0 mol 9 unq 0 iso 0 dist 9.93613 9.03359 8.04924 12.0088 7.05919 3.91075 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 6.73259 10.1809 7.61055 5.23054 6.73167 10.267 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 6.73259 10.1809 7.61055 6.65309 7.40948 6.77624 numMergedOcc 0
3 mol 26 unq 2 iso 0 dist 8.60352 4.53839 7.61055 12.0047 6.73167 10.267 numMergedOcc 0
4 mol 26 unq 3 iso 0 dist 8.60352 4.53839 7.61055 3.7444 7.40948 6.77624 numMergedOcc 0
5 mol 34 unq 0 iso 0 dist 9.69215 11.6013 9.36424 9.96454 9.58596 5.31195 numMergedOcc 0
6 mol 39 unq 0 iso 0 dist 6.12212 11.6261 8.19733 8.45505 7.99016 5.94068 numMergedOcc 0
7 mol 39 unq 1 iso 0 dist 6.12212 11.6261 8.19733 8.17661 6.41793 6.96883 numMergedOcc 0
8 mol 39 unq 2 iso 0 dist 6.12212 11.6261 8.19733 3.85593 6.50101 9.56481 numMergedOcc 0
9 mol 39 unq 3 iso 0 dist 6.12212 5.48821 8.57165 8.45505 7.99016 13.5954 numMergedOcc 0
10 mol 39 unq 4 iso 0 dist 6.12212 5.48821 8.57165 8.17661 6.41793 13.0639 numMergedOcc 0
11 mol 39 unq 5 iso 0 dist 6.12212 5.48821 8.57165 3.85593 6.50101 9.32558 numMergedOcc 0
12 mol 41 unq 0 iso 0 dist 8.19484 5.14132 5.52067 9.90656 7.56029 9.95354 numMergedOcc 0
13 mol 68 unq 0 iso 0 dist 5.74389 10.492 8.80104 4.62009 8.05514 11.8533 numMergedOcc 0
14 mol 71 unq 0 iso 0 dist 8.67545 6.82169 6.48531 10.3685 9.16452 4.36469 numMergedOcc 0
15 mol 74 unq 0 iso 0 dist 9.43699 10.1834 4.79413 8.38339 6.3567 5.38404 numMergedOcc 0
16 mol 74 unq 1 iso 0 dist 5.23115 3.94075 4.79413 8.14688 6.3567 5.38404 numMergedOcc 0
17 mol 76 unq 0 iso 0 dist 7.81334 5.72925 8.69209 10.4613 9.86664 5.55865 numMergedOcc 0
18 mol 93 unq 0 iso 0 dist 8.42713 12.5605 7.85041 3.91263 7.8435 12.1673 numMergedOcc 0
19 mol 93 unq 1 iso 0 dist 8.42713 12.5605 7.85041 5.59024 5.99269 7.30779 numMergedOcc 0
20 mol 93 unq 2 iso 0 dist 8.42713 12.5605 7.85041 12.9872 5.71763 9.18194 numMergedOcc 0
21 mol 93 unq 3 iso 0 dist 8.21032 10.878 7.85041 15.8131 7.8435 12.1673 numMergedOcc 0
22 mol 93 unq 4 iso 0 dist 8.21032 10.878 7.85041 13.6266 5.99269 7.30779 numMergedOcc 0
23 mol 93 unq 5 iso 0 dist 8.21032 10.878 7.85041 5.17052 5.71763 9.18194 numMergedOcc 0
24 mol 130 unq 0 iso 0 dist 7.62584 4.9574 6.42785 11.9741 6.5739 11.4437 numMergedOcc 0
25 mol 130 unq 1 iso 0 dist 7.39532 6.53156 6.42785 9.25976 6.5739 11.4437 numMergedOcc 0
26 mol 130 unq 2 iso 0 dist 6.62468 6.53156 6.82089 8.17131 8.24966 4.02212 numMergedOcc 0
27 mol 130 unq 3 iso 0 dist 6.62468 4.72188 5.38314 8.17131 8.24966 5.46642 numMergedOcc 0
28 mol 147 unq 0 iso 0 dist 6.4752 4.10092 5.1101 11.5768 9.43989 11.4653 numMergedOcc 0
29 mol 147 unq 1 iso 0 dist 6.4752 4.47436 7.01133 11.5768 9.43989 7.68412 numMergedOcc 0
30 mol 154 unq 0 iso 0 dist 9.2042 12.9483 7.53158 5.18463 9.82982 12.9875 numMergedOcc 0
31 mol 154 unq 1 iso 0 dist 9.2042 9.90775 7.43407 5.18463 9.82982 11.8727 numMergedOcc 0
32 mol 158 unq 0 iso 0 dist 6.92225 5.49464 6.39981 9.02669 6.11331 9.88872 numMergedOcc 0
33 mol 159 unq 0 iso 0 dist 9.90625 8.34466 7.13269 6.30259 6.07821 4.27525 numMergedOcc 0
