0 mol 12 unq 0 iso 0 dist 4.62913 7.44542 10.1259 5.85944 8.17618 12.5465 numMergedOcc 0
1 mol 59 unq 0 iso 0 dist 5.41134 9.23605 7.07517 5.29688 9.05547 12.9592 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 5.73908 6.77421 11.2311 13.4703 9.7754 20.0567 numMergedOcc 0
3 mol 87 unq 0 iso 0 dist 6.97882 9.4868 5.38943 11.2491 9.1329 5.26938 numMergedOcc 0
4 mol 87 unq 1 iso 0 dist 6.97882 9.4868 5.38943 5.00184 9.33217 11.099 numMergedOcc 0
5 mol 87 unq 2 iso 0 dist 6.97882 9.4868 5.38943 12.8734 9.03114 8.91602 numMergedOcc 0
6 mol 87 unq 3 iso 0 dist 9.4868 6.97882 5.38943 11.2491 5.26938 9.1329 numMergedOcc 0
7 mol 87 unq 4 iso 0 dist 9.4868 6.97882 5.38943 12.8734 8.91602 9.03114 numMergedOcc 0
8 mol 127 unq 0 iso 0 dist 8.58317 5.52891 6.87199 4.70935 7.73139 8.62711 numMergedOcc 0
9 mol 127 unq 1 iso 0 dist 5.52891 8.58317 6.87199 4.02121 6.65963 11.1225 numMergedOcc 0
10 mol 127 unq 2 iso 0 dist 5.52891 8.58317 6.87199 4.70935 8.62711 7.73139 numMergedOcc 0
11 mol 132 unq 0 iso 0 dist 9.00166 7.16287 11.8902 4.90475 6.2403 6.495 numMergedOcc 0
12 mol 132 unq 1 iso 0 dist 9.00166 7.16287 11.8902 6.34266 8.34869 9.43748 numMergedOcc 0
13 mol 132 unq 2 iso 0 dist 7.16287 9.00166 11.8902 4.90475 6.495 6.2403 numMergedOcc 0
14 mol 132 unq 3 iso 0 dist 7.16287 9.00166 11.8902 6.34266 9.43748 8.34869 numMergedOcc 0
15 mol 133 unq 0 iso 0 dist 5.01269 7.67877 5.13345 6.49846 5.97805 9.14401 numMergedOcc 0
16 mol 133 unq 1 iso 0 dist 5.9962 9.96416 9.34083 4.58263 8.96061 13.8241 numMergedOcc 0
17 mol 133 unq 2 iso 0 dist 5.9962 7.17051 11.2107 4.58263 8.96061 10.2321 numMergedOcc 0
18 mol 163 unq 0 iso 0 dist 6.89529 8.66172 15.2428 4.12904 6.56115 10.4941 numMergedOcc 0
19 mol 210 unq 0 iso 0 dist 5.33103 9.01301 7.38798 3.84723 6.53736 8.18851 numMergedOcc 0
20 mol 210 unq 1 iso 0 dist 9.01301 5.33103 7.38798 3.84723 8.18851 6.53736 numMergedOcc 0
21 mol 217 unq 0 iso 0 dist 8.72578 8.80103 15.2136 6.20364 5.10683 14.3153 numMergedOcc 0
22 mol 219 unq 0 iso 0 dist 8.55971 7.26376 10.4254 5.0241 9.68515 8.09769 numMergedOcc 0
23 mol 219 unq 1 iso 0 dist 7.26376 8.55971 10.4254 5.0241 8.09769 9.68515 numMergedOcc 0
24 mol 219 unq 2 iso 0 dist 7.26376 8.55971 10.4254 4.36122 7.24832 12.6018 numMergedOcc 0
25 mol 247 unq 0 iso 0 dist 8.21164 8.40674 11.3859 14.6138 7.29178 18.5067 numMergedOcc 0
26 mol 247 unq 1 iso 0 dist 8.21164 6.09851 11.6855 14.6138 7.29178 15.88 numMergedOcc 0
27 mol 271 unq 0 iso 0 dist 9.80493 6.75395 5.54816 10.4126 8.32351 11.4211 numMergedOcc 0
28 mol 279 unq 0 iso 0 dist 9.56601 6.70261 6.22487 7.84864 6.47376 9.6147 numMergedOcc 0
29 mol 279 unq 1 iso 0 dist 6.70261 9.56601 6.22487 7.84864 9.6147 6.47376 numMergedOcc 0
30 mol 293 unq 0 iso 0 dist 6.97887 4.66962 5.85599 8.40114 8.78835 11.0302 numMergedOcc 0
31 mol 293 unq 1 iso 0 dist 6.97887 6.04186 7.34816 8.40114 8.78835 9.85736 numMergedOcc 0
32 mol 294 unq 0 iso 0 dist 5.71656 8.55037 13.7241 5.57606 8.52208 10.8195 numMergedOcc 0
