0 mol 4 unq 0 iso 0 dist 5.39008 6.10734 5.12621 6.00772 5.93454 9.44013 numMergedOcc 0
1 mol 12 unq 0 iso 0 dist 7.3538 9.44587 8.85246 9.00562 9.7652 16.4151 numMergedOcc 0
2 mol 30 unq 0 iso 0 dist 8.18794 8.94022 5.88946 5.9029 9.81761 11.7632 numMergedOcc 0
3 mol 32 unq 0 iso 0 dist 9.46895 6.19304 12.7517 6.44044 8.07997 8.5315 numMergedOcc 0
4 mol 81 unq 0 iso 0 dist 6.9055 9.87911 5.73842 4.79923 6.42707 11.5503 numMergedOcc 0
5 mol 98 unq 0 iso 0 dist 7.88143 6.04768 12.9271 4.81103 7.67564 7.14031 numMergedOcc 0
6 mol 98 unq 1 iso 0 dist 6.62952 6.04768 12.2431 4.81103 8.60103 7.14031 numMergedOcc 0
7 mol 98 unq 2 iso 0 dist 4.3521 9.40173 12.2431 7.22196 8.60103 7.14031 numMergedOcc 0
8 mol 125 unq 0 iso 0 dist 8.44933 8.2793 6.58625 5.61158 8.74577 6.33431 numMergedOcc 0
9 mol 125 unq 1 iso 0 dist 7.43803 8.2793 6.67445 6.27138 9.94322 6.11502 numMergedOcc 0
10 mol 125 unq 2 iso 0 dist 7.43803 8.2793 6.67445 5.61158 9.7728 6.33431 numMergedOcc 0
11 mol 156 unq 0 iso 0 dist 5.50879 8.32841 5.6621 5.309 8.75305 8.21184 numMergedOcc 0
12 mol 156 unq 1 iso 0 dist 5.50879 8.32841 5.6621 6.07262 5.13522 5.9976 numMergedOcc 0
13 mol 156 unq 2 iso 0 dist 5.50879 6.00295 6.65278 5.309 8.75305 5.41575 numMergedOcc 0
14 mol 156 unq 3 iso 0 dist 5.50879 6.00295 6.65278 6.07262 5.13522 6.86566 numMergedOcc 0
15 mol 156 unq 4 iso 0 dist 6.69157 6.10069 7.27063 11.9245 8.75305 15.1222 numMergedOcc 0
16 mol 156 unq 5 iso 0 dist 6.69157 6.10069 7.27063 6.25291 5.13522 10.4308 numMergedOcc 0
17 mol 156 unq 6 iso 0 dist 6.69157 6.56065 5.6621 11.9245 8.75305 8.21184 numMergedOcc 0
18 mol 156 unq 7 iso 0 dist 6.69157 6.56065 5.6621 6.25291 5.13522 5.9976 numMergedOcc 0
19 mol 162 unq 0 iso 0 dist 9.68937 8.24791 5.81787 10.8108 9.00731 13.3852 numMergedOcc 0
20 mol 162 unq 1 iso 0 dist 9.68937 8.24791 5.81787 12.5317 5.99212 11.3082 numMergedOcc 0
21 mol 162 unq 2 iso 0 dist 6.3981 9.87543 6.27876 7.67095 9.00731 14.0568 numMergedOcc 0
22 mol 162 unq 3 iso 0 dist 6.3981 9.87543 6.27876 8.33986 5.99212 9.7361 numMergedOcc 0
23 mol 186 unq 0 iso 0 dist 7.6409 8.09667 4.93748 5.96605 8.53237 6.21159 numMergedOcc 0
24 mol 193 unq 0 iso 0 dist 8.71993 6.28889 9.08423 12.9817 9.16058 15.9835 numMergedOcc 0
25 mol 203 unq 0 iso 0 dist 7.72215 8.83947 6.40721 5.39235 8.8083 11.7708 numMergedOcc 0
26 mol 210 unq 0 iso 0 dist 8.94889 8.78652 4.36112 14.1634 9.24401 13.2133 numMergedOcc 0
27 mol 210 unq 1 iso 0 dist 8.94889 9.01437 10.7545 14.1634 9.24401 17.7141 numMergedOcc 0
28 mol 226 unq 0 iso 0 dist 8.24741 6.82883 4.66376 4.97624 6.45143 5.70795 numMergedOcc 0
29 mol 226 unq 1 iso 0 dist 8.24741 6.95495 13.3747 4.97624 6.45143 10.3013 numMergedOcc 0
30 mol 226 unq 2 iso 0 dist 5.07958 8.22518 4.66376 5.55393 6.45143 5.70795 numMergedOcc 0
31 mol 226 unq 3 iso 0 dist 6.19519 6.02803 4.66376 9.35407 6.45143 5.70795 numMergedOcc 0
32 mol 238 unq 0 iso 0 dist 5.77828 8.52162 4.04422 5.11183 9.49129 10.6756 numMergedOcc 0
33 mol 238 unq 1 iso 0 dist 5.77828 8.52162 4.04422 6.32646 6.80544 5.92374 numMergedOcc 0
34 mol 255 unq 0 iso 0 dist 7.16286 9.96678 5.92336 9.76349 8.88059 14.747 numMergedOcc 0
35 mol 273 unq 0 iso 0 dist 7.84151 8.16005 11.4694 5.63899 9.16554 7.16346 numMergedOcc 0
36 mol 273 unq 1 iso 0 dist 7.84151 8.16005 11.4694 7.46111 8.83491 14.9622 numMergedOcc 0
37 mol 273 unq 2 iso 0 dist 7.85797 8.16005 4.73332 5.63899 9.65597 7.16346 numMergedOcc 0
38 mol 281 unq 0 iso 0 dist 7.76659 9.81562 5.07985 6.88058 9.48474 13.8365 numMergedOcc 0
39 mol 292 unq 0 iso 0 dist 9.60309 8.18174 5.09064 6.28133 9.5144 11.0315 numMergedOcc 0
