0 mol 24 unq 0 iso 0 dist 8.23075 14.4162 8.56274 5.11617 7.85986 11.8996 numMergedOcc 0
1 mol 28 unq 0 iso 0 dist 8.95154 10.2179 9.17482 8.4285 5.19518 7.00226 numMergedOcc 0
2 mol 113 unq 0 iso 0 dist 9.59585 8.48288 8.28325 8.42718 5.35711 7.76807 numMergedOcc 0
3 mol 119 unq 0 iso 0 dist 4.80684 4.91594 8.34342 5.92984 6.21165 7.34151 numMergedOcc 0
4 mol 119 unq 1 iso 0 dist 4.80684 9.3046 7.62197 5.92984 6.21165 11.7884 numMergedOcc 0
5 mol 119 unq 2 iso 0 dist 4.80684 8.26819 9.31621 5.92984 6.21165 5.93976 numMergedOcc 0
6 mol 119 unq 3 iso 0 dist 7.60162 12.8318 8.34342 7.45148 6.21165 7.34151 numMergedOcc 0
7 mol 119 unq 4 iso 0 dist 7.60162 15.2217 7.62197 7.45148 6.21165 11.7884 numMergedOcc 0
8 mol 119 unq 5 iso 0 dist 7.60162 4.60974 9.31621 7.45148 6.21165 5.93976 numMergedOcc 0
9 mol 143 unq 0 iso 0 dist 8.64905 12.7056 7.22 10.4028 7.2932 5.99865 numMergedOcc 0
10 mol 162 unq 0 iso 0 dist 7.93088 6.69868 5.97934 4.20425 5.67088 3.76192 numMergedOcc 0
11 mol 162 unq 1 iso 0 dist 7.93088 6.69868 5.97934 6.45822 9.61332 4.40869 numMergedOcc 0
12 mol 169 unq 0 iso 0 dist 9.37946 8.78403 8.21203 8.6888 5.41121 7.77054 numMergedOcc 0
13 mol 188 unq 0 iso 0 dist 7.86092 5.48276 6.18257 8.77113 8.34477 5.0782 numMergedOcc 0
14 mol 188 unq 1 iso 0 dist 7.86092 5.48276 6.18257 10.5721 8.4784 5.87427 numMergedOcc 0
15 mol 198 unq 0 iso 0 dist 9.76973 6.74772 5.20846 15.6566 8.78623 9.86517 numMergedOcc 0
16 mol 232 unq 0 iso 0 dist 8.60731 5.36722 9.67093 14.3553 9.89191 16.7834 numMergedOcc 0
17 mol 277 unq 0 iso 0 dist 5.72327 8.24238 8.78893 7.8636 6.23115 5.43373 numMergedOcc 0
18 mol 277 unq 1 iso 0 dist 5.72327 4.67953 4.61089 7.8636 6.23115 7.17477 numMergedOcc 0
19 mol 277 unq 2 iso 0 dist 5.81301 12.5663 8.78893 9.87336 6.23115 5.43373 numMergedOcc 0
20 mol 277 unq 3 iso 0 dist 5.81301 8.29849 4.61089 9.87336 6.23115 7.17477 numMergedOcc 0
21 mol 277 unq 4 iso 0 dist 9.81201 13.5192 8.78893 11.4648 6.23115 5.43373 numMergedOcc 0
22 mol 277 unq 5 iso 0 dist 9.81201 10.8993 4.61089 11.4648 6.23115 7.17477 numMergedOcc 0
