0 mol 11 unq 0 iso 0 dist 9.53002 7.85924 5.43238 6.58046 3.56133 5.25331 numMergedOcc 0
1 mol 27 unq 0 iso 0 dist 9.77484 10.1814 8.11206 19.1612 14.0224 9.58751 numMergedOcc 0
2 mol 32 unq 0 iso 0 dist 8.68559 7.93694 7.18766 8.91596 4.84198 5.9972 numMergedOcc 0
3 mol 45 unq 0 iso 0 dist 9.20119 5.67689 8.59109 8.27463 3.82801 9.44125 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 8.09058 4.84988 9.54797 7.15542 5.59994 8.44353 numMergedOcc 0
5 mol 48 unq 1 iso 0 dist 8.09058 4.84988 9.54797 8.89047 7.78417 6.11249 numMergedOcc 0
6 mol 48 unq 2 iso 0 dist 8.09058 4.84988 9.54797 8.89003 5.47187 7.86326 numMergedOcc 0
7 mol 48 unq 3 iso 0 dist 8.09058 4.84988 9.54797 9.21413 12.3016 4.74786 numMergedOcc 0
8 mol 58 unq 0 iso 0 dist 6.40841 4.55117 8.80108 8.34191 3.8375 8.88313 numMergedOcc 0
9 mol 58 unq 1 iso 0 dist 6.40841 4.55117 8.80108 6.39747 6.11446 5.48837 numMergedOcc 0
10 mol 58 unq 2 iso 0 dist 6.40841 5.64209 6.50297 8.34191 3.8375 7.07522 numMergedOcc 0
11 mol 58 unq 3 iso 0 dist 6.40841 5.64209 6.50297 6.39747 6.11446 9.15753 numMergedOcc 0
12 mol 58 unq 4 iso 0 dist 8.63333 10.6476 6.96494 13.769 5.87305 7.07522 numMergedOcc 0
13 mol 58 unq 5 iso 0 dist 8.63333 10.6476 6.96494 18.6511 11.3972 9.15753 numMergedOcc 0
14 mol 58 unq 6 iso 0 dist 8.63333 5.92889 7.01363 9.23438 4.43437 8.98478 numMergedOcc 0
15 mol 58 unq 7 iso 0 dist 8.89374 12.7331 6.96494 14.728 5.87305 7.07522 numMergedOcc 0
16 mol 58 unq 8 iso 0 dist 8.89374 12.7331 6.96494 19.8414 11.3972 9.15753 numMergedOcc 0
17 mol 58 unq 9 iso 0 dist 8.89374 7.05413 7.01363 7.17488 4.43437 8.98478 numMergedOcc 0
18 mol 58 unq 10 iso 0 dist 6.46761 8.74789 6.96494 9.9779 5.87305 7.07522 numMergedOcc 0
19 mol 58 unq 11 iso 0 dist 6.46761 8.74789 6.96494 13.5879 11.3972 9.15753 numMergedOcc 0
20 mol 58 unq 12 iso 0 dist 6.46761 6.61756 7.01363 6.79356 4.43437 8.98478 numMergedOcc 0
21 mol 58 unq 13 iso 0 dist 7.58407 14.7581 8.80108 9.9779 3.8375 8.88313 numMergedOcc 0
22 mol 58 unq 14 iso 0 dist 7.58407 14.7581 8.80108 13.5879 6.11446 5.48837 numMergedOcc 0
23 mol 58 unq 15 iso 0 dist 7.58407 8.74789 6.50297 9.9779 3.8375 7.07522 numMergedOcc 0
24 mol 58 unq 16 iso 0 dist 7.58407 8.74789 6.50297 13.5879 6.11446 9.15753 numMergedOcc 0
25 mol 58 unq 17 iso 0 dist 9.73139 7.02095 6.96494 9.79064 5.87305 7.07522 numMergedOcc 0
26 mol 58 unq 18 iso 0 dist 9.73139 7.02095 6.96494 10.307 11.3972 9.15753 numMergedOcc 0
27 mol 58 unq 19 iso 0 dist 9.73139 8.94672 7.01363 12.2384 4.43437 8.98478 numMergedOcc 0
28 mol 58 unq 20 iso 0 dist 6.31428 10.3782 8.80108 9.79064 3.8375 8.88313 numMergedOcc 0
29 mol 58 unq 21 iso 0 dist 6.31428 10.3782 8.80108 10.307 6.11446 5.48837 numMergedOcc 0
30 mol 58 unq 22 iso 0 dist 6.31428 7.02095 6.50297 9.79064 3.8375 7.07522 numMergedOcc 0
31 mol 58 unq 23 iso 0 dist 6.31428 7.02095 6.50297 10.307 6.11446 9.15753 numMergedOcc 0
32 mol 88 unq 0 iso 0 dist 8.66514 5.90098 7.71582 9.07128 3.99025 6.1847 numMergedOcc 0
33 mol 88 unq 1 iso 0 dist 8.66514 5.90098 7.71582 6.65615 6.69123 4.70557 numMergedOcc 0
34 mol 88 unq 2 iso 0 dist 9.25235 5.90098 6.65776 9.07128 6.08504 6.1847 numMergedOcc 0
