0 mol 7 unq 0 iso 0 dist 9.49401 17.3986 8.02892 14.92 6.14469 6.11915 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 9.05101 5.59831 9.47699 4.28801 9.49774 4.49937 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 6.54052 9.45804 5.7405 11.754 9.17082 14.2744 numMergedOcc 0
3 mol 55 unq 0 iso 0 dist 9.3341 13.0348 9.95327 14.1948 9.93096 13.3028 numMergedOcc 0
4 mol 55 unq 1 iso 0 dist 9.3341 12.2639 7.50825 14.1948 9.93096 5.78969 numMergedOcc 0
5 mol 93 unq 0 iso 0 dist 8.29506 6.68872 5.76109 4.41856 8.74378 5.15472 numMergedOcc 0
6 mol 93 unq 1 iso 0 dist 7.24843 6.433 5.76109 4.39585 8.74378 5.15472 numMergedOcc 0
7 mol 93 unq 2 iso 0 dist 6.58492 6.68872 8.0955 4.41856 8.89417 5.15472 numMergedOcc 0
8 mol 93 unq 3 iso 0 dist 6.58492 6.68872 8.0955 5.93923 9.95255 9.30737 numMergedOcc 0
9 mol 93 unq 4 iso 0 dist 7.63783 6.433 8.0955 4.39585 8.89417 5.15472 numMergedOcc 0
10 mol 93 unq 5 iso 0 dist 7.63783 6.433 8.0955 12.2294 9.95255 9.30737 numMergedOcc 0
11 mol 141 unq 0 iso 0 dist 6.93424 13.0903 7.35385 12.0582 6.75376 7.20376 numMergedOcc 0
12 mol 141 unq 1 iso 0 dist 6.8891 13.0903 8.35864 12.0582 9.10042 7.20376 numMergedOcc 0
13 mol 141 unq 2 iso 0 dist 6.8891 13.0903 8.35864 13.5187 9.75059 10.1764 numMergedOcc 0
14 mol 141 unq 3 iso 0 dist 6.8891 13.0903 8.35864 10.0354 6.83404 14.3045 numMergedOcc 0
15 mol 156 unq 0 iso 0 dist 6.29351 4.20702 8.60394 5.57422 5.41575 6.63678 numMergedOcc 0
16 mol 156 unq 1 iso 0 dist 6.29351 4.20702 8.60394 10.4496 6.86566 10.2316 numMergedOcc 0
17 mol 184 unq 0 iso 0 dist 9.13228 13.0222 5.0207 13.8418 7.54099 8.44389 numMergedOcc 0
18 mol 192 unq 0 iso 0 dist 9.9312 13.5387 9.99783 4.13141 9.36796 12.9926 numMergedOcc 0
19 mol 196 unq 0 iso 0 dist 9.42877 6.47651 9.47404 11.3347 7.21349 8.3459 numMergedOcc 0
20 mol 226 unq 0 iso 0 dist 8.22952 12.1098 9.61639 7.04199 5.70795 13.4246 numMergedOcc 0
21 mol 249 unq 0 iso 0 dist 6.7282 7.89655 4.68783 7.64577 5.9627 4.30062 numMergedOcc 0
22 mol 256 unq 0 iso 0 dist 5.2801 12.6693 7.40057 7.49849 6.33496 10.7996 numMergedOcc 0
23 mol 256 unq 1 iso 0 dist 5.2801 12.6693 7.40057 9.92311 6.00636 6.82173 numMergedOcc 0
24 mol 256 unq 2 iso 0 dist 5.2801 12.6693 7.40057 5.91322 7.81448 14.0229 numMergedOcc 0
25 mol 256 unq 3 iso 0 dist 5.2801 12.6693 7.40057 5.49322 8.54499 15.2736 numMergedOcc 0
26 mol 277 unq 0 iso 0 dist 9.7625 6.7593 5.92532 4.44586 8.20644 5.10104 numMergedOcc 0
