0 mol 5 unq 0 iso 0 dist 6.66949 11.1238 7.77059 4.05341 5.69239 11.7909 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 5.11382 6.74888 5.65754 11.1055 8.25818 10.0962 numMergedOcc 0
2 mol 28 unq 0 iso 0 dist 9.56722 4.2863 7.7871 10.8301 8.53424 11.1346 numMergedOcc 0
3 mol 28 unq 1 iso 0 dist 9.56722 4.2863 7.7871 10.0008 7.08766 10.8275 numMergedOcc 0
4 mol 28 unq 2 iso 0 dist 9.56722 4.2863 7.7871 7.55139 4.82199 7.90018 numMergedOcc 0
5 mol 48 unq 0 iso 0 dist 9.48328 4.99432 5.43913 8.11968 8.65524 5.39197 numMergedOcc 0
6 mol 48 unq 1 iso 0 dist 9.48328 4.99432 5.43913 12.3188 8.96151 9.53255 numMergedOcc 0
7 mol 48 unq 2 iso 0 dist 9.48328 4.99432 5.43913 9.72788 9.02535 7.75132 numMergedOcc 0
8 mol 76 unq 0 iso 0 dist 8.63792 8.29882 5.91098 8.58059 7.66068 11.6853 numMergedOcc 0
9 mol 76 unq 1 iso 0 dist 8.63792 8.29882 5.91098 14.7497 9.5043 15.0489 numMergedOcc 0
10 mol 76 unq 2 iso 0 dist 8.63792 8.29882 5.91098 14.3572 8.34132 14.2393 numMergedOcc 0
11 mol 76 unq 3 iso 0 dist 8.63792 9.77859 4.86523 8.58059 7.66068 4.94673 numMergedOcc 0
12 mol 76 unq 4 iso 0 dist 8.63792 9.77859 4.86523 14.7497 9.5043 5.78236 numMergedOcc 0
13 mol 76 unq 5 iso 0 dist 8.63792 9.77859 4.86523 14.3572 8.34132 4.73151 numMergedOcc 0
14 mol 78 unq 0 iso 0 dist 8.39335 6.59097 6.11101 11.779 9.07629 5.72585 numMergedOcc 0
15 mol 78 unq 1 iso 0 dist 8.39335 6.59097 6.11101 13.0405 8.61143 7.38398 numMergedOcc 0
16 mol 85 unq 0 iso 0 dist 6.56288 4.75717 7.51319 7.14242 6.67137 6.90443 numMergedOcc 0
17 mol 85 unq 1 iso 0 dist 6.56288 4.75717 7.51319 15.2173 9.78707 17.0873 numMergedOcc 0
18 mol 85 unq 2 iso 0 dist 6.56288 15.811 9.43839 7.14242 6.67137 14.6513 numMergedOcc 0
19 mol 85 unq 3 iso 0 dist 6.56288 15.811 9.43839 15.2173 9.78707 4.43737 numMergedOcc 0
20 mol 85 unq 4 iso 0 dist 5.97559 12.9091 8.66427 9.52671 7.07839 5.26904 numMergedOcc 0
21 mol 85 unq 5 iso 0 dist 5.97559 12.9091 8.66427 8.62855 7.91193 6.77316 numMergedOcc 0
22 mol 85 unq 6 iso 0 dist 5.97559 12.9091 8.66427 5.86553 9.09711 11.9441 numMergedOcc 0
23 mol 85 unq 7 iso 0 dist 5.97559 12.9091 8.66427 7.14242 7.04244 13.8217 numMergedOcc 0
24 mol 85 unq 8 iso 0 dist 5.97559 12.9091 8.66427 15.2173 9.63449 9.54731 numMergedOcc 0
25 mol 85 unq 9 iso 0 dist 5.97559 4.75717 8.49887 9.52671 7.07839 13.5026 numMergedOcc 0
26 mol 85 unq 10 iso 0 dist 5.97559 4.75717 8.49887 5.86553 9.09711 10.1386 numMergedOcc 0
27 mol 85 unq 11 iso 0 dist 5.97559 4.75717 8.49887 8.62855 7.91193 13.1772 numMergedOcc 0
28 mol 85 unq 12 iso 0 dist 5.97559 4.75717 8.49887 7.14242 7.04244 6.90443 numMergedOcc 0
