0 mol 28 unq 0 iso 0 dist 9.77719 6.76158 16.4255 4.3475 9.2146 8.53424 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 9.77719 7.423 16.0765 4.3475 9.2146 7.08766 numMergedOcc 0
2 mol 28 unq 2 iso 0 dist 9.77719 5.89257 13.6412 4.3475 9.2146 4.82199 numMergedOcc 0
3 mol 34 unq 0 iso 0 dist 7.61802 7.32472 12.7313 4.61111 11.9703 4.75881 numMergedOcc 0
4 mol 62 unq 0 iso 0 dist 5.48283 6.0827 3.73834 5.4275 7.16844 4.46067 numMergedOcc 0
5 mol 62 unq 1 iso 0 dist 8.14006 5.23167 5.87787 3.89181 9.7316 4.46067 numMergedOcc 0
6 mol 62 unq 2 iso 0 dist 8.18866 6.0827 6.1737 5.4275 9.24339 4.46067 numMergedOcc 0
7 mol 76 unq 0 iso 0 dist 5.65006 5.61831 3.35924 5.5308 5.45099 7.66068 numMergedOcc 0
8 mol 76 unq 1 iso 0 dist 5.65006 5.61831 3.35924 10.5881 8.44765 9.5043 numMergedOcc 0
9 mol 76 unq 2 iso 0 dist 5.65006 5.61831 3.35924 9.74852 9.06643 8.34132 numMergedOcc 0
10 mol 90 unq 0 iso 0 dist 7.15918 7.30934 5.4118 4.3421 7.62463 5.24346 numMergedOcc 0
11 mol 107 unq 0 iso 0 dist 8.2411 4.99934 5.88785 10.9097 7.91251 8.88124 numMergedOcc 0
12 mol 107 unq 1 iso 0 dist 8.2411 4.99934 5.88785 4.34186 9.09262 8.19484 numMergedOcc 0
13 mol 168 unq 0 iso 0 dist 8.96534 8.47439 14.2042 4.18108 10.4036 5.28353 numMergedOcc 0
14 mol 168 unq 1 iso 0 dist 8.65328 8.47439 10.919 4.18108 7.0961 5.28353 numMergedOcc 0
15 mol 168 unq 2 iso 0 dist 5.69346 8.47439 6.65321 4.18108 6.53038 5.28353 numMergedOcc 0
16 mol 169 unq 0 iso 0 dist 5.87263 6.18165 3.18152 6.5732 7.65903 5.10589 numMergedOcc 0
17 mol 169 unq 1 iso 0 dist 5.87263 6.18165 3.18152 4.14139 5.97653 4.63336 numMergedOcc 0
18 mol 169 unq 2 iso 0 dist 5.87263 6.18165 3.18152 7.73206 7.75523 6.10715 numMergedOcc 0
19 mol 186 unq 0 iso 0 dist 9.56218 7.82717 13.8612 4.32488 13.0271 4.87942 numMergedOcc 0
20 mol 186 unq 1 iso 0 dist 9.56218 8.19926 13.9771 4.32488 13.0271 7.25595 numMergedOcc 0
21 mol 186 unq 2 iso 0 dist 9.56218 8.19926 13.9771 12.1543 18.6235 9.94825 numMergedOcc 0
22 mol 186 unq 3 iso 0 dist 8.30899 7.82717 12.9254 4.32488 11.9623 4.87942 numMergedOcc 0
23 mol 186 unq 4 iso 0 dist 8.30899 8.19926 11.6544 4.32488 11.9623 7.25595 numMergedOcc 0
24 mol 186 unq 5 iso 0 dist 8.30899 8.19926 11.6544 12.1543 15.5433 9.94825 numMergedOcc 0
25 mol 220 unq 0 iso 0 dist 6.05978 6.18239 3.52598 3.52029 6.31365 7.83056 numMergedOcc 0
26 mol 225 unq 0 iso 0 dist 4.58113 6.15671 5.31124 8.58432 10.6109 9.54529 numMergedOcc 0
27 mol 225 unq 1 iso 0 dist 9.48525 7.22151 12.315 3.64687 11.3832 9.54529 numMergedOcc 0
28 mol 243 unq 0 iso 0 dist 7.42359 8.35328 7.66826 6.56644 9.53137 4.55853 numMergedOcc 0
29 mol 260 unq 0 iso 0 dist 6.54521 7.22473 7.35802 7.91474 7.49606 8.62655 numMergedOcc 0
30 mol 260 unq 1 iso 0 dist 6.54521 6.02628 9.94995 5.30931 11.5762 7.04263 numMergedOcc 0
31 mol 260 unq 2 iso 0 dist 7.97307 7.13397 8.04546 4.38276 11.8771 8.62655 numMergedOcc 0
32 mol 260 unq 3 iso 0 dist 7.97307 5.33278 3.68866 8.90225 8.51564 6.48099 numMergedOcc 0
33 mol 260 unq 4 iso 0 dist 8.52702 7.13397 15.6308 4.38276 9.73217 8.62655 numMergedOcc 0
34 mol 260 unq 5 iso 0 dist 8.52702 5.33278 10.6938 8.90225 14.3252 6.48099 numMergedOcc 0
35 mol 266 unq 0 iso 0 dist 6.61768 6.9943 3.68488 4.58167 8.20376 6.96692 numMergedOcc 0
36 mol 266 unq 1 iso 0 dist 6.61768 7.36685 3.14784 7.98379 7.72861 7.8598 numMergedOcc 0
37 mol 266 unq 2 iso 0 dist 6.61768 7.36685 3.14784 4.58167 8.20376 8.25286 numMergedOcc 0
38 mol 266 unq 3 iso 0 dist 6.61768 9.03099 5.95721 7.98379 7.72861 7.80711 numMergedOcc 0
39 mol 266 unq 4 iso 0 dist 6.61768 9.03099 5.95721 4.58167 8.20376 9.9965 numMergedOcc 0
40 mol 277 unq 0 iso 0 dist 8.20902 7.34927 10.5214 9.69757 5.13533 7.98956 numMergedOcc 0
41 mol 277 unq 1 iso 0 dist 8.20902 7.34927 10.5214 10.2113 8.0969 5.86185 numMergedOcc 0
42 mol 277 unq 2 iso 0 dist 8.20902 7.34927 10.5214 8.92993 14.9526 6.79748 numMergedOcc 0
