0 mol 26 unq 0 iso 0 dist 6.32127 9.77186 9.5053 5.34406 9.11311 12.4814 numMergedOcc 0
1 mol 28 unq 0 iso 0 dist 6.68029 5.63384 7.40415 6.20494 5.19518 6.37119 numMergedOcc 0
2 mol 28 unq 1 iso 0 dist 6.44166 12.2072 7.40415 7.05692 5.19518 6.37119 numMergedOcc 0
3 mol 44 unq 0 iso 0 dist 9.52676 9.32021 7.03307 14.6534 6.53981 10.0772 numMergedOcc 0
4 mol 56 unq 0 iso 0 dist 6.72703 5.92019 6.99108 5.84579 9.09425 3.91174 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 6.25276 6.38454 6.66954 4.5706 9.32778 10.9502 numMergedOcc 0
6 mol 90 unq 0 iso 0 dist 8.54821 7.4595 7.31784 9.22808 8.61893 4.67883 numMergedOcc 0
7 mol 141 unq 0 iso 0 dist 5.80081 6.27844 9.78667 5.22187 4.92382 11.2139 numMergedOcc 0
8 mol 141 unq 1 iso 0 dist 5.80081 6.2491 8.47026 5.22187 4.92382 10.7006 numMergedOcc 0
9 mol 141 unq 2 iso 0 dist 9.45931 12.0446 6.73983 8.07317 8.40695 13.2445 numMergedOcc 0
10 mol 141 unq 3 iso 0 dist 9.45931 12.0446 6.73983 5.69432 9.35867 11.2655 numMergedOcc 0
11 mol 141 unq 4 iso 0 dist 9.45931 15.1652 8.6387 8.07317 8.40695 14.0635 numMergedOcc 0
12 mol 141 unq 5 iso 0 dist 9.45931 15.1652 8.6387 5.69432 9.35867 12.7431 numMergedOcc 0
13 mol 141 unq 6 iso 0 dist 6.49728 6.27844 6.73983 14.253 8.40695 13.2445 numMergedOcc 0
14 mol 141 unq 7 iso 0 dist 6.49728 6.27844 6.73983 14.7502 9.35867 11.2655 numMergedOcc 0
15 mol 141 unq 8 iso 0 dist 6.49728 6.2491 8.6387 14.253 8.40695 14.0635 numMergedOcc 0
16 mol 141 unq 9 iso 0 dist 6.49728 6.2491 8.6387 14.7502 9.35867 12.7431 numMergedOcc 0
17 mol 141 unq 10 iso 0 dist 6.35397 12.0446 7.64956 5.69432 9.38036 11.2655 numMergedOcc 0
18 mol 153 unq 0 iso 0 dist 9.92288 7.76711 7.3061 9.47274 7.97325 4.50321 numMergedOcc 0
19 mol 186 unq 0 iso 0 dist 9.38735 5.26093 4.5271 10.6233 7.37629 6.50208 numMergedOcc 0
20 mol 186 unq 1 iso 0 dist 9.38735 5.26093 4.5271 11.0175 5.68985 6.3786 numMergedOcc 0
21 mol 186 unq 2 iso 0 dist 8.89293 5.26093 7.02575 5.12831 8.2241 8.54557 numMergedOcc 0
22 mol 205 unq 0 iso 0 dist 9.47112 11.7574 8.07076 8.98996 6.81516 4.16557 numMergedOcc 0
23 mol 205 unq 1 iso 0 dist 9.47112 11.7574 8.07076 17.5993 9.17562 8.70828 numMergedOcc 0
24 mol 205 unq 2 iso 0 dist 9.47112 12.8469 5.95375 8.98996 6.81516 7.1653 numMergedOcc 0
25 mol 205 unq 3 iso 0 dist 9.47112 12.8469 5.95375 17.5993 9.17562 6.72925 numMergedOcc 0
26 mol 205 unq 4 iso 0 dist 9.47112 15.0925 9.17946 8.98996 6.81516 11.5523 numMergedOcc 0
27 mol 205 unq 5 iso 0 dist 9.47112 15.0925 9.17946 17.5993 9.17562 10.2944 numMergedOcc 0
28 mol 222 unq 0 iso 0 dist 8.37652 7.45292 8.88664 4.94807 6.24462 3.98816 numMergedOcc 0
29 mol 250 unq 0 iso 0 dist 9.5174 9.67078 5.93798 9.31162 9.25035 11.0798 numMergedOcc 0
30 mol 253 unq 0 iso 0 dist 7.06589 5.37783 8.15091 5.90516 9.82605 8.4971 numMergedOcc 0
31 mol 253 unq 1 iso 0 dist 7.06589 5.37783 8.15091 4.67411 9.73723 4.30218 numMergedOcc 0
32 mol 253 unq 2 iso 0 dist 8.70383 14.5125 8.15091 16.0043 9.82605 8.4971 numMergedOcc 0
33 mol 253 unq 3 iso 0 dist 8.70383 14.5125 8.15091 16.1168 9.73723 4.30218 numMergedOcc 0
34 mol 278 unq 0 iso 0 dist 9.58671 5.37654 7.21972 5.85558 8.1769 8.48896 numMergedOcc 0
35 mol 278 unq 1 iso 0 dist 9.58671 5.37654 7.21972 4.62289 7.1656 4.35961 numMergedOcc 0
36 mol 278 unq 2 iso 0 dist 8.60481 9.21229 7.21972 6.59605 8.1769 8.48896 numMergedOcc 0
37 mol 278 unq 3 iso 0 dist 8.60481 9.21229 7.21972 5.55931 7.1656 4.35961 numMergedOcc 0
