0 mol 25 unq 0 iso 0 dist 7.0928 6.32132 5.04899 12.8208 5.8503 8.6396 11.7941 7.05196 6.47509 5.77745 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 9.15677 16.4682 8.34347 10.1983 5.3315 6.88695 18.9858 13.6027 8.25132 9.63803 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 9.61029 14.3476 8.34347 14.2961 5.3315 6.88695 19.4738 13.6027 8.25132 9.63803 numMergedOcc 0
3 mol 95 unq 0 iso 0 dist 6.05043 6.40193 7.27724 8.54807 5.33325 9.65047 13.6569 14.1515 14.2178 9.70292 numMergedOcc 0
4 mol 95 unq 1 iso 0 dist 6.05043 6.40193 7.27724 8.54807 5.33325 9.65047 6.01813 10.3132 8.78079 9.59704 numMergedOcc 0
5 mol 117 unq 0 iso 0 dist 9.41387 9.3855 7.90328 15.6763 10.4485 6.90827 10.8838 10.4223 3.55765 6.78655 numMergedOcc 0
6 mol 117 unq 1 iso 0 dist 9.41387 9.3855 7.90328 18.1739 13.8755 8.90977 10.8838 10.4223 3.55765 9.42037 numMergedOcc 0
7 mol 119 unq 0 iso 0 dist 8.32004 6.92096 9.87172 13.9077 12.1192 8.44385 18.6416 20.14 12.4829 9.10803 numMergedOcc 0
8 mol 129 unq 0 iso 0 dist 8.14071 13.1328 5.83384 17.5691 10.0961 6.38163 19.3564 11.7541 6.28232 6.53559 numMergedOcc 0
9 mol 129 unq 1 iso 0 dist 8.14071 13.1328 5.83384 17.5691 10.0961 6.38163 23.8428 17.1791 12.3705 7.90844 numMergedOcc 0
10 mol 131 unq 0 iso 0 dist 6.38977 6.82985 8.40312 8.74464 5.6098 6.31125 4.67452 9.27976 3.98662 9.10434 numMergedOcc 0
11 mol 131 unq 1 iso 0 dist 9.69757 6.82985 7.12972 8.74464 4.29914 6.31125 4.67452 10.0551 3.98662 9.10434 numMergedOcc 0
12 mol 132 unq 0 iso 0 dist 9.0339 15.9368 7.7059 11.9089 4.90475 8.7366 16.648 9.64688 4.04586 9.98509 numMergedOcc 0
13 mol 238 unq 0 iso 0 dist 7.13194 9.05069 5.72887 18.1418 12.521 9.94315 13.1414 9.72188 7.06793 7.13727 numMergedOcc 0
14 mol 238 unq 1 iso 0 dist 7.13194 9.05069 5.72887 15.8518 9.18011 8.59074 13.1414 9.72188 7.06793 8.56975 numMergedOcc 0
15 mol 238 unq 2 iso 0 dist 7.80166 6.77788 5.72887 12.7061 12.521 9.94315 6.10342 9.72188 7.06793 7.13727 numMergedOcc 0
16 mol 238 unq 3 iso 0 dist 7.80166 6.77788 5.72887 12.3224 9.18011 8.59074 6.10342 9.72188 7.06793 8.56975 numMergedOcc 0
17 mol 238 unq 4 iso 0 dist 9.2521 12.8083 6.22714 20.1729 12.2428 9.66555 15.433 10.1172 6.82305 6.96382 numMergedOcc 0
18 mol 292 unq 0 iso 0 dist 5.69465 8.46956 8.2734 9.22345 8.04474 9.30668 4.54051 7.20674 7.8414 5.72473 numMergedOcc 0
