0 mol 0 unq 0 iso 0 dist 7.65806 6.91778 9.15528 9.67081 8.29174 5.8463 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 8.41585 5.99972 12.0193 7.78327 13.5229 3.54153 numMergedOcc 0
2 mol 11 unq 0 iso 0 dist 4.61088 5.96346 6.86684 8.68293 7.28643 13.5125 numMergedOcc 0
3 mol 11 unq 1 iso 0 dist 4.61088 5.96346 6.86684 6.84216 9.68636 6.76736 numMergedOcc 0
4 mol 19 unq 0 iso 0 dist 4.51865 6.41423 4.64838 7.7312 4.44441 5.31883 numMergedOcc 0
5 mol 19 unq 1 iso 0 dist 6.864 6.41423 4.97119 7.7312 10.0411 5.31883 numMergedOcc 0
6 mol 24 unq 0 iso 0 dist 6.86014 7.33768 4.32034 7.49157 8.66248 7.02381 numMergedOcc 0
7 mol 24 unq 1 iso 0 dist 6.86014 7.33768 4.32034 7.73794 6.73521 7.18485 numMergedOcc 0
8 mol 24 unq 2 iso 0 dist 6.86014 9.01567 8.67951 7.49157 8.66248 13.4969 numMergedOcc 0
9 mol 24 unq 3 iso 0 dist 6.86014 9.01567 8.67951 7.73794 6.73521 13.9252 numMergedOcc 0
10 mol 24 unq 4 iso 0 dist 6.86014 7.29868 8.52463 7.49157 8.66248 14.1137 numMergedOcc 0
11 mol 24 unq 5 iso 0 dist 6.86014 7.29868 8.52463 7.73794 6.73521 13.4584 numMergedOcc 0
12 mol 24 unq 6 iso 0 dist 5.54419 8.70827 5.59311 8.23075 6.7846 12.2271 numMergedOcc 0
13 mol 24 unq 7 iso 0 dist 5.54419 8.70827 5.59311 4.7841 8.03955 12.6431 numMergedOcc 0
14 mol 24 unq 8 iso 0 dist 5.54419 6.73939 12.176 8.23075 6.7846 12.2839 numMergedOcc 0
15 mol 24 unq 9 iso 0 dist 5.54419 6.73939 12.176 4.7841 8.03955 6.22954 numMergedOcc 0
16 mol 25 unq 0 iso 0 dist 7.31767 8.6653 5.64303 7.03372 7.23535 10.3493 numMergedOcc 0
17 mol 25 unq 1 iso 0 dist 6.03987 8.6653 5.82503 7.03372 9.92243 10.3493 numMergedOcc 0
18 mol 43 unq 0 iso 0 dist 8.80331 8.95682 6.18002 9.02471 12.6657 10.4863 numMergedOcc 0
19 mol 43 unq 1 iso 0 dist 6.20293 8.95682 8.38399 9.02471 14.0654 10.4863 numMergedOcc 0
20 mol 52 unq 0 iso 0 dist 9.80098 6.31696 11.6682 6.22221 8.88455 5.88357 numMergedOcc 0
21 mol 52 unq 1 iso 0 dist 7.34143 6.31696 6.66056 6.22221 9.53385 5.88357 numMergedOcc 0
22 mol 58 unq 0 iso 0 dist 6.81627 7.21955 7.09066 9.4278 7.93183 4.97525 numMergedOcc 0
23 mol 58 unq 1 iso 0 dist 7.32874 7.21955 7.12541 9.4278 10.7675 4.97525 numMergedOcc 0
24 mol 58 unq 2 iso 0 dist 6.86465 9.92355 5.78774 9.23438 4.59417 8.76454 numMergedOcc 0
25 mol 58 unq 3 iso 0 dist 6.35756 7.68678 5.78774 7.17488 4.59417 8.76454 numMergedOcc 0
26 mol 58 unq 4 iso 0 dist 9.55426 7.21955 5.74871 9.4278 10.5901 4.97525 numMergedOcc 0
27 mol 72 unq 0 iso 0 dist 8.8178 9.27838 15.434 4.86198 5.21565 13.6186 numMergedOcc 0
28 mol 72 unq 1 iso 0 dist 9.96708 9.27838 11.6378 4.86198 10.7434 13.6186 numMergedOcc 0
