0 mol 7 unq 0 iso 0 dist 7.21217 5.07985 6.1206 13.2513 13.2247 9.87885 12.4418 9.36807 7.92429 6.36911 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 5.84479 6.04677 8.43054 9.18436 6.92781 6.57331 5.1298 5.47769 4.68733 7.03948 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 7.84983 5.04521 9.22598 9.56737 4.81926 8.96727 17.0485 11.5023 14.6599 8.89374 numMergedOcc 0
3 mol 58 unq 1 iso 0 dist 9.56737 5.04521 8.96727 7.84983 4.81926 9.22598 11.5448 9.66798 8.59939 9.64665 numMergedOcc 0
4 mol 89 unq 0 iso 0 dist 9.58625 3.30729 8.40422 6.36021 6.50464 5.51831 7.37332 14.8208 8.44919 8.75946 numMergedOcc 0
5 mol 142 unq 0 iso 0 dist 7.57458 9.23267 7.81207 10.5524 5.32922 6.14151 5.81429 7.15475 5.26247 9.07935 numMergedOcc 0
6 mol 181 unq 0 iso 0 dist 6.43406 5.71744 5.05973 11.5992 11.5866 9.01624 14.5433 16.7285 12.2513 7.98142 numMergedOcc 0
7 mol 181 unq 1 iso 0 dist 6.43406 5.71744 5.05973 11.5992 11.5866 9.01624 18.0588 18.3916 14.8923 7.37327 numMergedOcc 0
8 mol 224 unq 0 iso 0 dist 9.29703 9.56183 6.8692 11.1052 8.49799 8.79428 7.05732 10.667 10.9705 6.65984 numMergedOcc 0
9 mol 235 unq 0 iso 0 dist 7.2346 5.39025 5.1823 10.5214 7.218 8.19317 9.5053 7.32211 4.47008 6.98084 numMergedOcc 0
10 mol 235 unq 1 iso 0 dist 7.2346 4.3433 5.70635 10.5214 7.218 6.29377 9.5053 7.32211 7.34601 6.98084 numMergedOcc 0
11 mol 238 unq 0 iso 0 dist 5.24313 12.4194 9.12776 16.0821 15.7907 9.72188 10.1372 12.3367 11.7938 9.29858 numMergedOcc 0
12 mol 238 unq 1 iso 0 dist 9.31417 13.338 9.72188 21.1413 15.7907 9.12776 27.5078 21.3432 15.4844 6.55759 numMergedOcc 0
13 mol 238 unq 2 iso 0 dist 9.31417 13.338 9.72188 21.1413 15.7907 9.12776 24.8978 17.436 13.037 7.02475 numMergedOcc 0
14 mol 238 unq 3 iso 0 dist 9.31417 13.338 9.72188 21.1413 15.7907 9.12776 20.1127 12.1104 9.75095 7.67322 numMergedOcc 0
15 mol 238 unq 4 iso 0 dist 9.31417 13.338 9.72188 21.1413 15.7907 9.12776 19.3712 15.0465 6.12722 7.19008 numMergedOcc 0
16 mol 238 unq 5 iso 0 dist 5.56719 12.046 9.72188 19.8325 15.7907 9.12776 25.8996 21.3432 15.4844 6.55759 numMergedOcc 0
17 mol 238 unq 6 iso 0 dist 5.56719 12.046 9.72188 19.8325 15.7907 9.12776 22.319 17.436 13.037 7.02475 numMergedOcc 0
18 mol 238 unq 7 iso 0 dist 5.56719 12.046 9.72188 19.8325 15.7907 9.12776 17.1704 12.1104 9.75095 7.67322 numMergedOcc 0
19 mol 238 unq 8 iso 0 dist 5.56719 12.046 9.72188 19.8325 15.7907 9.12776 17.8664 15.0465 6.12722 7.19008 numMergedOcc 0
20 mol 257 unq 0 iso 0 dist 8.69184 6.70515 6.34915 8.18901 5.74182 7.81897 9.38826 10.9918 7.89807 7.27505 numMergedOcc 0
21 mol 259 unq 0 iso 0 dist 6.77279 9.90573 9.07743 9.58006 4.69778 7.66153 15.1483 10.9591 14.0829 7.48005 numMergedOcc 0
22 mol 259 unq 1 iso 0 dist 7.93997 7.06301 5.85442 9.52383 9.98105 6.9899 12.0435 14.5785 9.2872 6.77938 numMergedOcc 0
23 mol 259 unq 2 iso 0 dist 7.93997 7.06301 5.85442 9.52383 9.98105 6.9899 9.53336 10.4634 4.61451 7.76676 numMergedOcc 0
24 mol 277 unq 0 iso 0 dist 9.02914 13.3706 5.46926 6.90434 7.08227 8.9682 9.14131 15.6511 18.3854 9.41725 numMergedOcc 0
25 mol 277 unq 1 iso 0 dist 9.02914 12.1739 5.13913 6.90434 7.08227 6.92711 9.14131 15.6511 16.1088 9.41725 numMergedOcc 0
26 mol 277 unq 2 iso 0 dist 9.98528 19.5312 9.57499 19.4967 11.8268 8.9682 23.5033 19.0768 18.3854 9.41725 numMergedOcc 0
