso 0 dist 9.68229 5.35291 6.95323 12.1011 6.43459 7.27371 10.2706 5.64422 8.60108 7.3833 numMergedOcc 0
20 mol 141 unq 0 iso 0 dist 7.34465 11.9359 6.93652 12.54 5.67306 9.54444 13.2114 7.42649 5.26989 8.39549 numMergedOcc 0
21 mol 141 unq 1 iso 0 dist 7.34465 11.9359 6.93652 12.54 5.67306 9.54444 17.7174 10.6531 7.76442 8.43221 numMergedOcc 0
22 mol 227 unq 0 iso 0 dist 9.60159 7.35206 8.17891 12.0857 5.22356 6.95902 11.7218 10.9607 7.57454 9.72615 numMergedOcc 0
23 mol 232 unq 0 iso 0 dist 8.89211 6.12197 7.07392 11.7774 4.96364 9.62952 6.71099 6.2188 7.10413 6.09015 numMergedOcc 0
24 mol 256 unq 0 iso 0 dist 5.98967 6.25507 5.24676 13.8383 9.92128 8.09363 9.94144 5.28793 7.48269 10.134 numMergedOcc 0
25 mol 256 unq 1 iso 0 dist 5.98967 6.25507 5.24676 13.8383 9.92128 8.09363 10.4523 4.99672 6.71249 5.94495 numMergedOcc 0
26 mol 256 unq 2 iso 0 dist 5.98967 6.25507 5.24676 13.8383 9.92128 8.09363 9.31961 7.7384 9.18903 11.0837 numMergedOcc 0
27 mol 259 unq 0 iso 0 dist 8.57619 5.4536 8.37865 10.367 12.5353 7.48005 12.8164 8.75685 8.71497 8.81835 numMergedOcc 0
