0 mol 18 unq 0 iso 0 dist 6.79099 13.4014 9.51761 9.05986 5.65084 12.6536 numMergedOcc 0
1 mol 18 unq 1 iso 0 dist 6.79099 5.27833 7.3094 9.05986 5.65084 9.36767 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 7.0928 6.32132 5.04899 11.7941 7.05196 6.47509 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 9.16827 7.23774 5.73819 10.4149 6.75943 4.96926 numMergedOcc 0
4 mol 43 unq 1 iso 0 dist 9.16827 12.092 6.20293 10.4149 6.75943 5.41726 numMergedOcc 0
5 mol 43 unq 2 iso 0 dist 9.16827 10.7423 8.93915 10.4149 6.75943 10.0383 numMergedOcc 0
6 mol 58 unq 0 iso 0 dist 7.15486 6.58144 6.64012 7.43516 9.08221 4.00553 numMergedOcc 0
7 mol 58 unq 1 iso 0 dist 7.15486 4.98107 9.4099 7.43516 9.08221 8.55984 numMergedOcc 0
8 mol 86 unq 0 iso 0 dist 7.26032 5.91309 9.5497 7.32234 7.90423 6.98209 numMergedOcc 0
9 mol 86 unq 1 iso 0 dist 5.49793 5.82069 9.5497 5.96801 7.90423 6.98209 numMergedOcc 0
10 mol 92 unq 0 iso 0 dist 8.22406 5.41023 9.64443 4.57682 9.36001 5.31547 numMergedOcc 0
11 mol 100 unq 0 iso 0 dist 5.09688 9.65979 6.45675 10.9005 7.82475 5.43561 numMergedOcc 0
12 mol 100 unq 1 iso 0 dist 5.09688 9.65979 6.45675 9.06539 5.35782 6.30222 numMergedOcc 0
13 mol 100 unq 2 iso 0 dist 5.09688 12.2879 7.47343 10.9005 7.82475 5.9143 numMergedOcc 0
14 mol 100 unq 3 iso 0 dist 5.09688 12.2879 7.47343 9.06539 5.35782 5.47563 numMergedOcc 0
15 mol 100 unq 4 iso 0 dist 5.09688 10.2364 8.86688 10.9005 7.82475 5.25234 numMergedOcc 0
16 mol 100 unq 5 iso 0 dist 5.09688 10.2364 8.86688 9.06539 5.35782 5.03232 numMergedOcc 0
17 mol 100 unq 6 iso 0 dist 9.26343 13.666 6.45675 16.0043 7.82475 5.43561 numMergedOcc 0
18 mol 100 unq 7 iso 0 dist 9.26343 13.666 6.45675 14.1132 5.35782 6.30222 numMergedOcc 0
19 mol 100 unq 8 iso 0 dist 9.26343 16.4386 7.47343 16.0043 7.82475 5.9143 numMergedOcc 0
20 mol 100 unq 9 iso 0 dist 9.26343 16.4386 7.47343 14.1132 5.35782 5.47563 numMergedOcc 0
21 mol 100 unq 10 iso 0 dist 9.26343 15.5646 8.86688 16.0043 7.82475 5.25234 numMergedOcc 0
22 mol 100 unq 11 iso 0 dist 9.26343 15.5646 8.86688 14.1132 5.35782 5.03232 numMergedOcc 0
23 mol 117 unq 0 iso 0 dist 9.41387 6.54872 9.84395 5.63489 6.10127 6.57678 numMergedOcc 0
24 mol 117 unq 1 iso 0 dist 9.41387 9.3855 7.90328 5.63489 6.10127 10.5783 numMergedOcc 0
25 mol 119 unq 0 iso 0 dist 8.59784 9.70986 8.73993 13.4766 7.64052 9.68677 numMergedOcc 0
26 mol 122 unq 0 iso 0 dist 5.09114 6.01457 8.37808 6.11558 6.00603 6.15636 numMergedOcc 0
27 mol 129 unq 0 iso 0 dist 8.14071 13.1328 5.83384 5.22333 5.58833 9.00231 numMergedOcc 0
