0 mol 20 unq 0 iso 0 dist 8.71628 6.81416 6.31611 6.98731 6.4934 8.72023 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 8.71628 6.81416 6.31611 12.0498 6.93199 12.7734 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 5.97065 8.8533 4.80984 7.89671 8.82012 10.4035 numMergedOcc 0
3 mol 26 unq 1 iso 0 dist 5.97065 8.8533 4.80984 10.1933 9.16962 5.69955 numMergedOcc 0
4 mol 70 unq 0 iso 0 dist 8.06918 4.67358 11.6542 9.17087 8.33704 9.31969 numMergedOcc 0
5 mol 70 unq 1 iso 0 dist 8.06918 4.67358 11.6542 5.33532 7.92394 6.54023 numMergedOcc 0
6 mol 70 unq 2 iso 0 dist 7.52623 4.67358 11.7156 5.33532 9.93423 6.54023 numMergedOcc 0
7 mol 70 unq 3 iso 0 dist 5.62294 4.67358 4.95817 5.33532 9.34122 6.54023 numMergedOcc 0
8 mol 94 unq 0 iso 0 dist 6.64613 7.63006 5.64735 4.7907 8.3586 10.5455 numMergedOcc 0
9 mol 113 unq 0 iso 0 dist 8.94447 9.05365 16.7805 12.7099 6.81812 21.6111 numMergedOcc 0
10 mol 114 unq 0 iso 0 dist 9.6785 5.36473 7.27945 9.04668 6.96442 9.7918 numMergedOcc 0
11 mol 167 unq 0 iso 0 dist 9.4422 6.6276 7.04972 12.4033 8.62646 13.8512 numMergedOcc 0
12 mol 189 unq 0 iso 0 dist 5.79707 9.5853 4.34089 5.56399 6.50241 8.56355 numMergedOcc 0
13 mol 209 unq 0 iso 0 dist 5.20111 9.95951 9.89528 5.35615 9.52027 12.6146 numMergedOcc 0
14 mol 209 unq 1 iso 0 dist 5.20111 6.43914 9.02883 5.35615 9.52027 8.41195 numMergedOcc 0
15 mol 233 unq 0 iso 0 dist 7.99897 7.07507 11.0789 11.5105 9.43203 17.6186 numMergedOcc 0
16 mol 238 unq 0 iso 0 dist 6.50118 5.5826 6.48619 11.0996 9.68513 6.4398 numMergedOcc 0
17 mol 238 unq 1 iso 0 dist 6.50118 5.5826 6.48619 5.18833 9.29858 7.32982 numMergedOcc 0
18 mol 238 unq 2 iso 0 dist 9.3099 5.5826 5.8333 11.1632 9.90142 6.66971 numMergedOcc 0
19 mol 238 unq 3 iso 0 dist 9.3099 5.5826 5.8333 11.0996 5.9216 6.4398 numMergedOcc 0
20 mol 247 unq 0 iso 0 dist 6.34304 9.27226 6.46689 8.49616 6.6838 10.8491 numMergedOcc 0
21 mol 248 unq 0 iso 0 dist 8.39127 9.97871 6.53154 5.8982 8.50864 6.17052 numMergedOcc 0
22 mol 248 unq 1 iso 0 dist 7.96942 9.08064 6.53154 7.63032 8.50864 6.17052 numMergedOcc 0
23 mol 264 unq 0 iso 0 dist 5.50677 9.91954 13.2809 14.447 9.0012 20.2687 numMergedOcc 0
24 mol 264 unq 1 iso 0 dist 8.75957 9.91954 10.9186 14.447 9.5784 20.2687 numMergedOcc 0
25 mol 272 unq 0 iso 0 dist 6.27189 5.84259 4.61146 9.92738 7.67853 11.8555 numMergedOcc 0
26 mol 272 unq 1 iso 0 dist 6.27189 9.00781 6.3139 9.92738 7.67853 9.05222 numMergedOcc 0
27 mol 274 unq 0 iso 0 dist 8.8896 9.27043 8.06664 7.62102 6.50589 11.37 numMergedOcc 0
28 mol 274 unq 1 iso 0 dist 8.8896 7.95244 11.3657 7.62102 6.50589 11.3823 numMergedOcc 0
29 mol 274 unq 2 iso 0 dist 8.8896 5.57832 7.73777 7.62102 6.50589 10.4834 numMergedOcc 0
30 mol 294 unq 0 iso 0 dist 7.86196 5.78275 8.73481 9.62211 9.03492 12.1586 numMergedOcc 0
