0 mol 2 unq 0 iso 0 dist 6.52386 14.1164 9.74371 15.1719 9.53758 14.7531 numMergedOcc 0
1 mol 4 unq 0 iso 0 dist 6.34563 6.82441 8.7041 5.04676 5.31026 5.79308 numMergedOcc 0
2 mol 7 unq 0 iso 0 dist 5.77374 9.33944 8.0166 9.30196 6.0323 5.85668 numMergedOcc 0
3 mol 7 unq 1 iso 0 dist 8.57437 10.0257 9.67498 13.63 8.85869 10.2939 numMergedOcc 0
4 mol 7 unq 2 iso 0 dist 8.57437 9.33944 9.32945 13.63 8.85869 15.279 numMergedOcc 0
5 mol 7 unq 3 iso 0 dist 9.84857 7.62195 8.41173 8.57713 9.58865 12.9957 numMergedOcc 0
6 mol 44 unq 0 iso 0 dist 7.85573 11.0282 8.23606 10.1746 9.53901 6.11297 numMergedOcc 0
7 mol 44 unq 1 iso 0 dist 6.21423 6.5318 8.23606 9.23503 9.53901 6.11297 numMergedOcc 0
8 mol 61 unq 0 iso 0 dist 9.82315 9.53688 4.628 5.78708 6.85094 4.71793 numMergedOcc 0
9 mol 61 unq 1 iso 0 dist 9.67403 8.24748 8.30431 16.6923 9.94756 16.966 numMergedOcc 0
10 mol 61 unq 2 iso 0 dist 7.28917 14.4616 8.30431 4.16192 9.94756 16.966 numMergedOcc 0
11 mol 73 unq 0 iso 0 dist 5.58346 7.53682 5.39171 12.2435 7.84699 6.13631 numMergedOcc 0
12 mol 73 unq 1 iso 0 dist 5.58346 7.53682 5.39171 10.362 7.53504 12.6081 numMergedOcc 0
13 mol 73 unq 2 iso 0 dist 9.10386 7.53682 9.27355 12.2435 8.40844 6.13631 numMergedOcc 0
14 mol 73 unq 3 iso 0 dist 9.10386 7.53682 9.27355 14.2654 7.02351 16.1129 numMergedOcc 0
15 mol 73 unq 4 iso 0 dist 9.10386 7.53682 9.27355 10.362 8.66342 12.6081 numMergedOcc 0
16 mol 73 unq 5 iso 0 dist 8.31624 6.15377 6.328 10.0626 7.23435 4.20293 numMergedOcc 0
17 mol 73 unq 6 iso 0 dist 5.68726 5.41551 6.328 9.08204 7.23435 4.20293 numMergedOcc 0
18 mol 73 unq 7 iso 0 dist 7.46882 5.54987 6.328 6.44802 7.23435 4.20293 numMergedOcc 0
19 mol 73 unq 8 iso 0 dist 9.66744 14.7261 5.39171 16.9811 7.84699 6.13631 numMergedOcc 0
20 mol 73 unq 9 iso 0 dist 9.66744 14.7261 5.39171 4.5646 7.53504 12.6081 numMergedOcc 0
21 mol 76 unq 0 iso 0 dist 9.06225 8.04327 7.02854 13.42 7.71596 8.50377 numMergedOcc 0
22 mol 86 unq 0 iso 0 dist 8.43093 8.44581 8.39046 4.2645 8.63569 6.75602 numMergedOcc 0
23 mol 86 unq 1 iso 0 dist 8.43093 5.52734 8.76689 4.2645 8.63569 6.28603 numMergedOcc 0
24 mol 90 unq 0 iso 0 dist 9.28585 4.59148 6.6146 10.156 8.6308 6.3566 numMergedOcc 0
25 mol 99 unq 0 iso 0 dist 5.33644 6.02095 6.81741 5.36117 8.23566 8.61334 numMergedOcc 0
26 mol 134 unq 0 iso 0 dist 9.49104 8.22726 5.33543 12.0027 9.21999 5.57607 numMergedOcc 0
27 mol 151 unq 0 iso 0 dist 5.89907 12.2991 8.40442 4.39532 6.12385 10.5699 numMergedOcc 0
28 mol 181 unq 0 iso 0 dist 4.96259 5.53632 8.78709 6.6215 5.77393 11.6119 numMergedOcc 0
29 mol 183 unq 0 iso 0 dist 7.38821 4.0252 7.69421 8.72592 9.82833 4.92164 numMergedOcc 0