28 mol 131 unq 0 iso 0 dist 6.38977 6.82985 8.40312 4.67452 9.27976 3.98662 numMergedOcc 0
29 mol 132 unq 0 iso 0 dist 9.0339 15.9368 7.7059 3.48657 6.89918 12.9631 numMergedOcc 0
30 mol 143 unq 0 iso 0 dist 8.72463 14.0766 5.99315 7.21648 7.36975 13.1926 numMergedOcc 0
31 mol 143 unq 1 iso 0 dist 8.72463 14.0766 5.99315 9.42107 5.40637 7.39837 numMergedOcc 0
32 mol 167 unq 0 iso 0 dist 6.64164 5.361 9.87651 5.02648 7.20495 7.87971 numMergedOcc 0
33 mol 167 unq 1 iso 0 dist 6.64164 5.361 9.87651 12.0503 9.2289 12.0033 numMergedOcc 0
34 mol 167 unq 2 iso 0 dist 6.64164 5.361 9.87651 10.1276 7.02548 11.6011 numMergedOcc 0
35 mol 178 unq 0 iso 0 dist 6.01118 9.73148 6.69288 5.23156 7.06025 6.42973 numMergedOcc 0
36 mol 204 unq 0 iso 0 dist 7.92766 14.0488 7.10633 6.6094 7.9133 10.7169 numMergedOcc 0
37 mol 204 unq 1 iso 0 dist 7.92766 7.58285 8.51516 6.6094 7.9133 5.57347 numMergedOcc 0
38 mol 205 unq 0 iso 0 dist 7.36642 4.87114 6.03031 8.66359 6.52816 9.49403 numMergedOcc 0
39 mol 205 unq 1 iso 0 dist 7.36642 9.43922 7.26832 8.66359 6.52816 13.514 numMergedOcc 0
40 mol 205 unq 2 iso 0 dist 7.36642 6.98312 7.80463 8.66359 6.52816 3.56269 numMergedOcc 0
41 mol 214 unq 0 iso 0 dist 6.83122 9.3424 9.65138 12.8946 7.46481 11.4955 numMergedOcc 0
42 mol 214 unq 1 iso 0 dist 6.83122 12.2622 7.14453 12.8946 7.46481 8.459 numMergedOcc 0
43 mol 214 unq 2 iso 0 dist 6.83122 6.75833 8.85478 12.8946 7.46481 11.1534 numMergedOcc 0
44 mol 222 unq 0 iso 0 dist 7.14277 4.02914 7.21333 5.85969 5.56538 6.84862 numMergedOcc 0
45 mol 222 unq 1 iso 0 dist 7.14277 4.02914 7.21333 9.34147 7.48954 9.53117 numMergedOcc 0
46 mol 238 unq 0 iso 0 dist 7.13194 9.05069 5.72887 13.1414 9.72188 7.06793 numMergedOcc 0
47 mol 238 unq 1 iso 0 dist 7.80166 6.77788 5.72887 6.10342 9.72188 7.06793 numMergedOcc 0
48 mol 238 unq 2 iso 0 dist 9.2521 12.8083 6.22714 12.95 9.08509 12.7938 numMergedOcc 0
49 mol 238 unq 3 iso 0 dist 9.2521 10.1821 7.31233 12.95 9.08509 11.0772 numMergedOcc 0
50 mol 259 unq 0 iso 0 dist 6.49599 14.1932 8.13497 9.41512 9.46361 12.2293 numMergedOcc 0
51 mol 259 unq 1 iso 0 dist 6.49599 13.8605 7.88519 9.41512 9.46361 11.6988 numMergedOcc 0
52 mol 259 unq 2 iso 0 dist 9.47382 13.8605 7.46176 11.8307 5.85442 10.067 numMergedOcc 0
53 mol 259 unq 3 iso 0 dist 9.47382 13.8605 7.46176 9.41512 6.95511 11.6988 numMergedOcc 0
54 mol 292 unq 0 iso 0 dist 5.69465 8.46956 8.2734 4.54051 7.20674 7.8414 numMergedOcc 0
55 mol 292 unq 1 iso 0 dist 5.69465 8.46956 8.2734 5.92893 8.38121 14.179 numMergedOcc 0
