0 mol 19 unq 0 iso 0 dist 7.20519 6.50337 7.16903 7.75618 4.96411 5.46754 8.7083 11.877 5.53102 8.54034 numMergedOcc 0
1 mol 19 unq 1 iso 0 dist 8.4674 6.10339 9.71584 8.40416 9.74255 8.6996 10.4416 13.0732 14.7255 8.54034 numMergedOcc 0
2 mol 19 unq 2 iso 0 dist 4.54938 6.50337 10.2774 7.75618 9.74255 5.46754 8.7083 13.0732 5.53102 8.54034 numMergedOcc 0
3 mol 19 unq 3 iso 0 dist 4.51865 6.10339 4.13497 8.40416 7.08342 8.6996 10.4416 12.2354 14.7255 8.54034 numMergedOcc 0
4 mol 19 unq 4 iso 0 dist 6.864 6.50337 10.3465 7.75618 7.08342 5.46754 8.7083 12.2354 5.53102 8.54034 numMergedOcc 0
5 mol 24 unq 0 iso 0 dist 8.86116 6.07553 5.86882 8.60554 8.52463 11.3314 14.8647 12.5088 16.8051 6.61696 numMergedOcc 0
6 mol 24 unq 1 iso 0 dist 8.86116 6.07553 5.86882 8.60554 8.52463 11.3314 5.11636 7.95042 8.21811 5.80953 numMergedOcc 0
7 mol 24 unq 2 iso 0 dist 8.86116 6.07553 5.86882 8.44664 10.971 7.262 4.79736 12.3058 7.73513 9.98592 numMergedOcc 0
8 mol 24 unq 3 iso 0 dist 8.86116 6.07553 5.86882 9.44691 13.4893 13.1723 14.4081 17.9275 19.2925 9.586 numMergedOcc 0
9 mol 24 unq 4 iso 0 dist 8.86116 6.48457 9.9259 8.60554 8.52463 3.4435 14.8647 12.5088 9.54357 6.61696 numMergedOcc 0
10 mol 24 unq 5 iso 0 dist 8.86116 6.48457 9.9259 8.60554 8.52463 3.4435 5.11636 7.95042 5.13078 5.80953 numMergedOcc 0
11 mol 24 unq 6 iso 0 dist 8.86116 6.48457 9.9259 8.44664 10.971 12.7748 4.79736 12.3058 10.7722 9.98592 numMergedOcc 0
12 mol 24 unq 7 iso 0 dist 8.86116 6.48457 9.9259 9.44691 13.4893 7.63657 14.4081 17.9275 8.70016 9.586 numMergedOcc 0
13 mol 24 unq 8 iso 0 dist 8.38394 6.07553 3.96228 8.60554 12.3994 11.3314 14.8647 17.9146 16.8051 6.61696 numMergedOcc 0
14 mol 24 unq 9 iso 0 dist 8.38394 6.07553 3.96228 8.60554 12.3994 11.3314 5.11636 10.9819 8.21811 5.80953 numMergedOcc 0
15 mol 24 unq 10 iso 0 dist 8.38394 6.07553 3.96228 8.44664 5.30734 7.262 4.79736 10.6772 7.73513 9.98592 numMergedOcc 0
16 mol 24 unq 11 iso 0 dist 8.38394 6.07553 3.96228 9.44691 12.505 13.1723 14.4081 19.8965 19.2925 9.586 numMergedOcc 0
17 mol 24 unq 12 iso 0 dist 8.38394 6.48457 12.2071 8.60554 12.3994 3.4435 14.8647 17.9146 9.54357 6.61696 numMergedOcc 0
18 mol 24 unq 13 iso 0 dist 8.38394 6.48457 12.2071 8.60554 12.3994 3.4435 5.11636 10.9819 5.13078 5.80953 numMergedOcc 0
19 mol 24 unq 14 iso 0 dist 8.38394 6.48457 12.2071 8.44664 5.30734 12.7748 4.79736 10.6772 10.7722 9.98592 numMergedOcc 0
20 mol 24 unq 15 iso 0 dist 8.38394 6.48457 12.2071 9.44691 12.505 7.63657 14.4081 19.8965 8.70016 9.586 numMergedOcc 0
