0 mol 43 unq 0 iso 0 dist 8.83248 9.467 5.13123 10.3387 8.84944 10.7067 numMergedOcc 0
1 mol 64 unq 0 iso 0 dist 8.0009 8.81795 8.73619 6.74022 8.52643 11.058 numMergedOcc 0
2 mol 64 unq 1 iso 0 dist 8.0009 8.81795 8.73619 5.42653 9.75299 13.1776 numMergedOcc 0
3 mol 64 unq 2 iso 0 dist 8.91298 8.81795 8.70732 6.74022 5.41357 11.058 numMergedOcc 0
4 mol 64 unq 3 iso 0 dist 8.91298 8.81795 8.70732 5.42653 9.30042 13.1776 numMergedOcc 0
5 mol 67 unq 0 iso 0 dist 6.57749 8.57393 12.2982 9.09097 6.12267 14.7518 numMergedOcc 0
6 mol 67 unq 1 iso 0 dist 6.57749 8.57393 12.2982 7.29064 8.43162 15.8603 numMergedOcc 0
7 mol 103 unq 0 iso 0 dist 5.72494 8.68825 11.8761 5.40051 7.66418 13.4182 numMergedOcc 0
8 mol 103 unq 1 iso 0 dist 8.70106 8.68825 13.2825 5.40051 8.078 13.4182 numMergedOcc 0
9 mol 103 unq 2 iso 0 dist 8.70106 8.68825 13.2825 14.0531 6.56481 17.8758 numMergedOcc 0
10 mol 124 unq 0 iso 0 dist 6.31232 7.87439 10.5562 8.28232 7.18976 11.8954 numMergedOcc 0
11 mol 132 unq 0 iso 0 dist 7.14447 8.2746 8.17517 9.07803 9.39389 15.7222 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 4.46578 8.1716 6.95294 10.008 8.76088 15.3705 numMergedOcc 0
13 mol 148 unq 0 iso 0 dist 8.60157 9.69869 8.92915 6.76353 8.6953 10.8341 numMergedOcc 0
14 mol 148 unq 1 iso 0 dist 8.60157 4.7785 6.43817 6.76353 8.6953 9.21934 numMergedOcc 0
15 mol 148 unq 2 iso 0 dist 6.72591 9.69869 5.27089 6.76353 9.18753 10.8341 numMergedOcc 0
16 mol 148 unq 3 iso 0 dist 6.72591 4.7785 6.16168 6.76353 9.18753 9.21934 numMergedOcc 0
17 mol 150 unq 0 iso 0 dist 8.59359 9.67177 8.91101 6.65519 8.65967 10.6874 numMergedOcc 0
18 mol 150 unq 1 iso 0 dist 8.59359 4.79493 6.48058 6.65519 8.65967 9.13113 numMergedOcc 0
19 mol 150 unq 2 iso 0 dist 6.80192 9.67177 5.24014 6.65519 9.15244 10.6874 numMergedOcc 0
20 mol 150 unq 3 iso 0 dist 6.80192 4.79493 6.14967 6.65519 9.15244 9.13113 numMergedOcc 0
21 mol 157 unq 0 iso 0 dist 6.66184 9.63472 12.5837 7.20013 6.8976 10.4653 numMergedOcc 0
22 mol 168 unq 0 iso 0 dist 9.58783 8.75994 11.6512 11.4343 9.11481 17.4092 numMergedOcc 0
23 mol 168 unq 1 iso 0 dist 9.58783 6.80155 14.1838 11.4343 9.11481 15.206 numMergedOcc 0
24 mol 187 unq 0 iso 0 dist 5.26804 9.25461 8.43209 6.31943 5.58167 12.2628 numMergedOcc 0
25 mol 187 unq 1 iso 0 dist 5.26804 9.25461 8.43209 8.33762 8.0501 12.9656 numMergedOcc 0
26 mol 189 unq 0 iso 0 dist 9.71306 7.17249 13.8163 7.19635 9.95686 14.3276 numMergedOcc 0
27 mol 189 unq 1 iso 0 dist 9.71306 7.17249 13.8163 8.18227 9.47321 10.5796 numMergedOcc 0
28 mol 189 unq 2 iso 0 dist 9.20296 7.17249 8.33972 8.18227 6.38294 10.5796 numMergedOcc 0
29 mol 192 unq 0 iso 0 dist 9.67207 8.15486 14.6227 4.64973 6.2016 11.3924 numMergedOcc 0
30 mol 192 unq 1 iso 0 dist 9.67207 8.15486 14.6227 6.57816 8.3453 13.7334 numMergedOcc 0
31 mol 204 unq 0 iso 0 dist 9.3369 9.76751 11.4333 13.6696 9.90757 20.3678 numMergedOcc 0
32 mol 226 unq 0 iso 0 dist 7.6174 5.61473 7.32691 5.92917 8.74399 10.6648 numMergedOcc 0
33 mol 276 unq 0 iso 0 dist 8.0652 7.3327 14.3341 6.40983 7.60807 13.3082 numMergedOcc 0
34 mol 283 unq 0 iso 0 dist 6.89455 6.87568 4.90822 9.33643 9.28067 10.4968 numMergedOcc 0
35 mol 283 unq 1 iso 0 dist 8.821 6.87568 10.7319 12.3485 9.243 17.2328 numMergedOcc 0
36 mol 283 unq 2 iso 0 dist 9.82337 6.87568 7.05375 9.33643 5.71075 10.4968 numMergedOcc 0
37 mol 283 unq 3 iso 0 dist 8.07626 6.50648 4.90822 6.76599 9.28067 10.4968 numMergedOcc 0
38 mol 283 unq 4 iso 0 dist 6.3448 6.50648 7.05375 6.76599 5.71075 10.4968 numMergedOcc 0
39 mol 287 unq 0 iso 0 dist 9.11602 7.59237 11.6431 7.31462 8.40726 14.301 numMergedOcc 0
40 mol 287 unq 1 iso 0 dist 9.11602 7.59237 11.6431 6.64598 5.15923 10.7771 numMergedOcc 0
41 mol 288 unq 0 iso 0 dist 9.11602 7.59237 11.6431 7.31462 8.40726 14.301 numMergedOcc 0
42 mol 288 unq 1 iso 0 dist 9.11602 7.59237 11.6431 6.64598 5.15923 10.7771 numMergedOcc 0
43 mol 289 unq 0 iso 0 dist 9.11602 7.59237 11.6431 7.31462 8.40726 14.301 numMergedOcc 0
44 mol 289 unq 1 iso 0 dist 9.11602 7.59237 11.6431 6.64598 5.15923 10.7771 numMergedOcc 0