29 mol 75 unq 0 iso 0 dist 7.79912 9.81166 11.4997 9.16597 4.74027 7.98253 numMergedOcc 0
30 mol 85 unq 0 iso 0 dist 7.95579 7.54568 10.2865 8.04242 5.76272 13.5973 numMergedOcc 0
31 mol 85 unq 1 iso 0 dist 6.19965 7.54568 8.09967 8.04242 8.18948 13.5973 numMergedOcc 0
32 mol 85 unq 2 iso 0 dist 7.66905 7.54568 4.65335 8.04242 14.113 13.5973 numMergedOcc 0
33 mol 92 unq 0 iso 0 dist 9.33898 8.91313 17.5889 8.85601 17.4771 4.17255 numMergedOcc 0
34 mol 92 unq 1 iso 0 dist 9.33898 8.16392 10.8304 8.85601 17.4771 9.96839 numMergedOcc 0
35 mol 92 unq 2 iso 0 dist 9.64443 8.91313 13.3881 8.85601 10.2467 4.17255 numMergedOcc 0
36 mol 92 unq 3 iso 0 dist 9.64443 8.16392 5.90097 8.85601 10.2467 9.96839 numMergedOcc 0
37 mol 98 unq 0 iso 0 dist 5.08437 6.65501 4.4057 7.92856 8.29813 11.6496 numMergedOcc 0
38 mol 98 unq 1 iso 0 dist 6.48948 6.65501 7.42446 7.92856 13.2057 11.6496 numMergedOcc 0
39 mol 98 unq 2 iso 0 dist 6.10456 6.65501 9.67482 7.92856 12.7473 11.6496 numMergedOcc 0
40 mol 102 unq 0 iso 0 dist 7.36792 8.31932 7.42011 5.54256 3.48119 7.28191 numMergedOcc 0
41 mol 113 unq 0 iso 0 dist 5.86073 8.8822 10.1816 7.02367 5.37655 5.40648 numMergedOcc 0
42 mol 113 unq 1 iso 0 dist 5.86073 8.8822 10.1816 9.30832 5.46207 15.5674 numMergedOcc 0
43 mol 113 unq 2 iso 0 dist 5.86073 9.66219 8.42718 7.02367 5.37655 3.52111 numMergedOcc 0
44 mol 113 unq 3 iso 0 dist 5.86073 9.66219 8.42718 9.30832 5.46207 13.7232 numMergedOcc 0
45 mol 114 unq 0 iso 0 dist 7.5732 6.84011 7.436 9.93438 6.25685 5.99273 numMergedOcc 0
46 mol 115 unq 0 iso 0 dist 5.39945 6.97707 5.31484 4.76974 4.18693 8.16155 numMergedOcc 0
47 mol 115 unq 1 iso 0 dist 5.39945 6.97707 5.31484 8.0336 7.41059 11.4853 numMergedOcc 0
48 mol 122 unq 0 iso 0 dist 8.37808 8.88537 5.0355 4.42563 7.90729 8.90201 numMergedOcc 0
49 mol 122 unq 1 iso 0 dist 8.37808 9.23819 7.39059 4.42563 7.90729 11.3935 numMergedOcc 0
50 mol 130 unq 0 iso 0 dist 9.28393 7.96646 6.73735 5.92733 6.00473 3.88766 numMergedOcc 0
51 mol 131 unq 0 iso 0 dist 6.85062 8.70296 14.2045 8.80895 11.6692 5.92118 numMergedOcc 0
52 mol 131 unq 1 iso 0 dist 6.85062 9.25558 5.09131 8.80895 11.6692 10.2176 numMergedOcc 0
53 mol 143 unq 0 iso 0 dist 5.99315 7.78652 6.48978 8.99891 9.14188 14.3396 numMergedOcc 0
54 mol 143 unq 1 iso 0 dist 5.99315 8.91301 5.20762 8.99891 9.14188 12.476 numMergedOcc 0
55 mol 175 unq 0 iso 0 dist 9.29945 9.39352 7.27408 9.19156 13.8965 11.8094 numMergedOcc 0
56 mol 181 unq 0 iso 0 dist 7.81386 5.94469 7.77758 8.29467 6.13927 3.63671 numMergedOcc 0
57 mol 181 unq 1 iso 0 dist 7.63312 5.94469 12.5387 8.29467 13.2274 3.63671 numMergedOcc 0