21 mol 24 unq 16 iso 0 dist 5.54419 8.80127 7.6222 8.4051 5.11617 3.4435 10.1698 5.68215 9.54357 6.61696 numMergedOcc 0
22 mol 24 unq 17 iso 0 dist 5.54419 8.80127 7.6222 8.4051 5.11617 3.4435 13.6174 10.9113 5.13078 5.80953 numMergedOcc 0
23 mol 24 unq 18 iso 0 dist 5.54419 8.80127 7.6222 8.23446 13.1779 12.6622 5.73029 9.16003 14.1193 9.33304 numMergedOcc 0
24 mol 24 unq 19 iso 0 dist 5.54419 8.80127 7.6222 8.23446 13.1779 12.6622 6.28159 10.4135 11.9118 4.5711 numMergedOcc 0
25 mol 24 unq 20 iso 0 dist 5.54419 8.80127 7.6222 8.23446 13.1779 12.6622 5.50396 9.33482 8.70016 4.44526 numMergedOcc 0
26 mol 24 unq 21 iso 0 dist 5.54419 8.80127 7.6222 8.75662 10.8238 7.63657 5.50396 9.33482 8.70016 9.586 numMergedOcc 0
27 mol 24 unq 22 iso 0 dist 7.36323 8.80127 11.7026 8.4051 13.2229 3.4435 10.1698 17.003 9.54357 6.61696 numMergedOcc 0
28 mol 24 unq 23 iso 0 dist 7.36323 8.80127 11.7026 8.4051 13.2229 3.4435 13.6174 16.707 5.13078 5.80953 numMergedOcc 0
29 mol 24 unq 24 iso 0 dist 7.36323 8.80127 11.7026 8.23446 6.38336 12.6622 5.73029 10.502 14.1193 9.33304 numMergedOcc 0
30 mol 24 unq 25 iso 0 dist 7.36323 8.80127 11.7026 8.23446 6.38336 12.6622 6.28159 8.87744 11.9118 4.5711 numMergedOcc 0
31 mol 24 unq 26 iso 0 dist 7.36323 8.80127 11.7026 8.23446 6.38336 12.6622 5.50396 7.27472 8.70016 4.44526 numMergedOcc 0
32 mol 24 unq 27 iso 0 dist 7.36323 8.80127 11.7026 8.75662 6.7828 7.63657 5.50396 7.27472 8.70016 9.586 numMergedOcc 0
33 mol 72 unq 0 iso 0 dist 8.8178 4.69674 5.83438 9.27838 15.434 11.7291 5.69391 13.6019 10.2763 7.58875 numMergedOcc 0
34 mol 72 unq 1 iso 0 dist 8.8178 4.69674 5.83438 9.27838 15.434 11.7291 5.57624 14.3084 9.57965 9.52749 numMergedOcc 0
35 mol 72 unq 2 iso 0 dist 8.8178 4.69674 5.83438 9.27838 15.434 11.7291 4.03844 12.4827 7.52245 6.91169 numMergedOcc 0
36 mol 72 unq 3 iso 0 dist 9.96708 4.69674 11.8198 9.27838 11.6378 11.7291 5.69391 9.55118 10.2763 7.58875 numMergedOcc 0
37 mol 72 unq 4 iso 0 dist 9.96708 4.69674 11.8198 9.27838 11.6378 11.7291 5.57624 13.641 9.57965 9.52749 numMergedOcc 0
38 mol 72 unq 5 iso 0 dist 9.96708 4.69674 11.8198 9.27838 11.6378 11.7291 4.03844 12.111 7.52245 6.91169 numMergedOcc 0
39 mol 85 unq 0 iso 0 dist 7.97049 8.77199 5.46695 9.82915 9.29301 4.58085 11.9064 13.3997 9.49897 5.05893 numMergedOcc 0
40 mol 85 unq 1 iso 0 dist 7.97049 8.77199 5.46695 9.82915 9.29301 4.58085 14.7521 14.6517 10.0375 5.71866 numMergedOcc 0
41 mol 85 unq 2 iso 0 dist 7.47541 8.77199 11.3211 9.82915 13.5116 4.58085 11.9064 15.8175 9.49897 5.05893 numMergedOcc 0
