0 mol 9 unq 0 iso 0 dist 5.87266 14.9544 9.82483 11.607 8.076 6.0397 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 9.60462 10.7245 9.82483 5.94302 8.076 6.0397 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 5.78238 8.08994 8.62284 12.1924 9.69752 5.90981 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 5.78238 8.08994 8.62284 14.9821 9.36461 13.719 numMergedOcc 0
4 mol 34 unq 0 iso 0 dist 4.75558 11.648 6.93364 9.05396 6.15801 6.45654 numMergedOcc 0
5 mol 34 unq 1 iso 0 dist 4.75558 11.648 6.93364 9.98702 9.63403 11.9626 numMergedOcc 0
6 mol 34 unq 2 iso 0 dist 4.75558 11.648 6.93364 4.78533 8.07314 14.1223 numMergedOcc 0
7 mol 34 unq 3 iso 0 dist 4.75558 10.4361 6.34821 9.05396 6.15801 7.35043 numMergedOcc 0
8 mol 34 unq 4 iso 0 dist 4.75558 10.4361 6.34821 9.98702 9.63403 13.4874 numMergedOcc 0
9 mol 34 unq 5 iso 0 dist 4.75558 10.4361 6.34821 4.78533 8.07314 12.0754 numMergedOcc 0
10 mol 44 unq 0 iso 0 dist 8.6578 11.6488 9.17518 6.30672 7.03307 9.05795 numMergedOcc 0
11 mol 44 unq 1 iso 0 dist 8.6578 11.6488 9.17518 10.7753 7.25707 6.37181 numMergedOcc 0
12 mol 44 unq 2 iso 0 dist 8.6578 15.1165 8.21833 6.30672 7.03307 11.814 numMergedOcc 0
13 mol 44 unq 3 iso 0 dist 8.6578 15.1165 8.21833 10.7753 7.25707 7.77924 numMergedOcc 0
14 mol 68 unq 0 iso 0 dist 8.8466 7.25049 8.80104 6.99666 6.40693 7.66647 numMergedOcc 0
15 mol 194 unq 0 iso 0 dist 9.13708 18.6899 9.77862 13.9769 5.68348 5.63279 numMergedOcc 0
16 mol 210 unq 0 iso 0 dist 8.53457 12.7024 6.4829 11.3555 5.57779 5.96222 numMergedOcc 0
17 mol 210 unq 1 iso 0 dist 8.53457 12.7024 6.4829 4.94588 7.05649 10.1011 numMergedOcc 0
18 mol 210 unq 2 iso 0 dist 8.53457 12.7024 6.4829 6.61563 6.78579 12.5026 numMergedOcc 0
19 mol 248 unq 0 iso 0 dist 7.21518 11.2533 8.42446 5.81577 7.97135 9.5697 numMergedOcc 0
20 mol 261 unq 0 iso 0 dist 9.62681 12.798 9.24121 5.22824 8.61563 10.0785 numMergedOcc 0
21 mol 272 unq 0 iso 0 dist 6.49719 12.1002 7.55161 7.70017 9.18635 12.015 numMergedOcc 0
22 mol 272 unq 1 iso 0 dist 5.7564 11.0654 7.55161 4.49628 9.18635 12.015 numMergedOcc 0
23 mol 279 unq 0 iso 0 dist 7.92537 10.8222 8.23056 8.23428 9.30921 6.29016 numMergedOcc 0
24 mol 282 unq 0 iso 0 dist 9.72264 9.88329 9.96468 5.04943 8.53065 6.18986 numMergedOcc 0
25 mol 282 unq 1 iso 0 dist 9.72264 9.88329 9.96468 15.7367 8.67489 9.09482 numMergedOcc 0
26 mol 282 unq 2 iso 0 dist 9.72264 12.6428 9.59817 5.04943 8.53065 10.2999 numMergedOcc 0
27 mol 282 unq 3 iso 0 dist 9.72264 12.6428 9.59817 15.7367 8.67489 6.21176 numMergedOcc 0
