0 mol 7 unq 0 iso 0 dist 8.41585 6.81066 10.6 9.68596 14.7759 14.3521 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 7.20519 6.50337 7.16903 7.75618 4.96411 5.46754 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 8.4674 6.10339 9.71584 8.40416 9.74255 8.6996 numMergedOcc 0
3 mol 19 unq 2 iso 0 dist 4.54938 6.50337 10.2774 7.75618 9.74255 5.46754 numMergedOcc 0
4 mol 19 unq 3 iso 0 dist 4.51865 6.10339 4.13497 8.40416 7.08342 8.6996 numMergedOcc 0
5 mol 19 unq 4 iso 0 dist 6.864 6.50337 10.3465 7.75618 7.08342 5.46754 numMergedOcc 0
6 mol 24 unq 0 iso 0 dist 8.86116 6.07553 5.86882 8.60554 8.52463 11.3314 numMergedOcc 0
7 mol 24 unq 1 iso 0 dist 8.86116 6.07553 5.86882 8.44664 10.971 7.262 numMergedOcc 0
8 mol 24 unq 2 iso 0 dist 8.86116 6.07553 5.86882 9.44691 13.4893 13.1723 numMergedOcc 0
9 mol 24 unq 3 iso 0 dist 8.86116 6.48457 9.9259 8.60554 8.52463 3.4435 numMergedOcc 0
10 mol 24 unq 4 iso 0 dist 8.86116 6.48457 9.9259 8.44664 10.971 12.7748 numMergedOcc 0
11 mol 24 unq 5 iso 0 dist 8.86116 6.48457 9.9259 9.44691 13.4893 7.63657 numMergedOcc 0
12 mol 24 unq 6 iso 0 dist 8.38394 6.07553 3.96228 8.60554 12.3994 11.3314 numMergedOcc 0
13 mol 24 unq 7 iso 0 dist 8.38394 6.07553 3.96228 8.44664 5.30734 7.262 numMergedOcc 0
14 mol 24 unq 8 iso 0 dist 8.38394 6.07553 3.96228 9.44691 12.505 13.1723 numMergedOcc 0
15 mol 24 unq 9 iso 0 dist 8.38394 6.48457 12.2071 8.60554 12.3994 3.4435 numMergedOcc 0
16 mol 24 unq 10 iso 0 dist 8.38394 6.48457 12.2071 8.44664 5.30734 12.7748 numMergedOcc 0
17 mol 24 unq 11 iso 0 dist 8.38394 6.48457 12.2071 9.44691 12.505 7.63657 numMergedOcc 0
18 mol 24 unq 12 iso 0 dist 5.54419 8.80127 7.6222 8.4051 5.11617 3.4435 numMergedOcc 0
19 mol 24 unq 13 iso 0 dist 5.54419 8.80127 7.6222 8.23446 13.1779 12.6622 numMergedOcc 0
20 mol 24 unq 14 iso 0 dist 5.54419 8.80127 7.6222 8.75662 10.8238 7.63657 numMergedOcc 0
21 mol 24 unq 15 iso 0 dist 7.36323 8.80127 11.7026 8.4051 13.2229 3.4435 numMergedOcc 0
22 mol 24 unq 16 iso 0 dist 7.36323 8.80127 11.7026 8.23446 6.38336 12.6622 numMergedOcc 0
23 mol 24 unq 17 iso 0 dist 7.36323 8.80127 11.7026 8.75662 6.7828 7.63657 numMergedOcc 0
24 mol 54 unq 0 iso 0 dist 9.5589 8.58658 14.436 7.21717 15.293 3.8037 numMergedOcc 0
25 mol 54 unq 1 iso 0 dist 6.83299 8.58658 14.3129 7.21717 13.86 3.8037 numMergedOcc 0
26 mol 54 unq 2 iso 0 dist 8.10861 8.58658 7.98156 7.21717 5.99981 3.8037 numMergedOcc 0