58 mol 205 unq 0 iso 0 dist 7.26832 5.44002 10.3603 7.13783 13.3822 4.76454 numMergedOcc 0
59 mol 205 unq 1 iso 0 dist 9.61492 4.8668 9.13652 9.31158 10.8636 9.43113 numMergedOcc 0
60 mol 205 unq 2 iso 0 dist 7.45763 4.8668 5.8535 9.31158 5.42503 9.43113 numMergedOcc 0
61 mol 206 unq 0 iso 0 dist 8.02137 7.75885 12.7604 6.23183 8.20841 9.36584 numMergedOcc 0
62 mol 206 unq 1 iso 0 dist 7.7366 6.16414 6.45859 4.51255 7.83734 9.36584 numMergedOcc 0
63 mol 206 unq 2 iso 0 dist 7.7366 7.33701 4.40897 4.51255 7.83734 8.97305 numMergedOcc 0
64 mol 206 unq 3 iso 0 dist 7.7366 8.0871 7.62219 4.51255 7.83734 8.90838 numMergedOcc 0
65 mol 206 unq 4 iso 0 dist 9.774 7.75885 6.45859 6.23183 7.83734 9.36584 numMergedOcc 0
66 mol 210 unq 0 iso 0 dist 6.18308 7.10826 5.87279 6.85824 4.29623 4.73037 numMergedOcc 0
67 mol 222 unq 0 iso 0 dist 8.01589 7.67576 10.3151 5.1609 6.91863 3.98604 numMergedOcc 0
68 mol 222 unq 1 iso 0 dist 8.01589 9.82371 8.52017 5.1609 6.91863 7.99695 numMergedOcc 0
69 mol 222 unq 2 iso 0 dist 7.7699 7.67576 7.81022 5.1609 8.26703 3.98604 numMergedOcc 0
70 mol 222 unq 3 iso 0 dist 7.7699 9.82371 15.7504 5.1609 8.26703 7.99695 numMergedOcc 0
71 mol 222 unq 4 iso 0 dist 7.21333 7.67576 7.75656 5.1609 8.89157 3.98604 numMergedOcc 0
72 mol 222 unq 5 iso 0 dist 7.21333 9.82371 16.0949 5.1609 8.89157 7.99695 numMergedOcc 0
73 mol 231 unq 0 iso 0 dist 7.37839 7.79066 9.0443 9.9868 16.456 10.5016 numMergedOcc 0
74 mol 231 unq 1 iso 0 dist 7.37839 7.79066 9.0443 7.3268 6.63423 4.02097 numMergedOcc 0
75 mol 231 unq 2 iso 0 dist 8.40182 7.79066 12.1512 9.9868 17.7601 10.5016 numMergedOcc 0
76 mol 231 unq 3 iso 0 dist 8.40182 7.79066 12.1512 7.3268 10.3815 4.02097 numMergedOcc 0
77 mol 232 unq 0 iso 0 dist 8.27212 9.05071 8.80479 8.25985 4.04428 12.159 numMergedOcc 0
78 mol 232 unq 1 iso 0 dist 8.27212 9.05071 8.80479 9.27788 4.22149 8.36223 numMergedOcc 0
79 mol 235 unq 0 iso 0 dist 5.4638 9.55668 7.60081 8.08965 4.75609 6.82702 numMergedOcc 0
80 mol 239 unq 0 iso 0 dist 6.16342 8.84636 4.30299 4.43499 4.32238 5.76503 numMergedOcc 0
81 mol 258 unq 0 iso 0 dist 6.97229 7.6595 6.7919 7.12221 6.24714 4.97531 numMergedOcc 0
82 mol 258 unq 1 iso 0 dist 6.97229 7.6595 6.7919 5.4557 4.02333 7.26991 numMergedOcc 0
83 mol 274 unq 0 iso 0 dist 7.56915 9.85289 6.20558 9.83622 4.24652 5.14522 numMergedOcc 0
84 mol 274 unq 1 iso 0 dist 8.49997 9.85289 11.4459 9.83622 7.38951 5.14522 numMergedOcc 0
85 mol 292 unq 0 iso 0 dist 8.2734 7.07965 10.8848 6.69619 4.02751 8.31265 numMergedOcc 0
86 mol 292 unq 1 iso 0 dist 8.2734 7.07965 10.8848 4.49592 5.99797 5.06937 numMergedOcc 0
