0 mol 18 unq 0 iso 0 dist 5.03976 10.3745 8.80193 11.9034 9.4067 5.59658 numMergedOcc 0
1 mol 18 unq 1 iso 0 dist 5.03976 10.3745 8.80193 9.7728 9.14029 7.94376 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 7.13638 4.35705 7.6481 10.638 10.5052 6.41008 numMergedOcc 0
3 mol 61 unq 0 iso 0 dist 9.63008 5.3464 7.46994 14.7991 10.3452 9.83914 numMergedOcc 0
4 mol 61 unq 1 iso 0 dist 8.07958 6.19026 7.46994 15.2342 10.3452 9.83914 numMergedOcc 0
5 mol 62 unq 0 iso 0 dist 8.74341 9.70436 6.04903 13.2429 5.27573 8.21895 numMergedOcc 0
6 mol 79 unq 0 iso 0 dist 7.11013 12.6241 9.63599 18.0463 12.7451 7.56495 numMergedOcc 0
7 mol 79 unq 1 iso 0 dist 7.11013 12.6241 9.63599 16.7534 13.0682 7.63923 numMergedOcc 0
8 mol 79 unq 2 iso 0 dist 7.11013 12.6241 9.63599 12.7824 6.2688 8.23095 numMergedOcc 0
9 mol 85 unq 0 iso 0 dist 7.46478 4.32784 6.05495 8.15861 10.803 8.04853 numMergedOcc 0
10 mol 85 unq 1 iso 0 dist 7.46478 4.32784 6.05495 10.0423 7.59464 6.46549 numMergedOcc 0
11 mol 119 unq 0 iso 0 dist 9.70951 14.2606 7.26955 12.2806 3.71283 6.21165 numMergedOcc 0
12 mol 128 unq 0 iso 0 dist 5.89919 6.06511 6.98158 12.9828 10.624 7.4442 numMergedOcc 0
13 mol 128 unq 1 iso 0 dist 8.04178 7.34304 6.98158 13.1835 10.624 7.4442 numMergedOcc 0
14 mol 134 unq 0 iso 0 dist 6.33375 11.528 6.21403 11.7716 5.45 5.13405 numMergedOcc 0
15 mol 146 unq 0 iso 0 dist 9.39237 4.43511 6.50043 11.0295 6.19717 6.73137 numMergedOcc 0
16 mol 146 unq 1 iso 0 dist 9.39237 9.31627 9.44952 11.0295 6.19717 5.95148 numMergedOcc 0
17 mol 158 unq 0 iso 0 dist 7.63085 6.99918 9.6096 6.51748 5.30823 4.6512 numMergedOcc 0
18 mol 181 unq 0 iso 0 dist 7.82604 10.5886 5.95304 16.4827 10.4087 9.20617 numMergedOcc 0
19 mol 184 unq 0 iso 0 dist 4.54491 6.01155 6.44904 13.6484 11.1303 9.62748 numMergedOcc 0
20 mol 184 unq 1 iso 0 dist 4.54491 6.01155 6.44904 5.86468 3.88336 5.12964 numMergedOcc 0
21 mol 186 unq 0 iso 0 dist 7.55974 5.48326 8.97471 7.00382 6.54455 8.2241 numMergedOcc 0
22 mol 238 unq 0 iso 0 dist 8.26544 4.37382 7.15195 10.4476 4.17214 7.49502 numMergedOcc 0
23 mol 266 unq 0 iso 0 dist 9.28273 6.33919 9.71152 9.2684 11.7541 7.63543 numMergedOcc 0
24 mol 291 unq 0 iso 0 dist 8.62881 5.94973 6.27039 10.1014 3.70474 5.40381 numMergedOcc 0
25 mol 292 unq 0 iso 0 dist 8.66938 7.79184 5.7131 16.7092 11.1017 9.373 numMergedOcc 0
26 mol 292 unq 1 iso 0 dist 9.97399 6.25614 5.7131 13.4941 11.1017 9.373 numMergedOcc 0
