0 mol 10 unq 0 iso 0 dist 8.44864 15.2726 9.88507 5.94361 5.59965 11.04 numMergedOcc 0
1 mol 12 unq 0 iso 0 dist 9.25493 8.18351 9.52857 5.97178 5.76024 10.1802 numMergedOcc 0
2 mol 12 unq 1 iso 0 dist 9.25493 8.18351 9.52857 10.229 7.92714 11.8349 numMergedOcc 0
3 mol 12 unq 2 iso 0 dist 9.25493 8.18351 9.52857 7.00379 8.47217 13.1322 numMergedOcc 0
4 mol 15 unq 0 iso 0 dist 5.19544 8.9488 8.37378 8.80394 6.03257 7.11548 numMergedOcc 0
5 mol 26 unq 0 iso 0 dist 9.32718 9.236 5.56687 4.03003 6.93197 6.76331 numMergedOcc 0
6 mol 79 unq 0 iso 0 dist 8.17655 4.95628 5.72627 4.32712 8.03296 4.39227 numMergedOcc 0
7 mol 79 unq 1 iso 0 dist 8.17655 4.95628 5.72627 11.1935 9.26979 8.32896 numMergedOcc 0
8 mol 79 unq 2 iso 0 dist 6.47416 4.95628 7.68741 4.32712 5.82754 4.39227 numMergedOcc 0
9 mol 79 unq 3 iso 0 dist 6.47416 4.95628 7.68741 11.1935 9.05679 8.32896 numMergedOcc 0
10 mol 79 unq 4 iso 0 dist 9.78129 4.25306 5.72627 6.04442 8.03296 4.39227 numMergedOcc 0
11 mol 79 unq 5 iso 0 dist 9.78129 4.25306 5.72627 11.2226 9.26979 8.32896 numMergedOcc 0
12 mol 93 unq 0 iso 0 dist 7.4518 13.8263 9.52206 14.4094 8.89417 7.00155 numMergedOcc 0
13 mol 93 unq 1 iso 0 dist 7.4518 13.8263 9.52206 9.73718 9.95255 9.45154 numMergedOcc 0
14 mol 93 unq 2 iso 0 dist 7.4518 4.1947 8.69945 14.4094 8.89417 14.3423 numMergedOcc 0
15 mol 93 unq 3 iso 0 dist 7.4518 4.1947 8.69945 9.73718 9.95255 8.76259 numMergedOcc 0
16 mol 114 unq 0 iso 0 dist 8.27794 15.6662 8.55826 14.0508 8.42878 5.78064 numMergedOcc 0
17 mol 114 unq 1 iso 0 dist 7.48533 9.38895 9.58855 3.88006 8.42878 9.72019 numMergedOcc 0
18 mol 181 unq 0 iso 0 dist 6.95568 3.97959 8.90567 10.453 8.86197 8.96857 numMergedOcc 0
19 mol 181 unq 1 iso 0 dist 6.95568 3.97959 8.90567 3.97538 5.94379 6.03835 numMergedOcc 0
20 mol 181 unq 2 iso 0 dist 9.07527 12.93 9.2933 10.0344 7.22883 5.10499 numMergedOcc 0
21 mol 186 unq 0 iso 0 dist 7.58256 8.81064 6.58212 5.98598 6.21159 10.8189 numMergedOcc 0
22 mol 220 unq 0 iso 0 dist 6.32097 4.74145 5.75839 6.5238 9.73541 9.70769 numMergedOcc 0
23 mol 249 unq 0 iso 0 dist 6.58109 13.8732 9.58168 6.02223 5.9627 9.38829 numMergedOcc 0
24 mol 273 unq 0 iso 0 dist 6.38341 3.92089 9.16554 7.55971 7.16346 11.4694 numMergedOcc 0
25 mol 273 unq 1 iso 0 dist 6.38341 9.51983 9.65597 7.55971 7.16346 4.73332 numMergedOcc 0