27 mol 72 unq 0 iso 0 dist 8.8178 4.69674 5.83438 9.27838 15.434 11.7291 numMergedOcc 0
28 mol 72 unq 1 iso 0 dist 9.96708 4.69674 11.8198 9.27838 11.6378 11.7291 numMergedOcc 0
29 mol 85 unq 0 iso 0 dist 7.97049 8.77199 5.46695 9.82915 9.29301 4.58085 numMergedOcc 0
30 mol 85 unq 1 iso 0 dist 7.47541 8.77199 11.3211 9.82915 13.5116 4.58085 numMergedOcc 0
31 mol 85 unq 2 iso 0 dist 7.95579 8.81824 6.62562 7.54568 10.2865 13.2941 numMergedOcc 0
32 mol 85 unq 3 iso 0 dist 6.19965 8.81824 5.46695 7.54568 8.09967 13.2941 numMergedOcc 0
33 mol 85 unq 4 iso 0 dist 7.66905 8.81824 11.3211 7.54568 4.65335 13.2941 numMergedOcc 0
34 mol 100 unq 0 iso 0 dist 8.87449 7.69401 9.15224 7.80975 7.97897 8.86956 numMergedOcc 0
35 mol 100 unq 1 iso 0 dist 8.87449 6.92671 6.92828 7.80975 7.97897 11.7384 numMergedOcc 0
36 mol 100 unq 2 iso 0 dist 7.17106 7.98814 8.07597 7.10378 10.6848 5.53567 numMergedOcc 0
37 mol 113 unq 0 iso 0 dist 5.86073 5.94552 4.38244 8.8822 10.1816 13.1665 numMergedOcc 0
38 mol 113 unq 1 iso 0 dist 5.86073 5.94552 4.38244 9.66219 8.42718 12.3067 numMergedOcc 0
39 mol 119 unq 0 iso 0 dist 6.18601 6.16081 7.36889 6.73586 5.13589 6.65893 numMergedOcc 0
40 mol 133 unq 0 iso 0 dist 6.80239 8.75049 5.58281 5.87634 4.54648 5.21958 numMergedOcc 0
41 mol 155 unq 0 iso 0 dist 6.43582 6.89245 4.47054 7.92304 5.50031 5.95578 numMergedOcc 0
42 mol 167 unq 0 iso 0 dist 9.87651 5.72735 6.38496 9.67741 13.0123 9.40319 numMergedOcc 0
43 mol 175 unq 0 iso 0 dist 9.29945 6.62757 13.4456 9.39352 7.27408 11.3992 numMergedOcc 0
44 mol 175 unq 1 iso 0 dist 9.29945 9.36354 14.5359 9.39352 7.27408 9.28375 numMergedOcc 0
45 mol 182 unq 0 iso 0 dist 9.31746 9.07173 9.87473 6.73956 7.68794 9.39191 numMergedOcc 0
46 mol 182 unq 1 iso 0 dist 9.31746 9.07173 9.87473 7.09394 9.37404 3.6277 numMergedOcc 0
47 mol 186 unq 0 iso 0 dist 9.70748 9.28036 6.61139 7.66165 5.4141 7.69228 numMergedOcc 0
48 mol 205 unq 0 iso 0 dist 6.03031 7.23959 9.73907 6.03688 8.15057 9.6084 numMergedOcc 0
49 mol 205 unq 1 iso 0 dist 7.26832 7.23959 12.3578 6.03688 12.4957 9.6084 numMergedOcc 0
50 mol 205 unq 2 iso 0 dist 7.80463 7.23959 6.06996 6.03688 6.09749 9.6084 numMergedOcc 0
51 mol 206 unq 0 iso 0 dist 8.02137 6.11803 7.25848 7.75885 12.7604 7.87274 numMergedOcc 0
52 mol 206 unq 1 iso 0 dist 7.7366 9.73419 8.77621 6.16414 6.45859 7.87274 numMergedOcc 0
53 mol 206 unq 2 iso 0 dist 7.7366 9.73419 8.77621 7.33701 4.40897 12.04 numMergedOcc 0
54 mol 206 unq 3 iso 0 dist 7.7366 9.73419 8.77621 8.0871 7.62219 15.182 numMergedOcc 0
