0 mol 0 unq 0 iso 0 dist 7.96742 6.8892 9.53992 5.55156 11.962 5.85361 7.1599 15.0192 11.788 7.15528 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 7.19397 6.8892 11.5675 5.55156 6.83587 5.85361 7.1599 7.19621 11.788 7.15528 numMergedOcc 0
2 mol 7 unq 0 iso 0 dist 8.41173 7.38748 10.1841 6.22892 6.3027 5.0893 7.15287 13.8674 6.8464 8.41585 numMergedOcc 0
3 mol 7 unq 1 iso 0 dist 8.14952 9.02869 8.4061 5.83658 4.92824 5.37308 10.826 13.7022 12.421 9.60499 numMergedOcc 0
4 mol 19 unq 0 iso 0 dist 9.3147 8.75001 10.2713 7.84393 10.5285 12.48 9.01721 13.1233 17.1733 7.82074 numMergedOcc 0
5 mol 19 unq 1 iso 0 dist 9.79426 8.75001 12.053 7.84393 9.84922 12.48 9.01721 13.8602 17.1733 7.82074 numMergedOcc 0
6 mol 64 unq 0 iso 0 dist 9.3473 8.86433 12.8692 9.10915 9.82646 14.8927 9.73304 16.6744 16.8033 9.67592 numMergedOcc 0
7 mol 64 unq 1 iso 0 dist 6.08228 5.66803 5.88036 5.54343 5.33496 5.9853 5.59762 11.6303 9.21546 9.67592 numMergedOcc 0
8 mol 112 unq 0 iso 0 dist 9.42175 9.42014 5.44978 5.81552 9.60908 6.29923 10.626 14.3405 12.9747 9.60462 numMergedOcc 0
9 mol 112 unq 1 iso 0 dist 9.42175 9.42014 5.44978 5.81552 9.60908 6.29923 5.27363 13.2326 12.5126 7.45389 numMergedOcc 0
10 mol 127 unq 0 iso 0 dist 8.98151 5.83719 8.21735 6.65963 5.38 4.98711 10.345 12.4667 11.2815 8.14887 numMergedOcc 0
11 mol 127 unq 1 iso 0 dist 8.98151 5.83719 8.21735 8.62711 6.75619 11.2447 10.345 12.4667 11.2815 9.30299 numMergedOcc 0
12 mol 143 unq 0 iso 0 dist 6.68364 6.87456 7.87375 5.30872 5.4432 8.03483 6.3915 9.32441 12.5106 5.99315 numMergedOcc 0
13 mol 181 unq 0 iso 0 dist 6.47689 8.92801 7.11585 9.63295 5.16386 9.40823 12.5935 11.5992 12.8027 7.63312 numMergedOcc 0
14 mol 181 unq 1 iso 0 dist 6.47689 9.40718 5.15002 9.63295 5.16386 5.32364 12.5935 11.5992 11.9989 7.63312 numMergedOcc 0
15 mol 220 unq 0 iso 0 dist 7.86207 9.89039 9.09963 8.9077 4.90657 13.6952 10.6943 9.8711 15.6403 9.23153 numMergedOcc 0
16 mol 220 unq 1 iso 0 dist 7.86207 9.89039 9.09963 8.9077 4.90657 13.6952 15.396 12.6756 21.5268 8.24498 numMergedOcc 0
17 mol 220 unq 2 iso 0 dist 7.86207 8.57174 14.3078 8.9077 4.90657 13.8822 10.6943 9.8711 18.2814 9.23153 numMergedOcc 0
18 mol 220 unq 3 iso 0 dist 7.86207 8.57174 14.3078 8.9077 4.90657 13.8822 15.396 12.6756 19.4468 8.24498 numMergedOcc 0
19 mol 223 unq 0 iso 0 dist 9.29204 6.97426 4.73988 9.94212 18.385 15.9255 11.4946 18.8401 18.1661 8.77153 numMergedOcc 0
20 mol 223 unq 1 iso 0 dist 9.29204 6.97426 4.73988 9.94212 18.385 15.9255 13.1422 22.2602 19.8848 8.6166 numMergedOcc 0
21 mol 223 unq 2 iso 0 dist 9.29204 8.87456 8.36102 9.94212 18.385 17.7343 11.4946 18.8401 20.1459 8.77153 numMergedOcc 0
22 mol 223 unq 3 iso 0 dist 9.29204 8.87456 8.36102 9.94212 18.385 17.7343 13.1422 22.2602 20.15 8.6166 numMergedOcc 0
23 mol 223 unq 4 iso 0 dist 9.14789 6.97426 4.78255 9.94212 19.0281 15.9255 11.4946 19.381 18.1661 8.77153 numMergedOcc 0
24 mol 223 unq 5 iso 0 dist 9.14789 6.97426 4.78255 9.94212 19.0281 15.9255 13.1422 21.4312 19.8848 8.6166 numMergedOcc 0
