0 mol 25 unq 0 iso 0 dist 7.0928 6.32132 5.04899 12.8208 5.8503 8.6396 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 9.15677 16.4682 8.34347 10.1983 5.3315 6.88695 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 9.61029 14.3476 8.34347 14.2961 5.3315 6.88695 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 9.16827 12.092 6.20293 19.9966 11.8286 8.38387 numMergedOcc 0
4 mol 59 unq 0 iso 0 dist 7.67586 5.03832 6.85766 6.17977 5.34079 8.05508 numMergedOcc 0
5 mol 59 unq 1 iso 0 dist 8.97292 7.2878 6.85766 9.76644 5.34079 8.05508 numMergedOcc 0
6 mol 95 unq 0 iso 0 dist 6.05043 6.40193 7.27724 8.54807 5.33325 9.65047 numMergedOcc 0
7 mol 114 unq 0 iso 0 dist 6.06543 5.51609 7.35754 6.34761 4.1386 9.44713 numMergedOcc 0
8 mol 117 unq 0 iso 0 dist 9.41387 9.3855 7.90328 15.6763 10.4485 6.90827 numMergedOcc 0
9 mol 117 unq 1 iso 0 dist 9.41387 9.3855 7.90328 18.1739 13.8755 8.90977 numMergedOcc 0
10 mol 119 unq 0 iso 0 dist 8.32004 6.92096 9.87172 13.9077 12.1192 8.44385 numMergedOcc 0
11 mol 127 unq 0 iso 0 dist 9.79448 6.02237 9.30299 14.0423 8.60326 9.42513 numMergedOcc 0
12 mol 129 unq 0 iso 0 dist 8.14071 13.1328 5.83384 17.5691 10.0961 6.38163 numMergedOcc 0
13 mol 131 unq 0 iso 0 dist 6.38977 6.82985 8.40312 8.74464 5.6098 6.31125 numMergedOcc 0
14 mol 131 unq 1 iso 0 dist 9.69757 6.82985 7.12972 8.74464 4.29914 6.31125 numMergedOcc 0
15 mol 132 unq 0 iso 0 dist 9.0339 15.9368 7.7059 11.9089 4.90475 8.7366 numMergedOcc 0
16 mol 167 unq 0 iso 0 dist 6.64164 5.361 9.87651 8.01303 8.66436 5.59806 numMergedOcc 0
17 mol 181 unq 0 iso 0 dist 6.96824 8.76337 7.63312 17.5221 12.9554 9.84952 numMergedOcc 0
18 mol 214 unq 0 iso 0 dist 8.3035 6.23589 8.82096 6.99667 4.55245 4.84709 numMergedOcc 0
19 mol 214 unq 1 iso 0 dist 9.01896 7.3913 8.82096 6.22499 4.55245 4.84709 numMergedOcc 0
20 mol 222 unq 0 iso 0 dist 7.14277 4.02914 7.21333 12.4611 16.4881 9.55777 numMergedOcc 0
21 mol 231 unq 0 iso 0 dist 8.17766 12.5238 8.40182 15.7297 8.55683 8.01942 numMergedOcc 0
22 mol 231 unq 1 iso 0 dist 9.84965 16.7305 8.40182 18.274 8.55683 8.01942 numMergedOcc 0
23 mol 238 unq 0 iso 0 dist 9.82174 10.4397 6.57393 11.5196 10.3859 9.13537 numMergedOcc 0
24 mol 238 unq 1 iso 0 dist 7.13194 9.05069 5.72887 18.1418 12.521 9.94315 numMergedOcc 0
25 mol 238 unq 2 iso 0 dist 7.13194 9.05069 5.72887 15.8518 9.18011 8.59074 numMergedOcc 0
26 mol 238 unq 3 iso 0 dist 7.13194 9.05069 5.72887 11.3226 4.7157 6.2365 numMergedOcc 0
27 mol 238 unq 4 iso 0 dist 7.80166 6.77788 5.72887 12.7061 12.521 9.94315 numMergedOcc 0
28 mol 238 unq 5 iso 0 dist 7.80166 6.77788 5.72887 12.3224 9.18011 8.59074 numMergedOcc 0
29 mol 238 unq 6 iso 0 dist 7.80166 6.77788 5.72887 11.0982 4.7157 6.2365 numMergedOcc 0
30 mol 238 unq 7 iso 0 dist 9.2521 12.8083 6.22714 20.1729 12.2428 9.66555 numMergedOcc 0
31 mol 238 unq 8 iso 0 dist 9.2521 12.8083 6.22714 17.3899 8.66185 8.67205 numMergedOcc 0
32 mol 241 unq 0 iso 0 dist 8.62971 4.99503 7.4631 13.1123 7.20238 9.10633 numMergedOcc 0
33 mol 258 unq 0 iso 0 dist 7.22378 6.8193 6.60405 10.9873 6.48867 5.73834 numMergedOcc 0
34 mol 259 unq 0 iso 0 dist 6.49599 14.1932 8.13497 16.214 10.4985 5.90645 numMergedOcc 0
35 mol 292 unq 0 iso 0 dist 5.69465 8.46956 8.2734 9.22345 8.04474 9.30668 numMergedOcc 0
36 mol 294 unq 0 iso 0 dist 7.1984 6.23921 8.15665 13.2619 10.2761 7.98617 numMergedOcc 0