55 mol 206 unq 4 iso 0 dist 7.7366 9.99824 10.2691 6.16414 6.45859 6.55611 numMergedOcc 0
56 mol 206 unq 5 iso 0 dist 7.7366 9.99824 10.2691 7.33701 4.40897 7.22859 numMergedOcc 0
57 mol 206 unq 6 iso 0 dist 7.7366 9.99824 10.2691 8.0871 7.62219 9.80396 numMergedOcc 0
58 mol 206 unq 7 iso 0 dist 9.774 6.11803 8.77621 7.75885 6.45859 7.87274 numMergedOcc 0
59 mol 222 unq 0 iso 0 dist 8.01589 8.36659 6.24593 7.67576 10.3151 5.5933 numMergedOcc 0
60 mol 222 unq 1 iso 0 dist 8.01589 8.36659 6.24593 9.82371 8.52017 10.9135 numMergedOcc 0
61 mol 222 unq 2 iso 0 dist 8.01589 9.18913 6.80274 7.67576 10.3151 13.2849 numMergedOcc 0
62 mol 222 unq 3 iso 0 dist 8.01589 9.18913 6.80274 9.82371 8.52017 14.5433 numMergedOcc 0
63 mol 222 unq 4 iso 0 dist 7.7699 8.36659 7.27562 7.67576 7.81022 5.5933 numMergedOcc 0
64 mol 222 unq 5 iso 0 dist 7.7699 8.36659 7.27562 9.82371 15.7504 10.9135 numMergedOcc 0
65 mol 222 unq 6 iso 0 dist 7.7699 9.18913 8.72187 7.67576 7.81022 13.2849 numMergedOcc 0
66 mol 222 unq 7 iso 0 dist 7.7699 9.18913 8.72187 9.82371 15.7504 14.5433 numMergedOcc 0
67 mol 222 unq 8 iso 0 dist 7.21333 8.36659 10.367 7.67576 7.75656 5.5933 numMergedOcc 0
68 mol 222 unq 9 iso 0 dist 7.21333 8.36659 10.367 9.82371 16.0949 10.9135 numMergedOcc 0
69 mol 222 unq 10 iso 0 dist 7.21333 9.18913 12.4303 7.67576 7.75656 13.2849 numMergedOcc 0
70 mol 222 unq 11 iso 0 dist 7.21333 9.18913 12.4303 9.82371 16.0949 14.5433 numMergedOcc 0
71 mol 227 unq 0 iso 0 dist 7.09863 6.40086 6.16261 6.02296 6.35849 5.78036 numMergedOcc 0
72 mol 231 unq 0 iso 0 dist 7.37839 7.31553 6.58152 6.98875 6.37275 6.90849 numMergedOcc 0
73 mol 234 unq 0 iso 0 dist 8.41436 9.18589 10.3659 6.30154 7.44558 14.0878 numMergedOcc 0
74 mol 234 unq 1 iso 0 dist 8.41436 9.18589 10.3659 7.32499 10.7902 11.7131 numMergedOcc 0
75 mol 234 unq 2 iso 0 dist 8.92474 9.18589 10.4355 6.30154 10.9712 14.0878 numMergedOcc 0
76 mol 234 unq 3 iso 0 dist 8.92474 9.18589 10.4355 7.32499 4.4288 11.7131 numMergedOcc 0
77 mol 258 unq 0 iso 0 dist 6.97229 5.8473 6.87078 7.6595 6.7919 5.58975 numMergedOcc 0
78 mol 258 unq 1 iso 0 dist 6.97229 6.78929 4.5427 7.6595 6.7919 10.4681 numMergedOcc 0
79 mol 264 unq 0 iso 0 dist 6.24356 8.48407 14.5632 5.93616 7.52936 10.7977 numMergedOcc 0
80 mol 274 unq 0 iso 0 dist 7.56915 8.98154 8.93097 9.85289 6.20558 10.4158 numMergedOcc 0
81 mol 274 unq 1 iso 0 dist 8.49997 8.98154 6.55065 9.85289 11.4459 10.4158 numMergedOcc 0
