0 mol 34 unq 0 iso 0 dist 5.73257 7.66913 4.41248 5.39587 8.82586 9.12176 numMergedOcc 0
1 mol 34 unq 1 iso 0 dist 5.73257 7.66913 4.41248 6.47252 5.65179 9.21138 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 6.21143 9.46449 9.84993 6.94712 6.06742 3.81228 numMergedOcc 0
3 mol 68 unq 0 iso 0 dist 9.46609 6.27321 12.9103 6.72469 5.6999 7.71726 numMergedOcc 0
4 mol 70 unq 0 iso 0 dist 8.06918 6.13606 9.29381 8.63204 15.7824 8.92835 numMergedOcc 0
5 mol 70 unq 1 iso 0 dist 8.06918 6.13606 9.29381 5.4014 12.3616 5.07553 numMergedOcc 0
6 mol 70 unq 2 iso 0 dist 8.56968 8.42287 9.29381 9.19079 15.7824 8.92835 numMergedOcc 0
7 mol 70 unq 3 iso 0 dist 8.56968 8.42287 9.29381 8.37742 12.3616 5.07553 numMergedOcc 0
8 mol 70 unq 4 iso 0 dist 7.52623 6.13606 6.40963 8.63204 13.3187 8.92835 numMergedOcc 0
9 mol 70 unq 5 iso 0 dist 7.52623 6.13606 6.40963 5.4014 10.3115 5.07553 numMergedOcc 0
10 mol 70 unq 6 iso 0 dist 7.31655 8.42287 6.40963 9.19079 13.3187 8.92835 numMergedOcc 0
11 mol 70 unq 7 iso 0 dist 7.31655 8.42287 6.40963 8.37742 10.3115 5.07553 numMergedOcc 0
12 mol 70 unq 8 iso 0 dist 5.62294 6.13606 8.69313 8.63204 4.77578 8.92835 numMergedOcc 0
13 mol 70 unq 9 iso 0 dist 5.62294 6.13606 8.69313 5.4014 4.14483 5.07553 numMergedOcc 0
14 mol 70 unq 10 iso 0 dist 7.99569 8.42287 8.69313 9.19079 4.77578 8.92835 numMergedOcc 0
15 mol 70 unq 11 iso 0 dist 7.99569 8.42287 8.69313 8.37742 4.14483 5.07553 numMergedOcc 0
16 mol 133 unq 0 iso 0 dist 7.17226 5.08086 6.61001 8.8639 10.8097 5.75739 numMergedOcc 0
17 mol 133 unq 1 iso 0 dist 7.17226 5.08086 6.61001 7.32009 11.5282 5.46083 numMergedOcc 0
18 mol 154 unq 0 iso 0 dist 5.81632 8.85675 4.70993 8.59532 9.6584 14.2356 numMergedOcc 0
19 mol 184 unq 0 iso 0 dist 7.09847 6.71675 7.4793 8.33147 9.68365 3.7949 numMergedOcc 0
20 mol 184 unq 1 iso 0 dist 7.09847 6.71675 7.4793 8.09403 11.6883 4.67256 numMergedOcc 0
21 mol 195 unq 0 iso 0 dist 8.64561 5.0778 4.65391 8.08491 8.82601 5.60628 numMergedOcc 0
22 mol 205 unq 0 iso 0 dist 6.37411 6.32542 11.9538 9.71147 11.7202 8.8607 numMergedOcc 0
23 mol 205 unq 1 iso 0 dist 6.37411 6.32542 11.9538 6.32553 9.116 5.28417 numMergedOcc 0
24 mol 213 unq 0 iso 0 dist 4.80429 9.65238 6.17282 8.38045 4.06732 5.68665 numMergedOcc 0
25 mol 213 unq 1 iso 0 dist 4.80429 9.65238 6.17282 8.04327 4.31175 8.75651 numMergedOcc 0
26 mol 213 unq 2 iso 0 dist 6.38872 9.65238 12.1116 8.38045 8.37952 5.68665 numMergedOcc 0
27 mol 213 unq 3 iso 0 dist 6.38872 9.65238 12.1116 8.04327 4.89372 8.75651 numMergedOcc 0
28 mol 234 unq 0 iso 0 dist 7.54327 5.74541 5.70413 8.56943 6.00588 10.2835 numMergedOcc 0
29 mol 243 unq 0 iso 0 dist 7.96438 7.30188 5.60791 5.78671 4.09976 5.42682 numMergedOcc 0
30 mol 243 unq 1 iso 0 dist 7.96438 7.30188 5.60791 6.56525 5.45786 3.85188 numMergedOcc 0
31 mol 243 unq 2 iso 0 dist 7.96438 7.30188 5.60791 5.46817 7.11342 4.21383 numMergedOcc 0
32 mol 260 unq 0 iso 0 dist 6.29389 4.76698 4.73121 8.19223 12.7207 12.3914 numMergedOcc 0
33 mol 260 unq 1 iso 0 dist 8.04372 4.76698 11.7168 8.19223 3.83954 12.3914 numMergedOcc 0
34 mol 266 unq 0 iso 0 dist 9.15288 8.31182 9.15303 7.30349 10.1413 10.0756 numMergedOcc 0
35 mol 266 unq 1 iso 0 dist 6.11795 8.31182 9.68991 7.30349 8.24314 10.0756 numMergedOcc 0
36 mol 274 unq 0 iso 0 dist 8.8896 8.18864 7.38014 9.61255 15.0646 16.6645 numMergedOcc 0
37 mol 274 unq 1 iso 0 dist 8.8896 8.18864 7.38014 7.64703 5.70568 10.3776 numMergedOcc 0
