0 mol 18 unq 0 iso 0 dist 8.2056 6.41856 7.37821 10.2716 8.24798 13.725 numMergedOcc 0
1 mol 18 unq 1 iso 0 dist 8.2056 6.41856 7.37821 10.3407 8.02079 12.0482 numMergedOcc 0
2 mol 18 unq 2 iso 0 dist 8.2056 8.51213 4.25207 10.2716 8.24798 6.39243 numMergedOcc 0
3 mol 18 unq 3 iso 0 dist 8.2056 8.51213 4.25207 10.3407 8.02079 9.1715 numMergedOcc 0
4 mol 38 unq 0 iso 0 dist 9.49676 9.70612 16.3301 12.2047 7.88321 21.4005 numMergedOcc 0
5 mol 38 unq 1 iso 0 dist 9.49676 6.46781 11.1811 12.2047 7.88321 16.5347 numMergedOcc 0
6 mol 38 unq 2 iso 0 dist 9.49676 8.19077 5.79134 12.2047 7.88321 12.2513 numMergedOcc 0
7 mol 90 unq 0 iso 0 dist 4.90079 6.31203 4.8042 5.50714 7.68053 8.44515 numMergedOcc 0
8 mol 93 unq 0 iso 0 dist 8.84466 9.10877 12.5871 13.0411 8.55124 19.8372 numMergedOcc 0
9 mol 113 unq 0 iso 0 dist 8.28452 8.29529 14.0364 10.03 9.15172 18.281 numMergedOcc 0
10 mol 115 unq 0 iso 0 dist 7.99121 5.22628 6.59772 6.64473 5.87592 8.97043 numMergedOcc 0
11 mol 115 unq 1 iso 0 dist 6.30982 5.22628 4.86477 6.64473 8.37388 8.97043 numMergedOcc 0
12 mol 132 unq 0 iso 0 dist 8.94096 7.84864 6.68335 5.63272 8.08406 10.6749 numMergedOcc 0
13 mol 132 unq 1 iso 0 dist 7.64207 7.84864 9.11596 5.63272 5.73579 10.6749 numMergedOcc 0
14 mol 147 unq 0 iso 0 dist 5.70772 9.23551 10.5583 6.56535 9.80939 13.6583 numMergedOcc 0
15 mol 147 unq 1 iso 0 dist 8.93916 7.4653 8.95179 8.29623 9.80939 13.4972 numMergedOcc 0
16 mol 147 unq 2 iso 0 dist 8.93916 7.95564 11.4531 8.29623 9.80939 15.7261 numMergedOcc 0
17 mol 173 unq 0 iso 0 dist 7.76856 9.09857 10.6484 7.11016 9.9855 14.6466 numMergedOcc 0
18 mol 181 unq 0 iso 0 dist 8.94464 9.50454 9.32503 11.9871 7.04782 15.3017 numMergedOcc 0
19 mol 181 unq 1 iso 0 dist 8.94464 7.15963 13.2985 11.9871 7.04782 14.2552 numMergedOcc 0
20 mol 181 unq 2 iso 0 dist 5.08796 6.43406 4.3158 8.22885 9.14877 9.79901 numMergedOcc 0
21 mol 181 unq 3 iso 0 dist 5.08796 6.43406 4.3158 5.58305 8.18021 11.2136 numMergedOcc 0
22 mol 239 unq 0 iso 0 dist 6.84088 6.92721 9.86326 5.32735 9.87224 6.83046 numMergedOcc 0
23 mol 258 unq 0 iso 0 dist 8.62592 5.31858 7.52881 5.06393 6.41167 8.21585 numMergedOcc 0
24 mol 258 unq 1 iso 0 dist 8.62592 5.71851 12.3042 5.06393 6.41167 10.6274 numMergedOcc 0
25 mol 259 unq 0 iso 0 dist 6.83706 8.69345 10.7398 8.59148 9.03983 15.4503 numMergedOcc 0
26 mol 267 unq 0 iso 0 dist 9.60447 6.19138 10.2663 4.66843 9.30931 9.55141 numMergedOcc 0
