0 mol 10 unq 0 iso 0 dist 9.09758 6.55806 5.59965 3.97711 9.43029 4.99208 numMergedOcc 0
1 mol 12 unq 0 iso 0 dist 9.1301 4.38034 5.76024 5.5496 9.90835 5.21529 numMergedOcc 0
2 mol 12 unq 1 iso 0 dist 9.1301 6.06519 7.92714 5.5496 9.90835 9.7731 numMergedOcc 0
3 mol 12 unq 2 iso 0 dist 9.1301 9.69467 8.47217 5.5496 9.90835 5.41989 numMergedOcc 0
4 mol 20 unq 0 iso 0 dist 6.87419 4.539 4.74809 10.452 7.14069 10.5097 numMergedOcc 0
5 mol 20 unq 1 iso 0 dist 6.87419 4.539 4.74809 13.3417 8.58641 12.7656 numMergedOcc 0
6 mol 20 unq 2 iso 0 dist 6.87419 4.539 4.74809 12.4239 5.99466 10.2902 numMergedOcc 0
7 mol 20 unq 3 iso 0 dist 6.87419 13.6444 7.43882 10.452 7.14069 10.3149 numMergedOcc 0
8 mol 20 unq 4 iso 0 dist 6.87419 13.6444 7.43882 13.3417 8.58641 9.84883 numMergedOcc 0
9 mol 20 unq 5 iso 0 dist 6.87419 13.6444 7.43882 12.4239 5.99466 5.22924 numMergedOcc 0
10 mol 20 unq 6 iso 0 dist 6.87419 9.41046 7.31198 10.452 7.14069 11.2406 numMergedOcc 0
11 mol 20 unq 7 iso 0 dist 6.87419 9.41046 7.31198 13.3417 8.58641 13.0235 numMergedOcc 0
12 mol 20 unq 8 iso 0 dist 6.87419 9.41046 7.31198 12.4239 5.99466 9.92781 numMergedOcc 0
13 mol 24 unq 0 iso 0 dist 8.12171 7.1011 8.00171 4.09817 9.85784 5.70626 numMergedOcc 0
14 mol 24 unq 1 iso 0 dist 8.12171 7.1011 8.00171 7.1305 9.87996 5.62738 numMergedOcc 0
15 mol 24 unq 2 iso 0 dist 8.12171 11.6096 5.95834 4.09817 9.85784 11.6859 numMergedOcc 0
16 mol 24 unq 3 iso 0 dist 8.12171 11.6096 5.95834 7.1305 9.87996 9.80106 numMergedOcc 0
17 mol 24 unq 4 iso 0 dist 8.12171 10.8208 4.2121 4.09817 9.85784 11.076 numMergedOcc 0
18 mol 24 unq 5 iso 0 dist 8.12171 10.8208 4.2121 7.1305 9.87996 9.68535 numMergedOcc 0
19 mol 24 unq 6 iso 0 dist 8.12171 13.3998 6.72323 4.09817 9.85784 14.6305 numMergedOcc 0
20 mol 24 unq 7 iso 0 dist 8.12171 13.3998 6.72323 7.1305 9.87996 14.3224 numMergedOcc 0
21 mol 26 unq 0 iso 0 dist 8.01238 13.0316 6.56527 5.43726 6.7142 10.0347 numMergedOcc 0
22 mol 30 unq 0 iso 0 dist 5.22453 9.855 7.14464 6.56408 5.22979 9.01474 numMergedOcc 0
23 mol 30 unq 1 iso 0 dist 7.27643 12.4017 7.14464 5.38977 5.22979 9.01474 numMergedOcc 0
24 mol 30 unq 2 iso 0 dist 5.73475 7.06531 7.14464 4.07658 5.22979 9.01474 numMergedOcc 0
25 mol 30 unq 3 iso 0 dist 7.90081 8.03355 7.14464 4.87092 5.22979 9.01474 numMergedOcc 0
26 mol 48 unq 0 iso 0 dist 8.58319 16.5457 8.29857 9.70093 6.03404 9.02536 numMergedOcc 0
27 mol 48 unq 1 iso 0 dist 8.31952 16.2911 8.19993 9.69031 6.07052 9.12073 numMergedOcc 0
28 mol 55 unq 0 iso 0 dist 9.3341 14.1948 9.93096 9.27285 8.70598 10.7467 numMergedOcc 0
29 mol 76 unq 0 iso 0 dist 9.2958 14.0749 8.95905 10.4541 7.46095 6.6642 numMergedOcc 0
30 mol 79 unq 0 iso 0 dist 6.9297 12.6241 9.78384 3.89377 7.43127 9.51372 numMergedOcc 0
31 mol 91 unq 0 iso 0 dist 7.42828 9.18905 8.66165 8.88262 8.77355 10.6223 numMergedOcc 0
32 mol 91 unq 1 iso 0 dist 5.98441 8.00102 8.66165 11.1951 8.77355 10.6223 numMergedOcc 0
