0 mol 18 unq 0 iso 0 dist 8.02108 6.79099 4.96555 13.1537 12.376 8.51213 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 5.58467 9.15677 7.42841 14.8485 12.6049 7.34549 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 5.58467 9.15677 7.42841 16.9454 13.8862 8.09068 numMergedOcc 0
3 mol 26 unq 2 iso 0 dist 5.58467 9.15677 7.42841 17.4951 13.1542 9.72289 numMergedOcc 0
4 mol 98 unq 0 iso 0 dist 8.43908 6.9538 6.89206 6.24587 8.80424 9.35212 numMergedOcc 0
5 mol 110 unq 0 iso 0 dist 9.35378 6.59361 8.6616 7.35494 15.2279 8.1306 numMergedOcc 0
6 mol 127 unq 0 iso 0 dist 6.46753 9.79448 9.75166 7.11155 9.78409 8.09965 numMergedOcc 0
7 mol 143 unq 0 iso 0 dist 7.94258 6.7319 13.548 6.48668 14.1027 7.39851 numMergedOcc 0
8 mol 175 unq 0 iso 0 dist 7.01007 8.50904 9.78176 9.52671 14.2319 7.94593 numMergedOcc 0
9 mol 178 unq 0 iso 0 dist 8.65373 6.01118 12.4317 7.09944 15.3625 5.41229 numMergedOcc 0
10 mol 178 unq 1 iso 0 dist 8.6561 6.01118 9.99051 7.09944 14.3763 5.41229 numMergedOcc 0
11 mol 178 unq 2 iso 0 dist 9.1197 6.01118 5.13245 7.09944 8.71294 5.41229 numMergedOcc 0
12 mol 186 unq 0 iso 0 dist 9.11273 8.08787 7.9704 9.19336 15.5141 8.8508 numMergedOcc 0
13 mol 210 unq 0 iso 0 dist 8.87835 7.19917 5.82028 8.78987 8.14413 7.86668 numMergedOcc 0
14 mol 210 unq 1 iso 0 dist 8.93859 7.19917 4.62641 8.78987 12.3596 7.86668 numMergedOcc 0
15 mol 220 unq 0 iso 0 dist 4.58449 7.96424 10.7787 10.5016 13.7201 6.93717 numMergedOcc 0
16 mol 220 unq 1 iso 0 dist 7.03223 7.96424 10.48 10.5016 15.792 6.93717 numMergedOcc 0
17 mol 241 unq 0 iso 0 dist 8.99792 8.62971 4.86437 12.263 12.8152 8.18588 numMergedOcc 0
18 mol 261 unq 0 iso 0 dist 8.9569 7.26647 15.1428 6.15322 14.8891 6.85589 numMergedOcc 0
19 mol 261 unq 1 iso 0 dist 8.9569 7.7309 15.7709 6.15322 14.8891 6.68878 numMergedOcc 0
20 mol 265 unq 0 iso 0 dist 9.09556 5.81421 5.56416 10.6585 5.14122 7.83102 numMergedOcc 0
21 mol 271 unq 0 iso 0 dist 7.70069 9.04738 5.33191 7.75956 10.2463 7.06108 numMergedOcc 0
22 mol 279 unq 0 iso 0 dist 8.85653 8.27977 6.03718 11.9125 13.558 7.63115 numMergedOcc 0
23 mol 282 unq 0 iso 0 dist 9.40138 7.70229 4.58403 5.9433 5.72197 7.34596 numMergedOcc 0
24 mol 282 unq 1 iso 0 dist 9.40138 7.90792 5.04235 5.9433 5.72197 7.12228 numMergedOcc 0
25 mol 282 unq 2 iso 0 dist 8.37963 7.70229 14.9812 5.9433 14.0199 7.34596 numMergedOcc 0
26 mol 282 unq 3 iso 0 dist 8.37963 7.90792 15.4482 5.9433 14.0199 7.12228 numMergedOcc 0