34 mol 194 unq 0 iso 0 dist 7.47107 11.5684 9.77862 12.1522 5.53324 8.31541 numMergedOcc 0
35 mol 194 unq 1 iso 0 dist 7.47107 11.5684 9.77862 5.18485 6.72182 6.72001 numMergedOcc 0
36 mol 225 unq 0 iso 0 dist 8.28454 8.59036 7.29542 11.1052 9.87668 13.317 numMergedOcc 0
37 mol 225 unq 1 iso 0 dist 8.28454 8.59036 7.29542 3.60045 8.42121 10.43 numMergedOcc 0
38 mol 225 unq 2 iso 0 dist 8.28454 8.59036 7.29542 12.7272 7.8744 6.24324 numMergedOcc 0
39 mol 225 unq 3 iso 0 dist 8.28454 8.59036 7.29542 10.6169 4.98402 10.7885 numMergedOcc 0
40 mol 227 unq 0 iso 0 dist 8.12518 4.71182 9.20589 10.4658 5.28771 9.08701 numMergedOcc 0
41 mol 227 unq 1 iso 0 dist 8.12518 7.51342 7.89801 10.4658 5.28771 12.0749 numMergedOcc 0
42 mol 237 unq 0 iso 0 dist 9.74081 9.68452 7.35569 6.94282 8.7414 9.99177 numMergedOcc 0
43 mol 250 unq 0 iso 0 dist 9.43554 14.0983 8.70484 6.9412 7.22664 9.91231 numMergedOcc 0
44 mol 250 unq 1 iso 0 dist 9.43554 14.0983 8.70484 6.56481 7.15762 8.25599 numMergedOcc 0
45 mol 250 unq 2 iso 0 dist 9.21681 10.9117 8.70484 15.9167 7.22664 9.91231 numMergedOcc 0
46 mol 250 unq 3 iso 0 dist 9.21681 10.9117 8.70484 12.9916 7.15762 8.25599 numMergedOcc 0
47 mol 252 unq 0 iso 0 dist 5.22349 7.31906 6.57207 10.7358 9.39658 9.43777 numMergedOcc 0
48 mol 252 unq 1 iso 0 dist 9.81593 7.31906 5.2361 9.75376 8.19529 4.21466 numMergedOcc 0
49 mol 252 unq 2 iso 0 dist 9.81593 7.31906 5.2361 10.8474 6.45396 6.19861 numMergedOcc 0
50 mol 252 unq 3 iso 0 dist 9.81593 12.2338 5.57515 9.75376 8.19529 11.9287 numMergedOcc 0
51 mol 252 unq 4 iso 0 dist 9.81593 12.2338 5.57515 10.8474 6.45396 7.84988 numMergedOcc 0
52 mol 252 unq 5 iso 0 dist 9.81593 14.2535 8.28694 9.75376 8.19529 11.5083 numMergedOcc 0
53 mol 252 unq 6 iso 0 dist 9.81593 14.2535 8.28694 10.8474 6.45396 6.38319 numMergedOcc 0
54 mol 252 unq 7 iso 0 dist 9.78248 12.8039 5.2361 12.4311 8.19529 4.21466 numMergedOcc 0
55 mol 252 unq 8 iso 0 dist 9.78248 12.8039 5.2361 8.1205 6.45396 6.19861 numMergedOcc 0
56 mol 252 unq 9 iso 0 dist 9.78248 8.32839 5.57515 12.4311 8.19529 11.9287 numMergedOcc 0
57 mol 252 unq 10 iso 0 dist 9.78248 8.32839 5.57515 8.1205 6.45396 7.84988 numMergedOcc 0
58 mol 252 unq 11 iso 0 dist 9.78248 5.63228 8.28694 12.4311 8.19529 11.5083 numMergedOcc 0
59 mol 252 unq 12 iso 0 dist 9.78248 5.63228 8.28694 8.1205 6.45396 6.38319 numMergedOcc 0
60 mol 264 unq 0 iso 0 dist 8.28871 9.63193 9.42738 3.63202 7.14086 9.04569 numMergedOcc 0
61 mol 264 unq 1 iso 0 dist 7.94668 12.2052 9.42738 13.3131 7.14086 9.04569 numMergedOcc 0
62 mol 270 unq 0 iso 0 dist 4.95899 5.90942 7.89335 8.4597 8.49032 4.28765 numMergedOcc 0
63 mol 270 unq 1 iso 0 dist 8.05859 12.734 6.31869 12.8011 7.39185 4.4142 numMergedOcc 0
64 mol 270 unq 2 iso 0 dist 8.05859 12.734 6.31869 12.2628 8.20158 3.98629 numMergedOcc 0
65 mol 279 unq 0 iso 0 dist 5.63154 7.73611 8.23056 3.77031 5.8304 6.25207 numMergedOcc 0
66 mol 279 unq 1 iso 0 dist 5.63154 7.73611 8.23056 9.11782 7.37478 10.8722 numMergedOcc 0
