0 mol 21 unq 0 iso 0 dist 6.77108 8.07673 5.14485 4.09637 8.60289 11.5507 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 9.67696 9.74777 7.02381 4.89927 8.00171 11.4816 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 8.12171 7.63824 4.11146 7.1011 8.00171 10.0586 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 8.12171 7.63824 4.11146 11.6096 5.95834 5.9372 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 8.12171 7.63824 4.11146 10.8208 4.2121 6.93597 numMergedOcc 0
5 mol 24 unq 4 iso 0 dist 8.12171 7.63824 4.11146 13.3998 6.72323 10.716 numMergedOcc 0
6 mol 48 unq 0 iso 0 dist 8.31952 9.48328 10.8889 16.2911 8.19993 16.5041 numMergedOcc 0
7 mol 48 unq 1 iso 0 dist 9.05101 9.90731 3.83785 4.28801 9.49774 11.499 numMergedOcc 0
8 mol 85 unq 0 iso 0 dist 5.99046 8.15861 11.3242 4.32784 9.66222 8.04853 numMergedOcc 0
9 mol 85 unq 1 iso 0 dist 5.99046 9.27814 8.44 4.32784 9.66222 10.3185 numMergedOcc 0
10 mol 91 unq 0 iso 0 dist 4.86532 7.09177 5.21888 5.75219 8.66165 9.97813 numMergedOcc 0
11 mol 93 unq 0 iso 0 dist 7.24843 8.23294 5.01255 4.39585 8.74378 10.6633 numMergedOcc 0
12 mol 93 unq 1 iso 0 dist 7.24843 8.2702 9.11323 4.39585 8.74378 12.3732 numMergedOcc 0
13 mol 93 unq 2 iso 0 dist 7.63783 8.23294 8.98901 4.39585 8.89417 10.6633 numMergedOcc 0
14 mol 93 unq 3 iso 0 dist 7.63783 8.23294 8.98901 12.2294 9.95255 15.5723 numMergedOcc 0
15 mol 93 unq 4 iso 0 dist 7.63783 8.2702 8.52329 4.39585 8.89417 12.3732 numMergedOcc 0
16 mol 93 unq 5 iso 0 dist 7.63783 8.2702 8.52329 12.2294 9.95255 17.663 numMergedOcc 0
17 mol 141 unq 0 iso 0 dist 6.93424 8.14978 3.80763 12.0582 6.75376 9.59109 numMergedOcc 0
18 mol 141 unq 1 iso 0 dist 6.8891 8.14978 9.98068 12.0582 9.10042 9.59109 numMergedOcc 0
19 mol 141 unq 2 iso 0 dist 6.8891 8.14978 9.98068 13.5187 9.75059 13.5458 numMergedOcc 0
20 mol 141 unq 3 iso 0 dist 6.8891 8.14978 9.98068 10.0354 6.83404 15.8537 numMergedOcc 0
21 mol 181 unq 0 iso 0 dist 9.0234 7.24832 3.63671 12.116 9.92471 12.4791 numMergedOcc 0
22 mol 184 unq 0 iso 0 dist 9.13228 7.42696 12.8344 13.8418 7.54099 15.5228 numMergedOcc 0
23 mol 184 unq 1 iso 0 dist 9.13228 5.86468 6.04545 13.8418 7.54099 13.0767 numMergedOcc 0
24 mol 184 unq 2 iso 0 dist 9.13228 8.73302 4.12242 13.8418 7.54099 7.02762 numMergedOcc 0
25 mol 194 unq 0 iso 0 dist 7.71806 4.55528 3.7326 12.1101 6.1886 8.13022 numMergedOcc 0
26 mol 194 unq 1 iso 0 dist 7.71806 4.42095 7.29209 12.1101 6.1886 9.82667 numMergedOcc 0
27 mol 238 unq 0 iso 0 dist 8.60978 9.31268 12.856 12.1252 5.92374 11.9026 numMergedOcc 0
28 mol 256 unq 0 iso 0 dist 7.36908 4.65358 7.27053 7.49849 4.98734 9.23909 numMergedOcc 0
29 mol 256 unq 1 iso 0 dist 7.36908 4.65358 7.27053 9.92311 6.37963 9.66515 numMergedOcc 0
30 mol 256 unq 2 iso 0 dist 7.36908 4.65358 7.27053 7.27553 8.16803 10.8954 numMergedOcc 0
31 mol 256 unq 3 iso 0 dist 7.36908 8.45584 5.51548 7.49849 4.98734 10.1976 numMergedOcc 0
32 mol 256 unq 4 iso 0 dist 7.36908 8.45584 5.51548 9.92311 6.37963 11.0079 numMergedOcc 0
33 mol 256 unq 5 iso 0 dist 7.36908 8.45584 5.51548 7.27553 8.16803 10.3654 numMergedOcc 0
34 mol 256 unq 6 iso 0 dist 5.2801 4.65358 4.26681 7.49849 6.33496 9.23909 numMergedOcc 0
35 mol 256 unq 7 iso 0 dist 5.2801 4.65358 4.26681 9.92311 6.00636 9.66515 numMergedOcc 0
36 mol 256 unq 8 iso 0 dist 5.2801 4.65358 4.26681 5.91322 7.81448 9.16597 numMergedOcc 0
37 mol 256 unq 9 iso 0 dist 5.2801 4.65358 4.26681 5.49322 8.54499 9.90798 numMergedOcc 0
38 mol 256 unq 10 iso 0 dist 5.2801 8.45584 8.69512 7.49849 6.33496 10.1976 numMergedOcc 0
39 mol 256 unq 11 iso 0 dist 5.2801 8.45584 8.69512 9.92311 6.00636 11.0079 numMergedOcc 0
40 mol 256 unq 12 iso 0 dist 5.2801 8.45584 8.69512 5.91322 7.81448 14.2144 numMergedOcc 0
41 mol 256 unq 13 iso 0 dist 5.2801 8.45584 8.69512 5.49322 8.54499 13.0424 numMergedOcc 0
