0 mol 11 unq 0 iso 0 dist 9.88519 5.61631 8.70462 11.7185 7.5459 7.18398 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 8.06254 7.85023 8.70462 11.1876 7.5459 7.18398 numMergedOcc 0
2 mol 11 unq 2 iso 0 dist 8.12184 7.89746 8.7143 11.3074 7.5459 7.51068 numMergedOcc 0
3 mol 26 unq 0 iso 0 dist 6.32127 9.77186 9.5053 8.08257 6.56527 5.66783 numMergedOcc 0
4 mol 44 unq 0 iso 0 dist 9.52676 9.32021 7.03307 9.5746 7.48846 5.1728 numMergedOcc 0
5 mol 68 unq 0 iso 0 dist 7.3797 8.99948 8.91427 5.42651 6.74766 7.53895 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 8.7389 11.5471 9.75201 5.29835 8.95905 7.2505 numMergedOcc 0
7 mol 98 unq 0 iso 0 dist 7.43804 12.4403 8.43352 13.8217 7.36769 8.02554 numMergedOcc 0
8 mol 98 unq 1 iso 0 dist 7.43804 12.4403 8.43352 12.9299 6.88901 11.2092 numMergedOcc 0
9 mol 112 unq 0 iso 0 dist 6.73172 12.468 9.77017 12.4858 7.80873 7.22444 numMergedOcc 0
10 mol 116 unq 0 iso 0 dist 7.85045 5.83414 8.79367 7.3393 8.38606 12.2604 numMergedOcc 0
11 mol 133 unq 0 iso 0 dist 9.32254 5.90381 7.82544 10.4629 6.84835 5.61022 numMergedOcc 0
12 mol 133 unq 1 iso 0 dist 9.32254 5.90381 7.82544 13.7961 8.42748 12.8357 numMergedOcc 0
13 mol 133 unq 2 iso 0 dist 9.32254 8.60202 6.18808 10.4629 6.84835 5.71483 numMergedOcc 0
14 mol 133 unq 3 iso 0 dist 9.32254 8.60202 6.18808 13.7961 8.42748 5.83691 numMergedOcc 0
15 mol 141 unq 0 iso 0 dist 5.80081 6.27844 9.78667 11.3904 9.83945 8.69924 numMergedOcc 0
16 mol 141 unq 1 iso 0 dist 5.80081 6.2491 8.47026 11.3904 9.83945 9.33878 numMergedOcc 0
17 mol 141 unq 2 iso 0 dist 9.45931 12.0446 6.73983 7.98447 6.75376 8.69924 numMergedOcc 0
18 mol 141 unq 3 iso 0 dist 9.45931 15.1652 8.6387 7.98447 6.75376 9.33878 numMergedOcc 0
19 mol 141 unq 4 iso 0 dist 6.49728 6.27844 6.73983 11.3904 6.75376 8.69924 numMergedOcc 0
20 mol 141 unq 5 iso 0 dist 6.49728 6.2491 8.6387 11.3904 6.75376 9.33878 numMergedOcc 0
21 mol 141 unq 6 iso 0 dist 6.35397 12.0446 7.64956 7.98447 9.10042 8.69924 numMergedOcc 0
22 mol 141 unq 7 iso 0 dist 6.35397 12.0446 7.64956 8.12085 9.75059 9.41497 numMergedOcc 0
23 mol 141 unq 8 iso 0 dist 6.35397 12.0446 7.64956 10.1812 6.83404 9.53115 numMergedOcc 0
24 mol 156 unq 0 iso 0 dist 6.97467 7.94812 7.46845 14.0762 8.21184 12.4049 numMergedOcc 0
25 mol 156 unq 1 iso 0 dist 6.97467 7.94812 7.46845 12.9439 5.9976 11.7015 numMergedOcc 0
26 mol 181 unq 0 iso 0 dist 5.6688 6.09526 7.11785 4.75774 7.22883 8.30281 numMergedOcc 0
27 mol 196 unq 0 iso 0 dist 5.21339 8.34009 9.76411 10.6902 9.62455 6.02503 numMergedOcc 0
28 mol 196 unq 1 iso 0 dist 6.34867 11.9044 9.76411 13.7873 9.62455 6.02503 numMergedOcc 0
29 mol 226 unq 0 iso 0 dist 9.20651 11.576 6.26945 5.87654 5.70795 6.85639 numMergedOcc 0
30 mol 250 unq 0 iso 0 dist 9.5174 9.67078 5.93798 12.9088 9.70149 12.4255 numMergedOcc 0
31 mol 256 unq 0 iso 0 dist 5.17332 7.73529 9.66027 5.05199 4.98734 7.29258 numMergedOcc 0
32 mol 256 unq 1 iso 0 dist 5.17332 7.73529 9.66027 5.9572 6.37963 11.299 numMergedOcc 0
33 mol 256 unq 2 iso 0 dist 5.17332 7.73529 9.66027 10.1811 8.16803 6.85417 numMergedOcc 0
34 mol 256 unq 3 iso 0 dist 8.95444 7.41011 8.89892 9.21273 6.33496 4.55079 numMergedOcc 0
35 mol 256 unq 4 iso 0 dist 8.95444 7.41011 8.89892 7.94816 6.00636 7.29918 numMergedOcc 0
36 mol 256 unq 5 iso 0 dist 8.95444 7.41011 8.89892 9.60388 7.81448 8.66399 numMergedOcc 0
37 mol 256 unq 6 iso 0 dist 8.95444 7.41011 8.89892 10.878 8.54499 6.4708 numMergedOcc 0
38 mol 256 unq 7 iso 0 dist 7.53508 11.8833 8.89892 11.5159 6.33496 4.55079 numMergedOcc 0
39 mol 256 unq 8 iso 0 dist 7.53508 11.8833 8.89892 12.9357 6.00636 7.29918 numMergedOcc 0
40 mol 256 unq 9 iso 0 dist 7.53508 11.8833 8.89892 4.03381 7.81448 8.66399 numMergedOcc 0
41 mol 256 unq 10 iso 0 dist 7.53508 11.8833 8.89892 7.45598 8.54499 6.4708 numMergedOcc 0
