0 mol 33 unq 0 iso 0 dist 6.42569 8.23825 6.64845 11.8528 9.88964 9.32796 numMergedOcc 0
1 mol 33 unq 1 iso 0 dist 6.42569 8.23825 6.64845 11.9601 7.26522 5.73522 numMergedOcc 0
2 mol 33 unq 2 iso 0 dist 6.42569 8.23825 6.64845 4.90612 7.40467 5.89775 numMergedOcc 0
3 mol 33 unq 3 iso 0 dist 9.13872 11.1264 6.64845 12.1091 9.88964 9.32796 numMergedOcc 0
4 mol 33 unq 4 iso 0 dist 9.13872 11.1264 6.64845 14.3548 7.26522 5.73522 numMergedOcc 0
5 mol 33 unq 5 iso 0 dist 9.13872 11.1264 6.64845 6.0516 7.40467 5.89775 numMergedOcc 0
6 mol 33 unq 6 iso 0 dist 7.27307 8.7633 6.64845 8.25522 9.88964 9.32796 numMergedOcc 0
7 mol 33 unq 7 iso 0 dist 7.27307 8.7633 6.64845 11.1264 7.26522 5.73522 numMergedOcc 0
8 mol 33 unq 8 iso 0 dist 7.27307 8.7633 6.64845 3.70057 7.40467 5.89775 numMergedOcc 0
9 mol 33 unq 9 iso 0 dist 5.73206 8.68099 6.64845 5.18096 9.88964 9.32796 numMergedOcc 0
10 mol 33 unq 10 iso 0 dist 5.73206 8.68099 6.64845 7.41772 7.26522 5.73522 numMergedOcc 0
11 mol 33 unq 11 iso 0 dist 5.73206 8.68099 6.64845 7.35776 7.40467 5.89775 numMergedOcc 0
12 mol 41 unq 0 iso 0 dist 6.51139 9.88933 9.88728 9.98999 7.80685 14.2396 numMergedOcc 0
13 mol 130 unq 0 iso 0 dist 8.17814 9.46843 8.76341 7.06579 9.64516 8.438 numMergedOcc 0
14 mol 130 unq 1 iso 0 dist 9.14434 17.1586 8.76341 14.1942 9.64516 8.438 numMergedOcc 0
15 mol 141 unq 0 iso 0 dist 9.73865 6.3489 5.07226 10.6467 9.85107 6.89049 numMergedOcc 0
16 mol 141 unq 1 iso 0 dist 8.52591 4.49133 5.07226 7.26284 9.85107 6.89049 numMergedOcc 0
17 mol 154 unq 0 iso 0 dist 8.65008 11.2153 9.2828 7.86748 7.00443 3.44683 numMergedOcc 0
18 mol 167 unq 0 iso 0 dist 9.63473 15.7623 9.50912 4.90755 9.94406 12.7516 numMergedOcc 0
19 mol 167 unq 1 iso 0 dist 8.39087 11.3036 9.50912 6.00202 9.94406 12.7516 numMergedOcc 0
20 mol 186 unq 0 iso 0 dist 7.81904 5.21325 8.62286 5.47232 8.16906 8.54772 numMergedOcc 0
21 mol 186 unq 1 iso 0 dist 7.81904 5.21325 8.62286 14.0944 9.14238 17.0614 numMergedOcc 0
22 mol 192 unq 0 iso 0 dist 9.78743 15.5077 5.90008 9.60511 9.56785 12.4216 numMergedOcc 0
23 mol 192 unq 1 iso 0 dist 9.78743 15.5077 5.90008 13.796 7.66812 7.0015 numMergedOcc 0
24 mol 212 unq 0 iso 0 dist 8.09185 10.9786 9.65678 6.8255 4.72269 10.9919 numMergedOcc 0
25 mol 212 unq 1 iso 0 dist 7.27225 9.19437 9.65678 11.009 4.72269 10.9919 numMergedOcc 0
26 mol 212 unq 2 iso 0 dist 8.14212 6.28622 9.65678 8.66123 4.72269 10.9919 numMergedOcc 0
27 mol 239 unq 0 iso 0 dist 4.53228 13.1778 9.90442 4.52384 7.07461 16.8277 numMergedOcc 0
28 mol 239 unq 1 iso 0 dist 8.54078 15.589 9.90442 8.07771 7.07461 16.8277 numMergedOcc 0
29 mol 268 unq 0 iso 0 dist 9.73984 4.29831 9.54291 13.715 8.87745 15.0736 numMergedOcc 0
30 mol 273 unq 0 iso 0 dist 6.91029 5.59076 9.85536 5.62645 7.63525 5.23774 numMergedOcc 0
31 mol 273 unq 1 iso 0 dist 6.91029 5.59076 9.85536 8.08262 8.57011 9.97942 numMergedOcc 0