42 mol 85 unq 3 iso 0 dist 7.47541 8.77199 11.3211 9.82915 13.5116 4.58085 14.7521 18.2645 10.0375 5.71866 numMergedOcc 0
43 mol 113 unq 0 iso 0 dist 5.86073 5.94552 4.38244 8.8822 10.1816 13.1665 13.9729 15.7535 18.8172 9.30645 numMergedOcc 0
44 mol 119 unq 0 iso 0 dist 6.18601 6.16081 7.36889 6.73586 5.13589 6.65893 4.39676 8.95212 4.22806 8.67537 numMergedOcc 0
45 mol 133 unq 0 iso 0 dist 6.80239 8.75049 5.58281 5.87634 4.54648 5.21958 13.7612 8.77023 5.47256 8.83732 numMergedOcc 0
46 mol 155 unq 0 iso 0 dist 6.43582 6.89245 4.47054 7.92304 5.50031 5.95578 4.91785 8.97626 10.8763 9.16358 numMergedOcc 0
47 mol 182 unq 0 iso 0 dist 9.31746 9.07173 9.87473 6.73956 7.68794 9.39191 4.88992 13.5224 12.7609 8.62102 numMergedOcc 0
48 mol 222 unq 0 iso 0 dist 8.01589 8.36659 6.24593 7.67576 10.3151 5.5933 6.84862 14.4477 12.4709 8.43195 numMergedOcc 0
49 mol 222 unq 1 iso 0 dist 8.01589 8.36659 6.24593 7.67576 10.3151 5.5933 9.53117 16.3082 13.3448 8.23406 numMergedOcc 0
50 mol 222 unq 2 iso 0 dist 8.01589 9.18913 6.80274 7.67576 10.3151 13.2849 6.84862 14.4477 15.2402 8.43195 numMergedOcc 0
51 mol 222 unq 3 iso 0 dist 8.01589 9.18913 6.80274 7.67576 10.3151 13.2849 9.53117 16.3082 17.9465 8.23406 numMergedOcc 0
52 mol 222 unq 4 iso 0 dist 7.7699 8.36659 7.27562 7.67576 7.81022 5.5933 6.84862 10.0233 12.4709 8.43195 numMergedOcc 0
53 mol 222 unq 5 iso 0 dist 7.7699 8.36659 7.27562 7.67576 7.81022 5.5933 9.53117 11.839 13.3448 8.23406 numMergedOcc 0
54 mol 222 unq 6 iso 0 dist 7.7699 9.18913 8.72187 7.67576 7.81022 13.2849 6.84862 10.0233 15.2402 8.43195 numMergedOcc 0
55 mol 222 unq 7 iso 0 dist 7.7699 9.18913 8.72187 7.67576 7.81022 13.2849 9.53117 11.839 17.9465 8.23406 numMergedOcc 0
56 mol 222 unq 8 iso 0 dist 7.21333 8.36659 10.367 7.67576 7.75656 5.5933 6.84862 5.56538 12.4709 8.43195 numMergedOcc 0
57 mol 222 unq 9 iso 0 dist 7.21333 8.36659 10.367 7.67576 7.75656 5.5933 9.53117 7.48954 13.3448 8.23406 numMergedOcc 0
58 mol 222 unq 10 iso 0 dist 7.21333 9.18913 12.4303 7.67576 7.75656 13.2849 6.84862 5.56538 15.2402 8.43195 numMergedOcc 0
59 mol 222 unq 11 iso 0 dist 7.21333 9.18913 12.4303 7.67576 7.75656 13.2849 9.53117 7.48954 17.9465 8.23406 numMergedOcc 0
60 mol 227 unq 0 iso 0 dist 7.09863 6.40086 6.16261 6.02296 6.35849 5.78036 5.83175 5.23634 8.60053 9.18728 numMergedOcc 0
61 mol 234 unq 0 iso 0 dist 8.41436 9.18589 10.3659 7.32499 10.7902 11.7131 13.1872 17.3846 19.251 7.77911 numMergedOcc 0
62 mol 234 unq 1 iso 0 dist 8.92474 9.18589 10.4355 7.32499 4.4288 11.7131 13.1872 11.3419 19.251 7.77911 numMergedOcc 0
