0 mol 12 unq 0 iso 0 dist 9.1301 6.06519 7.92714 13.9591 6.55567 9.8142 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 8.12171 11.6096 5.95834 7.63824 4.11146 5.9372 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 8.12171 11.6096 5.95834 12.2411 7.83331 8.17583 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 8.12171 10.8208 4.2121 13.8626 6.22954 7.03544 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 8.12171 10.8208 4.2121 7.63824 4.11146 6.93597 numMergedOcc 0
5 mol 24 unq 4 iso 0 dist 8.12171 13.3998 6.72323 19.8341 12.2839 7.85986 numMergedOcc 0
6 mol 24 unq 5 iso 0 dist 8.12171 13.3998 6.72323 13.8626 6.22954 4.30252 numMergedOcc 0
7 mol 48 unq 0 iso 0 dist 8.58319 16.5457 8.29857 14.3905 6.17529 6.28603 numMergedOcc 0
8 mol 48 unq 1 iso 0 dist 8.58319 16.5457 8.29857 17.5144 9.78584 8.80303 numMergedOcc 0
9 mol 48 unq 2 iso 0 dist 8.58319 16.5457 8.29857 19.0277 11.505 7.11491 numMergedOcc 0
10 mol 48 unq 3 iso 0 dist 8.31952 16.2911 8.19993 14.2624 6.30002 5.73454 numMergedOcc 0
11 mol 48 unq 4 iso 0 dist 8.31952 16.2911 8.19993 17.1896 9.72383 8.2012 numMergedOcc 0
12 mol 48 unq 5 iso 0 dist 8.31952 16.2911 8.19993 18.6696 11.5388 7.1829 numMergedOcc 0
13 mol 54 unq 0 iso 0 dist 6.54052 11.754 9.17082 12.9368 10.1455 8.75957 numMergedOcc 0
14 mol 79 unq 0 iso 0 dist 6.9297 12.6241 9.78384 18.0463 13.2204 7.56495 numMergedOcc 0
15 mol 79 unq 1 iso 0 dist 6.9297 12.6241 9.78384 16.7534 10.8598 7.63923 numMergedOcc 0
16 mol 79 unq 2 iso 0 dist 6.9297 12.6241 9.78384 12.7824 8.81685 8.23095 numMergedOcc 0
17 mol 85 unq 0 iso 0 dist 5.99046 4.32784 9.66222 8.15861 11.3242 8.04853 numMergedOcc 0
18 mol 85 unq 1 iso 0 dist 5.99046 4.32784 9.66222 10.0423 15.4245 6.46549 numMergedOcc 0
19 mol 91 unq 0 iso 0 dist 4.86532 5.75219 8.66165 7.09177 5.21888 9.97813 numMergedOcc 0
20 mol 113 unq 0 iso 0 dist 9.17878 3.87164 6.6317 10.787 5.40648 9.62952 numMergedOcc 0
21 mol 141 unq 0 iso 0 dist 6.41084 11.939 9.83945 9.66667 3.80087 9.59109 numMergedOcc 0
22 mol 141 unq 1 iso 0 dist 6.93424 12.0582 6.75376 8.14978 3.80763 9.59109 numMergedOcc 0
23 mol 141 unq 2 iso 0 dist 6.8891 12.0582 9.10042 8.14978 9.98068 9.59109 numMergedOcc 0
24 mol 184 unq 0 iso 0 dist 9.13228 13.8418 7.54099 8.73302 4.12242 7.02762 numMergedOcc 0
25 mol 196 unq 0 iso 0 dist 6.23981 7.68725 7.21349 9.91401 5.7225 6.14222 numMergedOcc 0
26 mol 196 unq 1 iso 0 dist 8.27112 11.315 7.21349 12.2436 5.7225 6.14222 numMergedOcc 0
27 mol 196 unq 2 iso 0 dist 8.24718 9.74385 7.21349 12.5 5.7225 6.14222 numMergedOcc 0
28 mol 256 unq 0 iso 0 dist 7.36908 7.49849 4.98734 10.6653 3.70808 6.63831 numMergedOcc 0
29 mol 256 unq 1 iso 0 dist 7.36908 7.49849 4.98734 4.65358 7.27053 9.23909 numMergedOcc 0
30 mol 256 unq 2 iso 0 dist 7.36908 9.92311 6.37963 10.6653 3.70808 8.08629 numMergedOcc 0
31 mol 256 unq 3 iso 0 dist 7.36908 7.27553 8.16803 10.6653 3.70808 9.03979 numMergedOcc 0
32 mol 256 unq 4 iso 0 dist 5.2801 7.49849 6.33496 10.6653 10.03 6.63831 numMergedOcc 0
33 mol 256 unq 5 iso 0 dist 5.2801 7.49849 6.33496 4.65358 4.26681 9.23909 numMergedOcc 0
34 mol 256 unq 6 iso 0 dist 5.2801 9.92311 6.00636 10.6653 10.03 8.08629 numMergedOcc 0
35 mol 256 unq 7 iso 0 dist 5.2801 5.91322 7.81448 4.65358 4.26681 9.16597 numMergedOcc 0
36 mol 277 unq 0 iso 0 dist 9.7625 4.44586 8.20644 10.3226 12.1127 6.23115 numMergedOcc 0
37 mol 280 unq 0 iso 0 dist 9.33975 13.1036 6.73712 17.5674 8.71368 9.47429 numMergedOcc 0
38 mol 280 unq 1 iso 0 dist 7.18775 10.9171 6.73712 12.6659 8.71368 9.47429 numMergedOcc 0
