0 mol 10 unq 0 iso 0 dist 8.93461 11.0871 9.78153 18.1516 17.1926 8.99402 numMergedOcc 0
1 mol 29 unq 0 iso 0 dist 9.99467 5.97548 5.36278 10.2037 8.02814 7.71924 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 9.04514 9.66389 5.35252 11.1779 5.03338 7.38928 numMergedOcc 0
3 mol 64 unq 0 iso 0 dist 9.82294 7.89444 5.66803 12.8981 5.88036 6.08228 numMergedOcc 0
4 mol 64 unq 1 iso 0 dist 9.82294 18.0124 8.85416 12.8981 5.88036 9.86958 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 9.27044 12.456 7.58027 18.4312 9.96367 8.4438 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 8.98208 12.456 4.34694 18.4312 9.65371 8.4438 numMergedOcc 0
7 mol 73 unq 2 iso 0 dist 8.73093 12.3943 7.48556 13.118 4.97519 5.92936 numMergedOcc 0
8 mol 73 unq 3 iso 0 dist 9.1622 12.3943 9.47045 13.118 9.95663 5.92936 numMergedOcc 0
9 mol 73 unq 4 iso 0 dist 8.02104 9.57143 7.48556 11.5539 4.97519 5.92936 numMergedOcc 0
10 mol 73 unq 5 iso 0 dist 7.59013 9.57143 9.47045 11.5539 9.95663 5.92936 numMergedOcc 0
11 mol 76 unq 0 iso 0 dist 8.92491 8.04327 5.73235 9.06225 5.22567 7.02854 numMergedOcc 0
12 mol 76 unq 1 iso 0 dist 7.41861 7.7047 5.73235 12.1652 5.22567 7.02854 numMergedOcc 0
13 mol 79 unq 0 iso 0 dist 5.55798 6.05149 8.64686 8.71103 9.57704 7.41952 numMergedOcc 0
14 mol 99 unq 0 iso 0 dist 5.61946 6.02095 8.68674 5.33644 4.74328 6.81741 numMergedOcc 0
15 mol 103 unq 0 iso 0 dist 8.23356 5.86578 6.56481 11.9113 5.73608 7.81042 numMergedOcc 0
16 mol 114 unq 0 iso 0 dist 8.79677 11.5575 6.54778 11.3418 4.84565 9.6874 numMergedOcc 0
17 mol 129 unq 0 iso 0 dist 5.16531 12.2874 9.52061 11.6486 7.12885 8.34427 numMergedOcc 0
18 mol 129 unq 1 iso 0 dist 6.65878 5.0466 7.6453 8.63018 5.06265 7.07421 numMergedOcc 0
19 mol 132 unq 0 iso 0 dist 8.72039 7.53392 9.39389 12.8674 10.8474 8.15549 numMergedOcc 0
20 mol 133 unq 0 iso 0 dist 6.9268 8.75242 5.79195 6.85651 5.35551 9.07294 numMergedOcc 0
21 mol 133 unq 1 iso 0 dist 6.9268 14.0828 9.2759 16.9398 10.8516 5.12189 numMergedOcc 0
22 mol 133 unq 2 iso 0 dist 6.9268 14.0828 9.2759 6.85651 5.35551 7.50126 numMergedOcc 0
23 mol 133 unq 3 iso 0 dist 8.19166 6.45333 5.79195 7.03858 5.35551 9.07294 numMergedOcc 0
24 mol 133 unq 4 iso 0 dist 8.19166 11.5586 9.2759 15.5532 10.8516 5.12189 numMergedOcc 0
25 mol 133 unq 5 iso 0 dist 8.19166 11.5586 9.2759 7.03858 5.35551 7.50126 numMergedOcc 0
26 mol 147 unq 0 iso 0 dist 5.47265 7.75436 5.32865 8.52428 4.61905 9.13646 numMergedOcc 0
27 mol 158 unq 0 iso 0 dist 8.80952 11.2678 9.96635 11.946 10.9312 7.07348 numMergedOcc 0
28 mol 159 unq 0 iso 0 dist 8.20121 10.242 6.86212 12.5372 8.83633 7.60912 numMergedOcc 0
29 mol 159 unq 1 iso 0 dist 7.52779 10.242 9.9368 12.5372 13.4546 7.60912 numMergedOcc 0
30 mol 167 unq 0 iso 0 dist 6.28957 5.44954 7.20545 12.7444 9.97915 9.82329 numMergedOcc 0
31 mol 167 unq 1 iso 0 dist 7.34285 9.15105 7.20545 14.7796 9.97915 9.82329 numMergedOcc 0
32 mol 183 unq 0 iso 0 dist 7.67623 10.7145 8.29364 11.9056 6.39127 7.69421 numMergedOcc 0
33 mol 183 unq 1 iso 0 dist 7.99897 4.0252 8.29364 7.38821 6.39127 7.69421 numMergedOcc 0
