0 mol 24 unq 0 iso 0 dist 5.11382 11.1055 8.25818 13.5328 13.5399 8.23075 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 9.48328 8.11968 8.65524 10.3214 3.63758 7.15542 numMergedOcc 0
2 mol 48 unq 1 iso 0 dist 9.48328 12.3188 8.96151 10.3214 3.63758 8.89047 numMergedOcc 0
3 mol 48 unq 2 iso 0 dist 9.48328 9.72788 9.02535 10.3214 3.63758 8.89003 numMergedOcc 0
4 mol 78 unq 0 iso 0 dist 8.39335 13.0405 8.61143 16.3249 9.6123 8.97888 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 8.15861 3.81285 6.67137 11.0683 6.35602 7.69926 numMergedOcc 0
6 mol 85 unq 1 iso 0 dist 8.15861 6.17121 7.04244 11.0683 6.35602 5.85237 numMergedOcc 0
7 mol 85 unq 2 iso 0 dist 8.15861 6.17121 7.04244 12.9446 10.5854 9.11768 numMergedOcc 0
8 mol 85 unq 3 iso 0 dist 9.27814 11.9486 4.18248 12.9998 8.37717 8.04242 numMergedOcc 0
9 mol 109 unq 0 iso 0 dist 9.46616 13.1376 9.29327 11.1864 4.56372 8.11702 numMergedOcc 0
10 mol 111 unq 0 iso 0 dist 6.33923 3.83194 4.91212 7.42431 6.34994 9.06601 numMergedOcc 0
11 mol 111 unq 1 iso 0 dist 6.33923 5.56913 9.34782 7.42431 6.34994 5.98809 numMergedOcc 0
12 mol 111 unq 2 iso 0 dist 9.9801 3.83194 9.74162 7.42431 8.26306 9.06601 numMergedOcc 0
13 mol 113 unq 0 iso 0 dist 9.44 7.68828 4.49669 9.57352 6.54263 8.99912 numMergedOcc 0
14 mol 113 unq 1 iso 0 dist 8.47634 7.68828 5.88896 9.57352 3.92558 8.99912 numMergedOcc 0
15 mol 116 unq 0 iso 0 dist 6.98134 4.26914 6.55227 7.55822 5.49724 8.51123 numMergedOcc 0
16 mol 116 unq 1 iso 0 dist 8.55413 9.53399 6.55227 10.5035 5.49724 8.51123 numMergedOcc 0
17 mol 120 unq 0 iso 0 dist 5.56598 8.24077 7.84207 8.20009 5.61274 6.42623 numMergedOcc 0
18 mol 120 unq 1 iso 0 dist 5.56598 3.79384 8.56947 8.20009 5.61274 8.95899 numMergedOcc 0
19 mol 120 unq 2 iso 0 dist 5.39792 5.56137 7.84207 8.14799 5.61274 6.42623 numMergedOcc 0
20 mol 120 unq 3 iso 0 dist 5.39792 6.80121 8.56947 8.14799 5.61274 8.95899 numMergedOcc 0
21 mol 120 unq 4 iso 0 dist 8.44206 5.56137 6.98791 8.14799 3.35803 6.42623 numMergedOcc 0
22 mol 120 unq 5 iso 0 dist 7.00542 7.75617 7.84207 10.7317 5.61274 6.42623 numMergedOcc 0
23 mol 120 unq 6 iso 0 dist 7.00542 10.6431 8.56947 10.7317 5.61274 8.95899 numMergedOcc 0
24 mol 120 unq 7 iso 0 dist 9.78884 7.75617 6.98791 10.7317 3.35803 6.42623 numMergedOcc 0
25 mol 123 unq 0 iso 0 dist 9.72421 11.8396 8.03692 14.3936 12.5368 8.111 numMergedOcc 0
26 mol 123 unq 1 iso 0 dist 8.09682 3.61945 5.56127 9.99727 12.2105 8.111 numMergedOcc 0
27 mol 123 unq 2 iso 0 dist 8.35926 3.61945 8.03692 9.99727 12.5368 8.111 numMergedOcc 0
28 mol 123 unq 3 iso 0 dist 7.41568 3.61945 5.36214 9.99727 6.21159 8.111 numMergedOcc 0
29 mol 141 unq 0 iso 0 dist 7.53591 4.40012 5.60448 12.047 6.80544 9.3273 numMergedOcc 0
30 mol 141 unq 1 iso 0 dist 8.34503 3.48408 5.60448 12.2525 6.80544 9.3273 numMergedOcc 0
31 mol 147 unq 0 iso 0 dist 5.39386 3.75216 3.82583 7.4653 7.06219 8.39897 numMergedOcc 0
32 mol 147 unq 1 iso 0 dist 5.39386 3.75216 3.82583 7.95564 6.04074 9.03078 numMergedOcc 0
33 mol 147 unq 2 iso 0 dist 5.79819 3.75216 5.19116 7.4653 4.19634 8.39897 numMergedOcc 0
34 mol 147 unq 3 iso 0 dist 5.79819 3.75216 5.19116 7.95564 6.24579 9.03078 numMergedOcc 0
35 mol 213 unq 0 iso 0 dist 5.90026 5.16198 7.93317 8.48081 3.62097 9.09354 numMergedOcc 0
36 mol 213 unq 1 iso 0 dist 8.86496 10.4575 7.93317 10.1705 3.62097 9.09354 numMergedOcc 0
37 mol 266 unq 0 iso 0 dist 5.28746 13.005 9.9965 20.699 18.7228 9.29666 numMergedOcc 0
38 mol 281 unq 0 iso 0 dist 7.43535 3.86368 7.90368 7.04661 12.8596 5.50053 numMergedOcc 0
39 mol 287 unq 0 iso 0 dist 8.4625 11.4589 4.68668 11.1697 3.65199 5.30118 numMergedOcc 0
40 mol 287 unq 1 iso 0 dist 8.4625 11.4589 4.68668 12.4332 5.70614 8.98698 numMergedOcc 0
41 mol 288 unq 0 iso 0 dist 8.4625 11.4589 4.68668 11.1697 3.65199 5.30118 numMergedOcc 0
42 mol 288 unq 1 iso 0 dist 8.4625 11.4589 4.68668 12.4332 5.70614 8.98698 numMergedOcc 0
43 mol 289 unq 0 iso 0 dist 8.4625 11.4589 4.68668 11.1697 3.65199 5.30118 numMergedOcc 0
44 mol 289 unq 1 iso 0 dist 8.4625 11.4589 4.68668 12.4332 5.70614 8.98698 numMergedOcc 0