33 mol 91 unq 2 iso 0 dist 5.45873 11.1564 8.66165 10.5022 8.77355 10.6223 numMergedOcc 0
34 mol 92 unq 0 iso 0 dist 9.45854 13.0366 9.91054 5.75544 8.93769 11.9597 numMergedOcc 0
35 mol 93 unq 0 iso 0 dist 8.29506 4.41856 8.74378 8.09258 9.19977 11.7638 numMergedOcc 0
36 mol 93 unq 1 iso 0 dist 7.24843 4.39585 8.74378 13.069 9.19977 11.7638 numMergedOcc 0
37 mol 93 unq 2 iso 0 dist 6.58492 4.41856 8.89417 8.09258 7.28831 11.7638 numMergedOcc 0
38 mol 93 unq 3 iso 0 dist 6.58492 5.93923 9.95255 8.09258 7.28831 5.93472 numMergedOcc 0
39 mol 93 unq 4 iso 0 dist 7.63783 4.39585 8.89417 13.069 7.28831 11.7638 numMergedOcc 0
40 mol 93 unq 5 iso 0 dist 7.63783 12.2294 9.95255 13.069 7.28831 5.93472 numMergedOcc 0
41 mol 113 unq 0 iso 0 dist 9.17878 3.87164 6.6317 13.5478 9.30645 9.74974 numMergedOcc 0
42 mol 141 unq 0 iso 0 dist 6.41084 11.939 9.83945 10.6312 7.42144 16.2294 numMergedOcc 0
43 mol 141 unq 1 iso 0 dist 6.41084 11.939 9.83945 9.58584 6.27658 15.9806 numMergedOcc 0
44 mol 141 unq 2 iso 0 dist 6.93424 12.0582 6.75376 16.16 9.27009 6.93828 numMergedOcc 0
45 mol 141 unq 3 iso 0 dist 6.8891 12.0582 9.10042 7.18009 6.65731 14.0725 numMergedOcc 0
46 mol 141 unq 4 iso 0 dist 6.8891 13.5187 9.75059 7.18009 6.65731 13.1981 numMergedOcc 0
47 mol 141 unq 5 iso 0 dist 6.8891 10.0354 6.83404 7.18009 6.65731 3.98068 numMergedOcc 0
48 mol 181 unq 0 iso 0 dist 8.83185 13.1684 9.92471 10.1329 8.06308 5.42414 numMergedOcc 0
49 mol 181 unq 1 iso 0 dist 9.0234 12.116 9.92471 9.78848 8.06308 5.42414 numMergedOcc 0
50 mol 184 unq 0 iso 0 dist 9.13228 13.8418 7.54099 10.5797 7.58375 4.67256 numMergedOcc 0
51 mol 192 unq 0 iso 0 dist 7.57117 6.61047 8.26288 5.53973 9.40971 11.3394 numMergedOcc 0
52 mol 192 unq 1 iso 0 dist 7.57117 4.13141 6.60053 5.53973 9.40971 5.80651 numMergedOcc 0
53 mol 192 unq 2 iso 0 dist 9.9312 4.13141 9.36796 5.53973 9.8428 5.80651 numMergedOcc 0
54 mol 194 unq 0 iso 0 dist 7.71806 12.1101 6.1886 8.22995 4.19371 4.002 numMergedOcc 0
55 mol 194 unq 1 iso 0 dist 7.71806 12.1101 6.1886 12.3429 9.71015 7.09553 numMergedOcc 0
56 mol 244 unq 0 iso 0 dist 9.28249 15.877 7.95359 14.4096 6.53416 3.92686 numMergedOcc 0
57 mol 244 unq 1 iso 0 dist 9.28249 6.12937 6.22122 14.4096 6.53416 10.3324 numMergedOcc 0
58 mol 256 unq 0 iso 0 dist 5.2801 7.49849 6.33496 7.84178 6.85663 8.60707 numMergedOcc 0
59 mol 256 unq 1 iso 0 dist 5.2801 9.92311 6.00636 7.84178 6.85663 9.39697 numMergedOcc 0
60 mol 256 unq 2 iso 0 dist 5.2801 5.91322 7.81448 7.84178 6.85663 4.05082 numMergedOcc 0
61 mol 256 unq 3 iso 0 dist 5.2801 5.49322 8.54499 7.84178 6.85663 6.63324 numMergedOcc 0
62 mol 260 unq 0 iso 0 dist 8.75324 6.49889 9.32954 3.92288 6.75725 9.07649 numMergedOcc 0
63 mol 260 unq 1 iso 0 dist 8.75324 6.49889 9.32954 14.1341 9.31888 9.46408 numMergedOcc 0
64 mol 277 unq 0 iso 0 dist 9.7625 4.44586 8.20644 15.23 9.26157 16.0346 numMergedOcc 0