25 mol 223 unq 6 iso 0 dist 9.14789 8.87456 5.43913 9.94212 19.0281 17.7343 11.4946 19.381 20.1459 8.77153 numMergedOcc 0
26 mol 223 unq 7 iso 0 dist 9.14789 8.87456 5.43913 9.94212 19.0281 17.7343 13.1422 21.4312 20.15 8.6166 numMergedOcc 0
27 mol 223 unq 8 iso 0 dist 7.80764 6.97426 12.6805 9.94212 4.67731 15.9255 11.4946 12.0111 18.1661 8.77153 numMergedOcc 0
28 mol 223 unq 9 iso 0 dist 7.80764 6.97426 12.6805 9.94212 4.67731 15.9255 13.1422 10.6785 19.8848 8.6166 numMergedOcc 0
29 mol 223 unq 10 iso 0 dist 7.80764 8.87456 13.9763 9.94212 4.67731 17.7343 11.4946 12.0111 20.1459 8.77153 numMergedOcc 0
30 mol 223 unq 11 iso 0 dist 7.80764 8.87456 13.9763 9.94212 4.67731 17.7343 13.1422 10.6785 20.15 8.6166 numMergedOcc 0
31 mol 223 unq 12 iso 0 dist 5.75896 6.97426 10.6184 9.94212 7.19485 15.9255 11.4946 9.5211 18.1661 8.77153 numMergedOcc 0
32 mol 223 unq 13 iso 0 dist 5.75896 6.97426 10.6184 9.94212 7.19485 15.9255 13.1422 13.3416 19.8848 8.6166 numMergedOcc 0
33 mol 223 unq 14 iso 0 dist 5.75896 8.87456 13.8469 9.94212 7.19485 17.7343 11.4946 9.5211 20.1459 8.77153 numMergedOcc 0
34 mol 223 unq 15 iso 0 dist 5.75896 8.87456 13.8469 9.94212 7.19485 17.7343 13.1422 13.3416 20.15 8.6166 numMergedOcc 0
35 mol 229 unq 0 iso 0 dist 8.36396 7.48693 5.52342 8.0007 11.2438 8.75723 5.29674 12.1937 12.494 9.87838 numMergedOcc 0
36 mol 230 unq 0 iso 0 dist 6.88683 9.24729 11.0843 8.33847 6.87235 12.2372 7.37154 11.1105 12.8799 6.7547 numMergedOcc 0
37 mol 236 unq 0 iso 0 dist 9.13126 4.71683 8.3795 6.73134 6.0258 7.41812 5.52669 9.10613 9.44496 8.04248 numMergedOcc 0
38 mol 236 unq 1 iso 0 dist 9.13126 4.71683 8.3795 6.73134 6.0258 7.41812 5.27568 12.9448 9.13551 8.35971 numMergedOcc 0
39 mol 239 unq 0 iso 0 dist 8.34832 8.48545 14.2079 9.27989 11.4465 13.3838 12.1502 15.8376 17.0305 6.16342 numMergedOcc 0
40 mol 241 unq 0 iso 0 dist 9.174 7.26758 10.9643 6.40592 4.86437 7.3737 7.93809 9.72526 12.8359 7.4631 numMergedOcc 0
41 mol 258 unq 0 iso 0 dist 6.08181 8.10903 10.8957 8.81059 13.8694 5.90131 9.78068 15.2652 9.04358 6.42289 numMergedOcc 0
42 mol 258 unq 1 iso 0 dist 6.08181 7.25618 11.0025 8.81059 13.8694 4.51422 9.78068 15.2652 10.0455 6.42289 numMergedOcc 0
43 mol 258 unq 2 iso 0 dist 7.70189 8.10903 5.27718 8.81059 9.22664 5.90131 9.78068 8.58088 9.04358 6.42289 numMergedOcc 0
44 mol 258 unq 3 iso 0 dist 7.70189 7.25618 9.46467 8.81059 9.22664 4.51422 9.78068 8.58088 10.0455 6.42289 numMergedOcc 0
45 mol 261 unq 0 iso 0 dist 6.41477 8.88741 10.1876 7.15785 4.50761 6.43209 6.5875 10.2386 7.30472 8.02547 numMergedOcc 0
46 mol 261 unq 1 iso 0 dist 6.41477 8.88741 10.1876 9.43169 8.80293 7.78464 6.5875 10.2386 7.30472 6.05727 numMergedOcc 0
47 mol 261 unq 2 iso 0 dist 9.70222 4.85199 10.6318 7.6414 11.544 4.25662 13.6041 17.2791 12.1908 8.45658 numMergedOcc 0
48 mol 261 unq 3 iso 0 dist 9.70222 9.72159 4.97878 7.6414 11.544 12.864 13.6041 17.2791 20.1172 8.45658 numMergedOcc 0