29 mol 85 unq 13 iso 0 dist 5.97559 4.75717 8.49887 15.2173 9.63449 17.0873 numMergedOcc 0
30 mol 90 unq 0 iso 0 dist 6.77993 7.89197 8.63446 3.79142 5.24346 4.77556 numMergedOcc 0
31 mol 93 unq 0 iso 0 dist 8.92653 6.11046 5.23929 8.70619 5.20429 4.90515 numMergedOcc 0
32 mol 93 unq 1 iso 0 dist 8.92653 6.11046 5.23929 3.89959 8.71366 5.08254 numMergedOcc 0
33 mol 111 unq 0 iso 0 dist 6.33923 10.001 8.11813 3.83194 4.91212 6.42834 numMergedOcc 0
34 mol 111 unq 1 iso 0 dist 6.33923 10.001 8.11813 5.56913 9.34782 15.1151 numMergedOcc 0
35 mol 194 unq 0 iso 0 dist 4.55528 12.1121 7.56217 4.02402 5.10542 11.7008 numMergedOcc 0
36 mol 194 unq 1 iso 0 dist 4.42095 12.1121 9.81055 3.83542 5.18325 14.7138 numMergedOcc 0
37 mol 194 unq 2 iso 0 dist 4.42095 12.1121 9.81055 4.02402 4.68722 11.7008 numMergedOcc 0
38 mol 194 unq 3 iso 0 dist 6.88386 12.5858 7.56217 8.31549 5.10542 11.7008 numMergedOcc 0
39 mol 194 unq 4 iso 0 dist 4.63898 12.5858 9.81055 8.31549 4.68722 11.7008 numMergedOcc 0
40 mol 194 unq 5 iso 0 dist 4.63898 12.5858 9.81055 4.98625 5.18325 14.7138 numMergedOcc 0
41 mol 194 unq 6 iso 0 dist 9.53641 17.439 9.81055 7.40457 4.68722 11.7008 numMergedOcc 0
42 mol 194 unq 7 iso 0 dist 9.53641 17.439 9.81055 8.48051 5.18325 14.7138 numMergedOcc 0
43 mol 204 unq 0 iso 0 dist 9.98617 14.5106 9.26192 6.82158 9.93489 13.8736 numMergedOcc 0
44 mol 204 unq 1 iso 0 dist 9.98617 14.5106 9.26192 11.8793 7.64057 6.40044 numMergedOcc 0
45 mol 233 unq 0 iso 0 dist 6.45095 5.20211 6.33954 6.41178 7.83831 8.8061 numMergedOcc 0
46 mol 266 unq 0 iso 0 dist 5.28746 5.36882 6.48382 9.23405 6.96692 5.79323 numMergedOcc 0
47 mol 266 unq 1 iso 0 dist 5.28746 5.36882 6.48382 11.313 8.25286 7.52317 numMergedOcc 0
48 mol 266 unq 2 iso 0 dist 5.28746 5.36882 6.48382 13.005 9.9965 9.52953 numMergedOcc 0
49 mol 266 unq 3 iso 0 dist 7.43884 6.58663 4.95415 11.4637 7.80711 12.2408 numMergedOcc 0
50 mol 266 unq 4 iso 0 dist 7.43884 6.58663 4.95415 12.3524 9.9965 13.1028 numMergedOcc 0
51 mol 266 unq 5 iso 0 dist 7.43884 7.56583 6.38519 11.4637 7.80711 5.34431 numMergedOcc 0
52 mol 266 unq 6 iso 0 dist 7.43884 7.56583 6.38519 12.3524 9.9965 8.39575 numMergedOcc 0
53 mol 284 unq 0 iso 0 dist 5.2862 12.6047 8.2236 5.88619 5.6964 8.4652 numMergedOcc 0
54 mol 284 unq 1 iso 0 dist 5.31097 10.936 8.2236 4.57529 5.6964 8.4652 numMergedOcc 0
55 mol 287 unq 0 iso 0 dist 8.4625 12.5437 8.17436 11.4589 4.68668 9.08224 numMergedOcc 0
56 mol 288 unq 0 iso 0 dist 8.4625 12.5437 8.17436 11.4589 4.68668 9.08224 numMergedOcc 0
57 mol 289 unq 0 iso 0 dist 8.4625 12.5437 8.17436 11.4589 4.68668 9.08224 numMergedOcc 0