35 mol 88 unq 3 iso 0 dist 9.25235 5.90098 6.65776 6.65615 3.77436 4.70557 numMergedOcc 0
36 mol 114 unq 0 iso 0 dist 8.71128 9.2907 7.36816 9.93438 5.80637 9.26486 numMergedOcc 0
37 mol 114 unq 1 iso 0 dist 7.52743 5.33327 7.36816 10.7946 5.80637 9.26486 numMergedOcc 0
38 mol 114 unq 2 iso 0 dist 6.73814 6.95201 8.39249 12.7678 12.4143 7.93956 numMergedOcc 0
39 mol 127 unq 0 iso 0 dist 6.192 8.00931 6.3244 11.2241 6.92548 7.79077 numMergedOcc 0
40 mol 127 unq 1 iso 0 dist 7.69308 6.85862 6.3244 13.1015 6.92548 7.79077 numMergedOcc 0
41 mol 127 unq 2 iso 0 dist 8.59981 4.77464 6.3244 5.39356 6.92548 7.79077 numMergedOcc 0
42 mol 127 unq 3 iso 0 dist 7.66331 7.11695 6.3244 5.01504 6.92548 7.79077 numMergedOcc 0
43 mol 127 unq 4 iso 0 dist 9.81878 14.085 6.3244 17.6043 10.1788 9.70065 numMergedOcc 0
44 mol 141 unq 0 iso 0 dist 6.93652 7.57216 6.2135 7.46621 5.72856 6.40751 numMergedOcc 0
45 mol 141 unq 1 iso 0 dist 9.54444 6.96143 6.2135 10.8694 5.72856 6.40751 numMergedOcc 0
46 mol 181 unq 0 iso 0 dist 9.6668 11.6919 9.40622 17.4077 10.4087 7.61421 numMergedOcc 0
47 mol 187 unq 0 iso 0 dist 9.27478 6.62321 7.01496 11.9848 4.87462 9.87719 numMergedOcc 0
48 mol 213 unq 0 iso 0 dist 6.68292 11.1063 8.74171 11.8641 8.90887 7.77553 numMergedOcc 0
49 mol 218 unq 0 iso 0 dist 7.17547 4.54272 8.57853 6.09255 4.36581 9.39609 numMergedOcc 0
50 mol 218 unq 1 iso 0 dist 7.13323 6.8949 8.57853 10.0144 4.36581 9.39609 numMergedOcc 0
51 mol 218 unq 2 iso 0 dist 8.53199 7.47048 6.75035 7.84952 6.19774 8.5244 numMergedOcc 0
52 mol 225 unq 0 iso 0 dist 5.50387 10.7506 8.75834 18.3753 14.7677 9.27079 numMergedOcc 0
53 mol 228 unq 0 iso 0 dist 9.42615 4.81881 7.46689 9.25785 5.63283 8.29523 numMergedOcc 0
54 mol 228 unq 1 iso 0 dist 8.06181 4.81881 8.37287 9.25785 3.65229 8.29523 numMergedOcc 0
55 mol 228 unq 2 iso 0 dist 8.38048 6.5952 8.37287 10.7845 3.65229 8.29523 numMergedOcc 0
56 mol 228 unq 3 iso 0 dist 7.65132 11.1604 8.37287 10.6117 3.65229 8.29523 numMergedOcc 0
57 mol 228 unq 4 iso 0 dist 8.53764 10.1917 8.37287 11.3092 3.65229 8.29523 numMergedOcc 0
58 mol 228 unq 5 iso 0 dist 7.77367 4.75417 8.07174 9.01231 3.62742 8.13557 numMergedOcc 0
59 mol 228 unq 6 iso 0 dist 9.06121 4.75417 7.09766 9.01231 5.34726 8.13557 numMergedOcc 0
60 mol 228 unq 7 iso 0 dist 8.20909 6.53802 8.07174 10.7241 3.62742 8.13557 numMergedOcc 0
61 mol 228 unq 8 iso 0 dist 7.94506 11.0908 8.07174 10.8727 3.62742 8.13557 numMergedOcc 0
62 mol 228 unq 9 iso 0 dist 8.15494 10.0837 8.07174 10.978 3.62742 8.13557 numMergedOcc 0
63 mol 234 unq 0 iso 0 dist 6.16063 5.9221 8.49841 9.7221 11.8096 5.69634 numMergedOcc 0
64 mol 235 unq 0 iso 0 dist 5.65339 6.43692 7.27958 12.2745 9.32678 9.11149 numMergedOcc 0
65 mol 239 unq 0 iso 0 dist 7.39747 7.04058 6.34801 10.8831 3.89756 9.82674 numMergedOcc 0
66 mol 250 unq 0 iso 0 dist 8.80086 11.0402 7.88284 13.2027 6.14028 6.61917 numMergedOcc 0
67 mol 272 unq 0 iso 0 dist 7.67853 5.7074 6.75716 13.3184 13.0091 9.48951 numMergedOcc 0
68 mol 274 unq 0 iso 0 dist 6.50589 5.31116 8.49866 13.2967 15.8795 9.85661 numMergedOcc 0
69 mol 282 unq 0 iso 0 dist 9.58517 5.9438 6.73692 12.7479 3.617 8.6262 numMergedOcc 0
