0 mol 34 unq 0 iso 0 dist 6.20159 8.8717 4.77186 6.87212 6.44363 9.69215 numMergedOcc 0
1 mol 42 unq 0 iso 0 dist 8.11814 5.85932 3.24135 7.16724 11.2178 9.77392 numMergedOcc 0
2 mol 62 unq 0 iso 0 dist 7.43801 7.05867 8.52741 6.99148 11.4007 7.34678 numMergedOcc 0
3 mol 62 unq 1 iso 0 dist 5.94787 7.05867 5.69805 6.99148 7.9399 7.34678 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 7.69672 7.05954 7.43726 5.27016 12.2787 8.95651 numMergedOcc 0
5 mol 109 unq 0 iso 0 dist 9.39787 8.39026 14.3419 7.17914 15.6348 7.49224 numMergedOcc 0
6 mol 111 unq 0 iso 0 dist 9.76075 6.90574 12.0896 4.51896 13.8991 9.82548 numMergedOcc 0
7 mol 120 unq 0 iso 0 dist 5.27549 8.51585 4.80028 8.14582 5.90276 9.07172 numMergedOcc 0
8 mol 154 unq 0 iso 0 dist 5.7306 6.03116 3.44683 9.95968 12.1431 9.2042 numMergedOcc 0
9 mol 163 unq 0 iso 0 dist 5.43385 8.74174 5.57459 9.10578 11.2558 9.3832 numMergedOcc 0
10 mol 163 unq 1 iso 0 dist 5.43385 8.74174 5.57459 9.44058 6.54995 6.0247 numMergedOcc 0
11 mol 163 unq 2 iso 0 dist 5.43385 8.74174 5.57459 5.51241 5.27374 6.40873 numMergedOcc 0
12 mol 167 unq 0 iso 0 dist 7.71402 6.6276 8.73305 4.88159 6.00793 9.17387 numMergedOcc 0
13 mol 167 unq 1 iso 0 dist 4.74768 6.6276 5.07469 4.88159 9.12568 9.17387 numMergedOcc 0
14 mol 173 unq 0 iso 0 dist 8.12102 7.87322 11.8803 9.91529 13.8854 5.36078 numMergedOcc 0
15 mol 173 unq 1 iso 0 dist 7.95138 7.87322 6.94278 9.91529 8.32347 5.36078 numMergedOcc 0
16 mol 214 unq 0 iso 0 dist 8.88235 6.87058 5.2303 5.98033 10.8509 6.70176 numMergedOcc 0
17 mol 214 unq 1 iso 0 dist 8.88235 6.87058 5.2303 5.37948 7.56376 4.94811 numMergedOcc 0
18 mol 225 unq 0 iso 0 dist 9.7268 6.06105 8.12785 11.8099 15.1471 9.65075 numMergedOcc 0
19 mol 237 unq 0 iso 0 dist 9.81108 6.96229 4.83024 7.63505 7.11512 8.06435 numMergedOcc 0
20 mol 240 unq 0 iso 0 dist 7.43296 5.46783 9.42043 8.79048 14.7138 8.44671 numMergedOcc 0
21 mol 258 unq 0 iso 0 dist 9.95473 8.43941 3.42387 5.17102 8.4485 8.15795 numMergedOcc 0
22 mol 266 unq 0 iso 0 dist 5.15737 8.39358 7.24378 5.29294 7.50074 6.64472 numMergedOcc 0
