0 mol 15 unq 0 iso 0 dist 4.27439 9.60736 11.1852 7.57076 5.82801 10.6969 numMergedOcc 0
1 mol 28 unq 0 iso 0 dist 8.24316 9.77719 11.0435 6.76158 11.1346 16.4255 numMergedOcc 0
2 mol 28 unq 1 iso 0 dist 8.24316 9.77719 11.0435 7.423 10.8275 16.0765 numMergedOcc 0
3 mol 28 unq 2 iso 0 dist 8.24316 9.77719 11.0435 5.89257 7.90018 13.6412 numMergedOcc 0
4 mol 34 unq 0 iso 0 dist 9.29561 7.61802 9.0284 7.32472 7.65753 12.7313 numMergedOcc 0
5 mol 59 unq 0 iso 0 dist 8.82919 5.82829 3.58984 4.74574 9.25177 7.21298 numMergedOcc 0
6 mol 90 unq 0 iso 0 dist 8.60438 7.15918 6.55381 7.30934 4.77556 5.4118 numMergedOcc 0
7 mol 116 unq 0 iso 0 dist 7.64107 7.54622 11.201 9.70317 13.6882 3.66183 numMergedOcc 0
8 mol 116 unq 1 iso 0 dist 7.53333 7.54622 9.7845 9.70317 9.02311 3.66183 numMergedOcc 0
9 mol 168 unq 0 iso 0 dist 8.66519 8.96534 16.3246 8.47439 12.949 14.2042 numMergedOcc 0
10 mol 168 unq 1 iso 0 dist 8.66519 8.65328 17.2974 8.47439 12.949 10.919 numMergedOcc 0
11 mol 168 unq 2 iso 0 dist 8.66519 5.69346 7.95609 8.47439 12.949 6.65321 numMergedOcc 0
12 mol 257 unq 0 iso 0 dist 9.91996 7.57749 8.98591 8.71617 17.1974 9.9335 numMergedOcc 0
13 mol 258 unq 0 iso 0 dist 5.50553 8.34536 7.23383 8.86773 6.4179 3.04079 numMergedOcc 0
14 mol 258 unq 1 iso 0 dist 5.50553 8.34536 7.23383 8.95095 11.4354 6.41309 numMergedOcc 0
15 mol 260 unq 0 iso 0 dist 5.16772 7.97307 11.432 7.13397 11.9315 8.04546 numMergedOcc 0
16 mol 260 unq 1 iso 0 dist 5.16772 7.97307 11.432 5.33278 8.79837 3.68866 numMergedOcc 0
17 mol 260 unq 2 iso 0 dist 5.16772 8.52702 4.35925 7.13397 11.9315 15.6308 numMergedOcc 0
18 mol 260 unq 3 iso 0 dist 5.16772 8.52702 4.35925 5.33278 8.79837 10.6938 numMergedOcc 0
19 mol 266 unq 0 iso 0 dist 9.51286 6.61768 7.90149 6.9943 5.79323 3.68488 numMergedOcc 0
20 mol 266 unq 1 iso 0 dist 9.51286 6.61768 7.90149 7.36685 7.52317 3.14784 numMergedOcc 0
21 mol 266 unq 2 iso 0 dist 9.51286 6.61768 7.90149 9.03099 9.52953 5.95721 numMergedOcc 0
22 mol 266 unq 3 iso 0 dist 8.78501 8.6959 5.85295 7.51951 15.5294 12.9145 numMergedOcc 0
23 mol 266 unq 4 iso 0 dist 5.59641 8.6959 10.8026 7.51951 12.1427 12.9145 numMergedOcc 0
24 mol 277 unq 0 iso 0 dist 9.60879 8.20902 5.38166 7.34927 14.4215 10.5214 numMergedOcc 0
25 mol 277 unq 1 iso 0 dist 6.92271 8.20902 6.65084 7.34927 5.11865 10.5214 numMergedOcc 0
26 mol 283 unq 0 iso 0 dist 6.28768 5.31969 9.09436 7.58381 10.9892 3.34167 numMergedOcc 0