30 mol 183 unq 1 iso 0 dist 9.92635 13.34 6.21267 15.7519 9.81282 13.2623 numMergedOcc 0
31 mol 183 unq 2 iso 0 dist 9.92635 13.9426 7.41743 15.7519 9.81282 7.22697 numMergedOcc 0
32 mol 183 unq 3 iso 0 dist 7.85507 9.98606 6.21267 15.2905 9.81282 13.2623 numMergedOcc 0
33 mol 183 unq 4 iso 0 dist 7.85507 11.9935 7.41743 15.2905 9.81282 7.22697 numMergedOcc 0
34 mol 192 unq 0 iso 0 dist 7.252 13.2525 7.30965 9.99333 7.72242 6.16078 numMergedOcc 0
35 mol 205 unq 0 iso 0 dist 9.32657 6.78359 9.89311 14.0402 8.21112 13.8587 numMergedOcc 0
36 mol 205 unq 1 iso 0 dist 9.32657 6.78359 9.89311 11.0093 7.06533 9.6353 numMergedOcc 0
37 mol 205 unq 2 iso 0 dist 9.32657 6.78359 9.89311 7.30488 5.94835 11.7852 numMergedOcc 0
38 mol 205 unq 3 iso 0 dist 6.21409 6.78359 7.71155 7.30488 6.76947 11.7852 numMergedOcc 0
39 mol 211 unq 0 iso 0 dist 7.38723 12.6613 9.8921 5.45968 7.15386 15.2751 numMergedOcc 0
40 mol 211 unq 1 iso 0 dist 7.38723 12.6613 9.8921 9.04294 7.73993 17.5039 numMergedOcc 0
41 mol 211 unq 2 iso 0 dist 7.38723 12.6613 9.8921 9.3095 9.45365 16.4954 numMergedOcc 0
42 mol 212 unq 0 iso 0 dist 7.73701 7.5418 9.26387 4.95466 6.41916 4.78007 numMergedOcc 0
43 mol 218 unq 0 iso 0 dist 6.2441 7.15853 4.61671 6.7488 5.98076 6.82687 numMergedOcc 0
44 mol 218 unq 1 iso 0 dist 6.2441 5.7173 8.44004 6.7488 5.98076 10.8844 numMergedOcc 0
45 mol 219 unq 0 iso 0 dist 9.52151 7.00921 4.67452 6.28221 7.98941 7.61939 numMergedOcc 0
46 mol 219 unq 1 iso 0 dist 9.52151 10.3376 9.86916 6.28221 7.98941 5.58316 numMergedOcc 0
47 mol 226 unq 0 iso 0 dist 8.10096 6.92911 7.20862 12.8829 9.05082 15.6116 numMergedOcc 0
48 mol 239 unq 0 iso 0 dist 8.68803 6.54316 9.59937 4.53635 8.01565 8.46058 numMergedOcc 0
49 mol 259 unq 0 iso 0 dist 5.98006 7.78289 8.73077 7.8775 9.16791 5.94835 numMergedOcc 0
50 mol 259 unq 1 iso 0 dist 5.98006 5.73217 6.76656 7.8775 9.16791 9.43627 numMergedOcc 0
51 mol 259 unq 2 iso 0 dist 7.97113 6.92619 8.91916 9.69102 9.2772 15.0643 numMergedOcc 0
52 mol 259 unq 3 iso 0 dist 8.38479 11.3266 8.91916 4.76806 9.2772 15.0643 numMergedOcc 0
53 mol 266 unq 0 iso 0 dist 9.33447 7.61055 5.28417 9.20929 6.35457 5.08317 numMergedOcc 0
54 mol 266 unq 1 iso 0 dist 3.90274 5.01049 5.28417 4.55986 6.35457 5.08317 numMergedOcc 0
55 mol 274 unq 0 iso 0 dist 7.62562 10.4456 6.12202 7.60168 7.59956 5.64335 numMergedOcc 0
56 mol 274 unq 1 iso 0 dist 7.62562 10.4456 6.12202 4.77555 8.05503 13.0534 numMergedOcc 0
57 mol 274 unq 2 iso 0 dist 7.62562 10.4456 6.12202 6.30262 5.59151 9.24343 numMergedOcc 0
58 mol 279 unq 0 iso 0 dist 9.71653 6.05412 8.57035 10.6101 8.15805 13.2374 numMergedOcc 0