34 mol 183 unq 2 iso 0 dist 7.58913 5.66126 8.29364 10.6152 6.39127 7.69421 numMergedOcc 0
35 mol 183 unq 3 iso 0 dist 6.0782 5.66126 8.97652 10.6152 9.01399 7.69421 numMergedOcc 0
36 mol 186 unq 0 iso 0 dist 6.36789 12.6035 6.72718 9.89709 6.12748 7.02662 numMergedOcc 0
37 mol 189 unq 0 iso 0 dist 9.01418 10.2802 9.47321 13.0356 8.03657 5.11059 numMergedOcc 0
38 mol 192 unq 0 iso 0 dist 9.78743 13.2525 6.2016 7.252 5.21255 7.30965 numMergedOcc 0
39 mol 217 unq 0 iso 0 dist 9.82478 7.95492 7.60302 12.1881 5.16489 6.01666 numMergedOcc 0
40 mol 217 unq 1 iso 0 dist 7.80898 4.10975 7.60302 8.79299 5.16489 6.01666 numMergedOcc 0
41 mol 226 unq 0 iso 0 dist 9.03261 9.96567 8.74399 12.1792 12.3908 7.20862 numMergedOcc 0
42 mol 230 unq 0 iso 0 dist 5.19913 6.28086 9.24729 11.236 11.0843 6.88683 numMergedOcc 0
43 mol 236 unq 0 iso 0 dist 9.51001 11.094 4.71683 16.9783 8.3795 9.13126 numMergedOcc 0
44 mol 239 unq 0 iso 0 dist 4.53228 6.54316 7.58554 8.68803 5.94643 9.59937 numMergedOcc 0
45 mol 239 unq 1 iso 0 dist 8.54078 6.2497 7.58554 13.3402 5.94643 9.59937 numMergedOcc 0
46 mol 245 unq 0 iso 0 dist 9.59668 5.43086 7.95061 11.5225 11.8346 7.26913 numMergedOcc 0
47 mol 245 unq 1 iso 0 dist 9.59668 5.43086 7.95061 6.58637 3.53109 6.41862 numMergedOcc 0
48 mol 245 unq 2 iso 0 dist 9.59668 5.43086 7.95061 5.48167 9.71014 8.69377 numMergedOcc 0
49 mol 245 unq 3 iso 0 dist 9.59668 14.5112 9.5096 12.7508 4.20594 8.26223 numMergedOcc 0
50 mol 258 unq 0 iso 0 dist 8.53084 11.0749 8.58092 16.7315 13.2474 8.97411 numMergedOcc 0
51 mol 258 unq 1 iso 0 dist 5.9223 9.26732 8.58092 10.3095 13.2474 8.97411 numMergedOcc 0
52 mol 265 unq 0 iso 0 dist 8.5774 7.53666 7.52632 10.5131 3.89234 9.50814 numMergedOcc 0
53 mol 265 unq 1 iso 0 dist 9.94957 4.47698 7.52632 10.3071 3.89234 9.50814 numMergedOcc 0
54 mol 265 unq 2 iso 0 dist 8.01664 5.62902 7.52632 8.22353 3.89234 9.50814 numMergedOcc 0
55 mol 266 unq 0 iso 0 dist 7.3055 6.1113 6.57444 10.0039 13.1376 9.63694 numMergedOcc 0
56 mol 266 unq 1 iso 0 dist 7.3055 6.1113 6.57444 10.8326 5.91091 6.58277 numMergedOcc 0
57 mol 266 unq 2 iso 0 dist 7.3055 14.487 9.39714 10.8326 5.91091 8.12204 numMergedOcc 0
58 mol 273 unq 0 iso 0 dist 6.91029 5.64983 6.02879 10.5115 5.40861 8.26333 numMergedOcc 0
59 mol 277 unq 0 iso 0 dist 8.99435 9.74634 8.04712 9.79536 4.81768 8.81903 numMergedOcc 0
60 mol 287 unq 0 iso 0 dist 7.3388 5.66584 6.96774 12.4464 10.4601 8.0935 numMergedOcc 0
61 mol 287 unq 1 iso 0 dist 6.96248 5.66584 7.14859 12.4464 8.13485 8.0935 numMergedOcc 0
62 mol 288 unq 0 iso 0 dist 7.3388 5.66584 6.96774 12.4464 10.4601 8.0935 numMergedOcc 0
63 mol 288 unq 1 iso 0 dist 6.96248 5.66584 7.14859 12.4464 8.13485 8.0935 numMergedOcc 0
64 mol 289 unq 0 iso 0 dist 7.3388 5.66584 6.96774 12.4464 10.4601 8.0935 numMergedOcc 0
65 mol 289 unq 1 iso 0 dist 6.96248 5.66584 7.14859 12.4464 8.13485 8.0935 numMergedOcc 0
66 mol 294 unq 0 iso 0 dist 9.4943 7.88101 9.77023 11.7157 7.87494 5.76337 numMergedOcc 0
67 mol 294 unq 1 iso 0 dist 9.4943 7.88101 9.77023 16.0579 11.4878 9.39625 numMergedOcc 0
