0 mol 26 unq 0 iso 0 dist 8.65828 9.97152 5.90446 8.36742 4.28862 9.95805 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 8.65828 9.97152 5.90446 8.10028 4.93643 6.01782 numMergedOcc 0
2 mol 26 unq 2 iso 0 dist 8.65828 9.03539 13.4501 8.36742 4.28862 12.6238 numMergedOcc 0
3 mol 26 unq 3 iso 0 dist 8.65828 9.03539 13.4501 8.10028 4.93643 15.703 numMergedOcc 0
4 mol 26 unq 4 iso 0 dist 8.65828 8.74037 6.45037 8.36742 4.28862 9.50999 numMergedOcc 0
5 mol 26 unq 5 iso 0 dist 8.65828 8.74037 6.45037 8.10028 4.93643 8.95052 numMergedOcc 0
6 mol 37 unq 0 iso 0 dist 9.21102 9.98549 10.9726 8.5893 12.5114 13.5002 numMergedOcc 0
7 mol 37 unq 1 iso 0 dist 6.84257 9.98549 14.1513 8.5893 6.15909 13.5002 numMergedOcc 0
8 mol 39 unq 0 iso 0 dist 8.86053 7.54441 4.40395 8.82943 10.8914 10.7038 numMergedOcc 0
9 mol 39 unq 1 iso 0 dist 8.86053 9.84326 10.026 8.82943 10.8914 10.1717 numMergedOcc 0
10 mol 39 unq 2 iso 0 dist 8.76925 7.54441 5.93243 8.82943 13.1234 10.7038 numMergedOcc 0
11 mol 39 unq 3 iso 0 dist 8.76925 9.84326 5.03446 8.82943 13.1234 10.1717 numMergedOcc 0
12 mol 54 unq 0 iso 0 dist 6.29755 8.41365 10.1493 9.63616 15.2635 10.2702 numMergedOcc 0
13 mol 54 unq 1 iso 0 dist 7.4038 8.41365 14.043 9.63616 16.9039 10.2702 numMergedOcc 0
14 mol 141 unq 0 iso 0 dist 9.49584 8.10681 13.5737 9.50762 5.57954 11.6359 numMergedOcc 0
15 mol 141 unq 1 iso 0 dist 9.49584 8.10681 13.5737 7.57472 15.0685 9.08526 numMergedOcc 0
16 mol 141 unq 2 iso 0 dist 9.49584 4.69823 6.76263 9.50762 5.57954 5.30105 numMergedOcc 0
17 mol 141 unq 3 iso 0 dist 9.49584 4.69823 6.76263 7.57472 15.0685 8.96466 numMergedOcc 0
18 mol 151 unq 0 iso 0 dist 7.93343 7.48309 11.1953 8.16646 8.30893 4.26123 numMergedOcc 0
19 mol 151 unq 1 iso 0 dist 5.89468 7.48309 11.9263 8.16646 10.4799 4.26123 numMergedOcc 0
20 mol 172 unq 0 iso 0 dist 5.28889 8.52605 13.0424 7.3485 9.6831 5.76093 numMergedOcc 0
21 mol 172 unq 1 iso 0 dist 4.90175 8.52605 4.71027 7.3485 7.16279 5.76093 numMergedOcc 0
22 mol 184 unq 0 iso 0 dist 8.49577 7.95111 5.81835 9.511 6.83738 7.71503 numMergedOcc 0
23 mol 184 unq 1 iso 0 dist 8.49577 7.95111 5.81835 7.72354 4.57656 4.11581 numMergedOcc 0
24 mol 193 unq 0 iso 0 dist 8.71993 8.52642 13.241 6.10013 4.8988 9.95269 numMergedOcc 0
25 mol 210 unq 0 iso 0 dist 8.94889 5.57537 6.06056 8.44451 7.85817 3.82667 numMergedOcc 0
26 mol 270 unq 0 iso 0 dist 6.32507 7.06085 6.86892 5.2559 4.68028 7.39875 numMergedOcc 0
27 mol 279 unq 0 iso 0 dist 8.51994 8.46687 9.01973 5.76793 6.55422 9.55749 numMergedOcc 0
28 mol 279 unq 1 iso 0 dist 8.51994 8.46687 9.01973 7.72276 6.12997 6.58695 numMergedOcc 0
29 mol 291 unq 0 iso 0 dist 9.20449 6.29284 9.03314 7.02207 12.4309 3.70474 numMergedOcc 0
