0 mol 7 unq 0 iso 0 dist 5.51421 7.81271 5.13353 10.6104 8.41585 11.659 4.60206 5.99972 9.68006 12.0193 numMergedOcc 0
1 mol 8 unq 0 iso 0 dist 7.46102 9.91301 8.4069 8.25051 8.96553 9.62879 10.4489 8.53529 7.18019 4.36226 numMergedOcc 0
2 mol 8 unq 1 iso 0 dist 9.91301 7.46102 8.4069 8.25051 9.62879 8.96553 10.4489 7.18019 8.53529 4.36226 numMergedOcc 0
3 mol 25 unq 0 iso 0 dist 8.40051 8.6396 10.9391 13.466 7.57578 12.7009 4.32173 6.16347 7.45383 9.34396 numMergedOcc 0
4 mol 25 unq 1 iso 0 dist 8.40051 8.6396 10.9391 13.466 7.57578 12.7009 16.0077 13.8469 9.01548 10.5328 numMergedOcc 0
5 mol 25 unq 2 iso 0 dist 8.40051 8.6396 10.9391 14.4191 7.17969 12.8117 4.32173 6.16347 7.45383 10.8498 numMergedOcc 0
6 mol 25 unq 3 iso 0 dist 8.40051 8.6396 10.9391 14.4191 7.17969 12.8117 16.0077 13.8469 9.01548 10.4337 numMergedOcc 0
7 mol 25 unq 4 iso 0 dist 8.6396 8.40051 10.9391 5.8503 5.04899 11.9561 4.32173 7.45383 6.16347 7.33728 numMergedOcc 0
8 mol 25 unq 5 iso 0 dist 8.6396 8.40051 10.9391 5.8503 5.04899 11.9561 15.9662 16.8925 7.92503 19.1927 numMergedOcc 0
9 mol 25 unq 6 iso 0 dist 8.88413 7.63928 10.2779 5.59268 7.17969 11.6743 9.78075 16.1751 6.85556 15.1839 numMergedOcc 0
10 mol 25 unq 7 iso 0 dist 9.87281 8.88413 10.8648 6.17631 7.31767 12.9968 10.7087 16.9331 7.55264 16.3984 numMergedOcc 0
11 mol 25 unq 8 iso 0 dist 9.87281 7.63928 4.51512 6.17631 7.31767 6.03987 9.78075 9.79094 6.85556 5.68392 numMergedOcc 0
12 mol 25 unq 9 iso 0 dist 7.63928 8.88413 10.2779 6.17631 6.03987 12.9968 10.7087 16.0136 7.55264 16.3984 numMergedOcc 0
13 mol 58 unq 0 iso 0 dist 6.36193 4.88613 4.81926 5.40367 6.62496 6.35756 4.37642 5.93884 7.68678 5.78774 numMergedOcc 0
14 mol 58 unq 1 iso 0 dist 4.88613 6.36193 4.81926 5.40367 6.35756 6.62496 4.37642 7.68678 5.93884 5.78774 numMergedOcc 0
15 mol 61 unq 0 iso 0 dist 7.52103 9.22002 6.86346 6.16737 6.72123 6.65721 12.7481 14.4663 9.25641 13.5488 numMergedOcc 0
16 mol 119 unq 0 iso 0 dist 6.18763 8.44385 10.9871 5.3154 6.18601 10.1813 4.01593 9.87889 9.11344 6.42402 numMergedOcc 0
17 mol 119 unq 1 iso 0 dist 6.18763 5.63005 9.93257 5.3154 6.18601 9.72413 4.01593 9.87889 6.52773 6.42402 numMergedOcc 0
18 mol 119 unq 2 iso 0 dist 6.18763 5.63005 9.93257 5.3154 6.18601 9.72413 13.1254 18.192 9.23858 17.9302 numMergedOcc 0
19 mol 119 unq 3 iso 0 dist 8.44385 6.18763 10.9871 12.1192 9.87172 13.9919 6.49348 13.7362 8.00003 18.5424 numMergedOcc 0
20 mol 119 unq 4 iso 0 dist 8.44385 5.63005 4.85907 12.1192 9.87172 12.6489 4.01593 9.11344 6.52773 10.9441 numMergedOcc 0
21 mol 119 unq 5 iso 0 dist 8.44385 5.63005 4.85907 12.1192 9.87172 12.6489 13.1254 12.7677 9.23858 20.1288 numMergedOcc 0
22 mol 119 unq 6 iso 0 dist 5.63005 6.18763 9.93257 10.5268 8.73993 16.4353 6.49348 9.77873 8.00003 15.0404 numMergedOcc 0
23 mol 119 unq 7 iso 0 dist 5.63005 8.44385 4.85907 10.5268 8.73993 10.3704 4.01593 6.52773 9.11344 7.20179 numMergedOcc 0
24 mol 133 unq 0 iso 0 dist 5.82404 9.50322 8.18495 10.2385 6.29155 13.268 16.7326 12.7901 9.22232 16.6599 numMergedOcc 0
25 mol 133 unq 1 iso 0 dist 5.82404 9.50322 8.18495 10.2385 6.29155 13.268 10.2948 13.5028 9.22661 17.8146 numMergedOcc 0
26 mol 133 unq 2 iso 0 dist 5.82404 9.50322 8.18495 10.2385 6.29155 13.268 11.6924 11.8433 7.56378 14.4607 numMergedOcc 0
27 mol 133 unq 3 iso 0 dist 5.82404 9.50322 8.18495 4.64588 6.80239 12.6651 16.7326 12.7901 9.22232 19.3488 numMergedOcc 0
28 mol 133 unq 4 iso 0 dist 5.82404 9.50322 8.18495 4.64588 6.80239 12.6651 10.2948 13.5028 9.22661 13.262 numMergedOcc 0
29 mol 133 unq 5 iso 0 dist 5.82404 9.50322 8.18495 4.64588 6.80239 12.6651 11.6924 11.8433 7.56378 13.1361 numMergedOcc 0
30 mol 133 unq 6 iso 0 dist 5.82404 9.50322 8.18495 5.37072 8.00618 7.11802 16.7326 12.7901 9.22232 16.0138 numMergedOcc 0
31 mol 133 unq 7 iso 0 dist 5.82404 9.50322 8.18495 5.37072 8.00618 7.11802 10.2948 13.5028 9.22661 5.92062 numMergedOcc 0
32 mol 133 unq 8 iso 0 dist 5.82404 9.50322 8.18495 5.37072 8.00618 7.11802 11.6924 11.8433 7.56378 6.61891 numMergedOcc 0
33 mol 206 unq 0 iso 0 dist 9.36079 8.46319 7.73294 13.6173 7.7366 13.9342 4.06474 11.1799 7.29285 16.683 numMergedOcc 0
34 mol 206 unq 1 iso 0 dist 7.42904 9.11298 7.73294 9.96254 7.7366 13.9342 7.56231 11.1799 7.29285 16.683 numMergedOcc 0
35 mol 232 unq 0 iso 0 dist 9.29752 7.70279 6.56633 9.60401 8.27212 10.5803 6.36084 9.40808 8.50102 4.9377 numMergedOcc 0
36 mol 236 unq 0 iso 0 dist 6.11137 7.89744 6.59448 15.1664 9.99038 13.864 5.55311 9.89 7.1686 18.6849 numMergedOcc 0
37 mol 236 unq 1 iso 0 dist 6.11137 7.89744 6.59448 9.01197 6.27581 10.9008 5.55311 9.89 7.1686 13.1168 numMergedOcc 0
