0 mol 1 unq 0 iso 0 dist 8.61411 5.21705 7.68226 11.3766 7.29854 6.86701 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 6.76332 3.96333 5.18338 8.46229 5.41626 8.30653 numMergedOcc 0
2 mol 30 unq 0 iso 0 dist 8.64082 3.65941 5.36413 9.44073 5.17518 6.07517 numMergedOcc 0
3 mol 30 unq 1 iso 0 dist 8.64082 3.65941 5.36413 8.609 7.18789 6.74179 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 7.75667 8.8955 8.03914 15.1614 12.1132 6.66407 numMergedOcc 0
5 mol 53 unq 0 iso 0 dist 9.33754 7.45484 9.31516 14.6159 14.9509 7.28228 numMergedOcc 0
6 mol 68 unq 0 iso 0 dist 6.88786 6.56256 6.37273 14.0352 8.66168 9.8703 numMergedOcc 0
7 mol 68 unq 1 iso 0 dist 6.88786 6.56256 6.37273 7.51075 7.1369 7.39665 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 6.36178 3.37815 5.79157 10.4035 5.72472 8.72682 numMergedOcc 0
9 mol 73 unq 1 iso 0 dist 6.36178 10.0381 7.91605 9.15467 6.71593 5.5087 numMergedOcc 0
10 mol 73 unq 2 iso 0 dist 6.36178 10.0381 7.91605 10.4035 5.72472 5.61588 numMergedOcc 0
11 mol 73 unq 3 iso 0 dist 6.36178 5.09707 6.43707 9.15467 6.71593 6.08682 numMergedOcc 0
12 mol 73 unq 4 iso 0 dist 6.36178 5.09707 6.43707 10.4035 5.72472 7.83244 numMergedOcc 0
13 mol 89 unq 0 iso 0 dist 7.24906 9.35696 8.68698 13.2721 10.5385 6.53308 numMergedOcc 0
14 mol 92 unq 0 iso 0 dist 6.78043 7.18067 8.67475 13.8155 10.7572 8.3773 numMergedOcc 0
15 mol 92 unq 1 iso 0 dist 5.74364 5.74315 8.67475 11.8917 10.7572 8.3773 numMergedOcc 0
16 mol 110 unq 0 iso 0 dist 6.70591 10.3414 9.24252 16.4838 12.3557 8.49678 numMergedOcc 0
17 mol 110 unq 1 iso 0 dist 5.43052 10.3403 9.24252 16.235 12.3557 8.49678 numMergedOcc 0
18 mol 119 unq 0 iso 0 dist 9.2167 3.74723 6.39945 13.3373 5.90895 9.77575 numMergedOcc 0
19 mol 119 unq 1 iso 0 dist 6.67306 3.74723 7.14258 13.3373 12.9965 9.77575 numMergedOcc 0
20 mol 139 unq 0 iso 0 dist 9.99665 11.247 9.07404 13.5702 10.3273 5.80789 numMergedOcc 0
21 mol 139 unq 1 iso 0 dist 8.27507 4.37138 9.07404 6.34417 10.3273 5.80789 numMergedOcc 0
22 mol 162 unq 0 iso 0 dist 8.77869 13.5522 9.95076 15.3517 8.35998 7.37333 numMergedOcc 0
23 mol 162 unq 1 iso 0 dist 8.77869 12.6287 7.76112 15.3517 8.35998 7.45998 numMergedOcc 0
24 mol 186 unq 0 iso 0 dist 9.71223 3.6848 9.82338 8.96988 9.653 8.90571 numMergedOcc 0
25 mol 186 unq 1 iso 0 dist 9.71223 3.6848 9.82338 9.44405 10.568 6.61112 numMergedOcc 0
26 mol 207 unq 0 iso 0 dist 9.05505 6.29106 8.72885 10.0544 6.93784 5.12567 numMergedOcc 0
27 mol 218 unq 0 iso 0 dist 6.2441 3.5359 8.38813 7.0843 9.92743 8.75536 numMergedOcc 0
28 mol 218 unq 1 iso 0 dist 6.2441 3.5359 8.38813 7.73315 12.0573 7.33709 numMergedOcc 0
29 mol 218 unq 2 iso 0 dist 6.2441 3.5359 8.38813 6.9398 8.31343 6.67404 numMergedOcc 0
30 mol 219 unq 0 iso 0 dist 9.52151 7.79138 8.38773 10.5566 10.0509 4.33238 numMergedOcc 0
31 mol 219 unq 1 iso 0 dist 9.52151 7.79138 8.38773 9.97512 5.48556 7.83604 numMergedOcc 0
32 mol 222 unq 0 iso 0 dist 6.74371 7.07952 5.07975 11.3549 5.66819 5.56538 numMergedOcc 0
33 mol 222 unq 1 iso 0 dist 6.74371 4.6646 4.85015 11.3549 5.66819 7.48954 numMergedOcc 0
34 mol 235 unq 0 iso 0 dist 6.44932 4.46929 8.31344 10.3464 15.2767 8.19317 numMergedOcc 0
35 mol 235 unq 1 iso 0 dist 6.44932 4.46929 8.31344 9.4144 11.9322 5.1823 numMergedOcc 0
36 mol 243 unq 0 iso 0 dist 9.19579 6.76489 8.07313 12.6762 5.14134 8.69318 numMergedOcc 0
37 mol 243 unq 1 iso 0 dist 8.89116 7.64134 7.89993 16.0615 12.7467 8.67156 numMergedOcc 0
38 mol 243 unq 2 iso 0 dist 8.28364 10.4256 7.89993 16.5515 12.7467 8.67156 numMergedOcc 0
39 mol 257 unq 0 iso 0 dist 9.02271 9.80762 5.81865 12.0446 5.86413 8.83833 numMergedOcc 0
40 mol 273 unq 0 iso 0 dist 8.78928 13.255 5.63226 16.1263 9.45651 6.31969 numMergedOcc 0
41 mol 273 unq 1 iso 0 dist 9.12505 15.359 9.45329 16.632 7.52275 9.59325 numMergedOcc 0
42 mol 292 unq 0 iso 0 dist 8.92332 12.7808 6.79765 18.4389 9.91235 9.74118 numMergedOcc 0
43 mol 292 unq 1 iso 0 dist 8.92332 9.55943 6.13272 10.9895 12.9146 9.46442 numMergedOcc 0
44 mol 292 unq 2 iso 0 dist 8.92332 6.65781 7.02679 5.75596 13.9754 9.9182 numMergedOcc 0
45 mol 292 unq 3 iso 0 dist 8.92332 6.65781 7.02679 10.9895 12.9146 7.30758 numMergedOcc 0
46 mol 292 unq 4 iso 0 dist 8.92332 6.65781 7.02679 8.37867 5.4258 9.10788 numMergedOcc 0
47 mol 292 unq 5 iso 0 dist 8.92332 4.00064 9.08889 5.75596 13.9754 8.9221 numMergedOcc 0
48 mol 292 unq 6 iso 0 dist 8.92332 4.00064 9.08889 8.37867 5.4258 8.85064 numMergedOcc 0
