0 mol 7 unq 0 iso 0 dist 6.36911 6.28925 7.58143 9.87885 7.92429 5.35168 6.88805 8.81608 8.48947 12.8006 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.36807 8.70159 7.58143 6.1206 7.92429 5.35168 13.156 8.81608 8.48947 12.8006 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 9.36807 8.70159 7.58143 7.67927 11.2233 10.1219 13.156 8.81608 8.48947 17.4215 numMergedOcc 0
3 mol 21 unq 0 iso 0 dist 6.08338 9.35137 8.37543 5.93898 4.28381 4.32991 14.0241 9.35562 9.94556 9.6925 numMergedOcc 0
4 mol 21 unq 1 iso 0 dist 6.08338 9.35137 8.37543 5.93898 4.28381 4.32991 4.20001 8.63857 12.9278 9.62989 numMergedOcc 0
5 mol 21 unq 2 iso 0 dist 6.08338 7.81429 7.51251 5.93898 4.28381 9.28636 14.0241 9.35562 16.5821 9.6925 numMergedOcc 0
6 mol 21 unq 3 iso 0 dist 6.08338 7.81429 7.51251 5.93898 4.28381 9.28636 4.20001 8.63857 10.1011 9.62989 numMergedOcc 0
7 mol 21 unq 4 iso 0 dist 6.08338 9.39415 5.4965 5.93898 4.28381 8.91628 14.0241 9.35562 13.1357 9.6925 numMergedOcc 0
8 mol 21 unq 5 iso 0 dist 6.08338 9.39415 5.4965 5.93898 4.28381 8.91628 4.20001 8.63857 11.3621 9.62989 numMergedOcc 0
9 mol 72 unq 0 iso 0 dist 6.77912 8.96978 6.33215 7.12321 9.88768 6.82436 10.0679 9.37102 13.3194 13.1318 numMergedOcc 0
10 mol 72 unq 1 iso 0 dist 6.77912 8.96978 6.33215 7.12321 9.88768 6.82436 5.69391 5.4605 10.3825 10.6668 numMergedOcc 0
11 mol 72 unq 2 iso 0 dist 6.77912 8.96978 6.33215 7.12321 9.88768 6.82436 4.03844 6.53824 11.1011 10.9996 numMergedOcc 0
12 mol 86 unq 0 iso 0 dist 7.79359 6.81209 7.20037 7.90423 9.49725 11.0058 5.9022 5.88159 6.15557 12.1672 numMergedOcc 0
13 mol 117 unq 0 iso 0 dist 6.62561 8.2236 6.37061 6.10127 6.95589 3.96477 7.20875 9.94053 13.6651 12.9113 numMergedOcc 0
14 mol 134 unq 0 iso 0 dist 8.94837 8.65986 12.3237 9.00918 5.58312 15.3248 11.5407 5.52149 14.4215 9.54071 numMergedOcc 0
15 mol 134 unq 1 iso 0 dist 8.94837 8.65986 12.3237 7.99477 9.61537 15.8799 11.5407 5.52149 14.4215 13.1518 numMergedOcc 0
16 mol 213 unq 0 iso 0 dist 6.0965 8.29133 10.4683 8.21793 4.31175 9.56732 10.1881 8.65196 8.52247 9.67366 numMergedOcc 0
17 mol 213 unq 1 iso 0 dist 9.59129 8.29133 8.3461 8.21793 4.89372 9.56732 10.1881 5.461 8.52247 9.67366 numMergedOcc 0
18 mol 225 unq 0 iso 0 dist 5.50387 9.31373 7.96309 8.1945 3.92979 5.95485 4.7456 5.93063 12.4507 9.81207 numMergedOcc 0
19 mol 234 unq 0 iso 0 dist 9.5707 6.35438 10.0213 7.81215 11.8229 4.76962 3.95629 8.27411 9.18416 11.2575 numMergedOcc 0
20 mol 234 unq 1 iso 0 dist 9.5707 6.35438 10.0213 7.81215 11.8229 4.76962 15.9732 6.96257 14.1796 15.8278 numMergedOcc 0
21 mol 234 unq 2 iso 0 dist 7.85175 6.35438 6.81789 7.81215 10.5304 4.76962 3.95629 7.36208 9.18416 11.2575 numMergedOcc 0
22 mol 235 unq 0 iso 0 dist 6.98084 7.48753 6.12136 8.19317 4.47008 5.67913 8.26028 7.02029 12.0964 10.8515 numMergedOcc 0
23 mol 235 unq 1 iso 0 dist 6.98084 7.48753 6.12136 6.29377 7.34601 4.80217 8.26028 7.02029 12.0964 12.5813 numMergedOcc 0
24 mol 259 unq 0 iso 0 dist 7.48005 7.64122 5.15985 9.63573 9.98303 5.82108 10.282 8.84648 13.4392 16.6762 numMergedOcc 0
25 mol 259 unq 1 iso 0 dist 7.48005 7.64122 5.15985 9.63573 9.98303 5.82108 10.067 6.23661 9.14466 10.9441 numMergedOcc 0
26 mol 259 unq 2 iso 0 dist 7.48005 7.64122 5.15985 7.66153 14.0829 11.464 10.282 8.84648 13.4392 17.7558 numMergedOcc 0
27 mol 259 unq 3 iso 0 dist 7.48005 7.64122 5.15985 7.66153 14.0829 11.464 10.067 6.23661 9.14466 16.4118 numMergedOcc 0
