0 mol 88 unq 0 iso 0 dist 8.71603 9.86323 9.36773 5.3018 8.31336 5.57085 15.5467 12.1193 7.80898 12.785 numMergedOcc 0
1 mol 95 unq 0 iso 0 dist 6.5136 11.085 8.03644 7.08612 7.27724 8.41707 17.2266 15.6249 8.27883 15.6447 numMergedOcc 0
2 mol 95 unq 1 iso 0 dist 6.5136 11.085 8.03644 7.08612 7.27724 8.41707 16.3593 12.4896 5.75428 14.0772 numMergedOcc 0
3 mol 95 unq 2 iso 0 dist 6.5136 11.085 8.03644 7.08612 7.27724 8.41707 18.8352 14.2178 8.57395 14.1515 numMergedOcc 0
4 mol 95 unq 3 iso 0 dist 6.5136 11.085 8.03644 7.08612 7.27724 8.41707 14.3836 8.78079 9.85409 10.3132 numMergedOcc 0
5 mol 117 unq 0 iso 0 dist 8.98848 14.6144 7.90328 10.0436 7.83136 7.22206 18.8932 10.5783 6.10127 11.6387 numMergedOcc 0
6 mol 117 unq 1 iso 0 dist 8.98848 14.6144 7.90328 6.81312 7.0603 9.3584 18.8932 10.5783 6.10127 14.762 numMergedOcc 0
7 mol 117 unq 2 iso 0 dist 8.98848 10.0436 7.83136 14.6144 7.90328 7.22206 8.15473 3.55765 8.19331 10.4223 numMergedOcc 0
8 mol 117 unq 3 iso 0 dist 8.98848 10.0436 7.83136 6.81312 7.0603 7.21564 8.15473 3.55765 8.19331 8.85711 numMergedOcc 0
9 mol 117 unq 4 iso 0 dist 8.98848 6.81312 7.0603 14.6144 7.90328 9.3584 8.15473 3.55765 8.85711 10.4223 numMergedOcc 0
10 mol 117 unq 5 iso 0 dist 8.98848 6.81312 7.0603 10.0436 7.83136 7.21564 8.15473 3.55765 8.85711 8.19331 numMergedOcc 0
11 mol 129 unq 0 iso 0 dist 9.06272 10.7142 5.83384 8.2292 9.61051 9.05135 15.5462 9.00231 5.58833 14.5521 numMergedOcc 0
12 mol 134 unq 0 iso 0 dist 8.5778 13.5276 6.49416 10.2414 6.54501 5.00526 16.7168 12.3479 9.33094 11.2896 numMergedOcc 0
13 mol 142 unq 0 iso 0 dist 6.91573 12.444 9.2313 7.18287 5.31024 5.32922 9.64785 4.67662 7.81207 6.14151 numMergedOcc 0
14 mol 142 unq 1 iso 0 dist 6.91573 12.444 9.2313 7.18287 5.31024 5.32922 17.5501 13.5913 7.18002 10.7696 numMergedOcc 0
15 mol 142 unq 2 iso 0 dist 6.91573 7.18287 5.31024 12.444 9.2313 5.32922 9.64785 4.67662 6.14151 7.81207 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 8.58465 6.37463 7.54065 10.9291 9.70748 13.8792 12.9635 11.0961 6.61112 18.4751 numMergedOcc 0
17 mol 186 unq 1 iso 0 dist 8.58465 6.37463 7.54065 5.22923 8.87694 5.74635 12.9635 11.0961 6.61112 11.456 numMergedOcc 0
18 mol 222 unq 0 iso 0 dist 8.81925 12.5625 7.21333 9.75789 8.01589 13.3522 10.8651 6.84862 5.56538 14.4477 numMergedOcc 0
19 mol 222 unq 1 iso 0 dist 8.81925 12.5625 7.21333 9.75789 8.01589 13.3522 10.5998 9.53117 7.48954 16.3082 numMergedOcc 0
20 mol 222 unq 2 iso 0 dist 8.81925 12.5625 7.21333 12.7799 7.7699 5.24516 10.8651 6.84862 5.56538 10.0233 numMergedOcc 0
21 mol 222 unq 3 iso 0 dist 8.81925 12.5625 7.21333 12.7799 7.7699 5.24516 10.5998 9.53117 7.48954 11.839 numMergedOcc 0
22 mol 234 unq 0 iso 0 dist 9.5181 4.94699 6.7625 9.15708 9.36357 5.88703 11.3427 5.75498 7.81215 11.6391 numMergedOcc 0
23 mol 238 unq 0 iso 0 dist 9.09166 9.48707 7.31233 6.74773 6.22714 5.34096 15.4211 10.3162 9.12776 8.69015 numMergedOcc 0
