0 mol 54 unq 0 iso 0 dist 7.51978 13.323 6.59893 5.59128 5.02241 10.8658 numMergedOcc 0
1 mol 54 unq 1 iso 0 dist 7.51978 10.6593 5.59773 5.59128 5.02241 10.352 numMergedOcc 0
2 mol 89 unq 0 iso 0 dist 8.25651 7.94744 6.36021 7.51049 8.75946 7.37332 numMergedOcc 0
3 mol 100 unq 0 iso 0 dist 9.91446 11.6391 7.88564 7.39527 4.76815 5.07584 numMergedOcc 0
4 mol 100 unq 1 iso 0 dist 9.91446 8.46662 6.78459 7.39527 4.76815 7.59628 numMergedOcc 0
5 mol 114 unq 0 iso 0 dist 5.87387 5.6579 8.42445 6.2394 8.71128 10.453 numMergedOcc 0
6 mol 117 unq 0 iso 0 dist 9.41387 10.6263 7.70533 6.69306 6.62561 12.4058 numMergedOcc 0
7 mol 141 unq 0 iso 0 dist 4.93035 3.71857 6.42756 6.70767 6.93652 9.82776 numMergedOcc 0
8 mol 156 unq 0 iso 0 dist 7.39961 3.84324 8.81169 5.58352 8.47155 8.83831 numMergedOcc 0
9 mol 176 unq 0 iso 0 dist 4.96326 12.8098 9.03194 12.8521 8.61331 9.17004 numMergedOcc 0
10 mol 176 unq 1 iso 0 dist 9.09976 6.31058 9.03194 10.9728 8.61331 9.17004 numMergedOcc 0
11 mol 176 unq 2 iso 0 dist 9.73567 9.26882 9.03194 7.46138 8.61331 9.17004 numMergedOcc 0
12 mol 214 unq 0 iso 0 dist 6.83122 12.2514 8.49704 8.77336 6.97182 13.4309 numMergedOcc 0
13 mol 214 unq 1 iso 0 dist 6.83122 12.2514 8.49704 10.8541 6.1175 13.5787 numMergedOcc 0
14 mol 238 unq 0 iso 0 dist 9.82174 10.7991 9.75174 12.5765 6.91569 5.1967 numMergedOcc 0
15 mol 238 unq 1 iso 0 dist 7.13194 8.83643 9.31417 14.751 9.29858 18.4149 numMergedOcc 0
16 mol 238 unq 2 iso 0 dist 7.13194 4.55701 5.56719 14.751 9.29858 14.7671 numMergedOcc 0
17 mol 238 unq 3 iso 0 dist 7.80166 11.1397 9.31417 12.4266 9.29858 18.4149 numMergedOcc 0
18 mol 238 unq 4 iso 0 dist 7.80166 8.53461 5.56719 12.4266 9.29858 14.7671 numMergedOcc 0
19 mol 249 unq 0 iso 0 dist 6.93507 6.06312 5.78121 5.63238 8.96876 4.16447 numMergedOcc 0
20 mol 249 unq 1 iso 0 dist 6.42827 6.06312 7.29898 5.63238 8.83735 4.16447 numMergedOcc 0
21 mol 249 unq 2 iso 0 dist 6.42827 10.3054 8.91685 5.63238 8.83735 6.74838 numMergedOcc 0
22 mol 253 unq 0 iso 0 dist 5.76077 8.19585 7.7993 10.6548 7.19465 14.5897 numMergedOcc 0
23 mol 253 unq 1 iso 0 dist 5.76077 6.8205 6.10761 10.6548 7.19465 8.77813 numMergedOcc 0
24 mol 253 unq 2 iso 0 dist 7.0247 14.4438 7.7993 3.494 7.19465 14.5897 numMergedOcc 0
25 mol 253 unq 3 iso 0 dist 7.0247 10.5134 6.10761 3.494 7.19465 8.77813 numMergedOcc 0
26 mol 272 unq 0 iso 0 dist 7.22438 9.38576 6.94346 6.68919 6.73206 5.40622 numMergedOcc 0
27 mol 272 unq 1 iso 0 dist 7.66615 14.8394 9.1118 6.68919 9.09992 11.5698 numMergedOcc 0
28 mol 272 unq 2 iso 0 dist 7.66615 14.8394 9.1118 8.13036 6.16449 11.0654 numMergedOcc 0
29 mol 282 unq 0 iso 0 dist 8.74201 8.46372 9.12049 8.88596 9.58517 5.65144 numMergedOcc 0
30 mol 282 unq 1 iso 0 dist 6.65024 3.7513 9.12049 6.25775 9.58517 5.65144 numMergedOcc 0
31 mol 287 unq 0 iso 0 dist 7.28096 5.75946 9.6331 9.67343 7.04472 8.82942 numMergedOcc 0
32 mol 287 unq 1 iso 0 dist 7.28096 5.75946 9.6331 6.32031 6.4778 7.49834 numMergedOcc 0
33 mol 288 unq 0 iso 0 dist 7.28096 5.75946 9.6331 9.67343 7.04472 8.82942 numMergedOcc 0
34 mol 288 unq 1 iso 0 dist 7.28096 5.75946 9.6331 6.32031 6.4778 7.49834 numMergedOcc 0
35 mol 289 unq 0 iso 0 dist 7.28096 5.75946 9.6331 9.67343 7.04472 8.82942 numMergedOcc 0
36 mol 289 unq 1 iso 0 dist 7.28096 5.75946 9.6331 6.32031 6.4778 7.49834 numMergedOcc 0
