0 mol 7 unq 0 iso 0 dist 8.88982 14.92 8.72114 16.991 9.67164 5.5683 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.8576 8.401 5.99972 5.33843 5.99459 6.12483 numMergedOcc 0
2 mol 21 unq 0 iso 0 dist 8.38921 6.25842 9.06424 5.20061 5.93898 6.17993 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 6.80849 14.1707 8.60554 6.08283 8.09311 15.4445 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 6.80849 14.1707 8.60554 6.99919 9.05357 11.8971 numMergedOcc 0
5 mol 24 unq 2 iso 0 dist 6.80849 6.3045 8.44664 6.08283 8.09311 3.84336 numMergedOcc 0
6 mol 24 unq 3 iso 0 dist 6.80849 6.3045 8.44664 6.99919 9.05357 7.01276 numMergedOcc 0
7 mol 24 unq 4 iso 0 dist 6.80849 9.47767 9.44691 6.08283 8.09311 13.0295 numMergedOcc 0
8 mol 24 unq 5 iso 0 dist 6.80849 9.47767 9.44691 6.99919 9.05357 4.02219 numMergedOcc 0
9 mol 25 unq 0 iso 0 dist 6.00307 6.03478 6.16347 3.8857 4.79873 5.46578 numMergedOcc 0
10 mol 25 unq 1 iso 0 dist 6.00307 6.03478 6.16347 11.2808 9.48085 9.62058 numMergedOcc 0
11 mol 25 unq 2 iso 0 dist 6.00307 9.60684 7.92503 3.8857 4.79873 11.0175 numMergedOcc 0
12 mol 25 unq 3 iso 0 dist 6.00307 9.60684 7.92503 11.2808 9.48085 10.2758 numMergedOcc 0
13 mol 30 unq 0 iso 0 dist 9.28346 6.51677 7.12365 4.02928 6.07517 4.98558 numMergedOcc 0
14 mol 62 unq 0 iso 0 dist 6.56664 6.71938 7.56205 5.68713 9.69044 4.09232 numMergedOcc 0
15 mol 62 unq 1 iso 0 dist 9.58156 6.71938 4.74544 5.68713 6.9103 4.09232 numMergedOcc 0
16 mol 62 unq 2 iso 0 dist 7.99003 5.31715 7.56205 6.72919 9.69044 4.09232 numMergedOcc 0
17 mol 62 unq 3 iso 0 dist 9.96382 6.76473 7.56205 3.78856 9.69044 4.09232 numMergedOcc 0
18 mol 62 unq 4 iso 0 dist 7.59416 6.76473 4.74544 3.78856 6.9103 4.09232 numMergedOcc 0
19 mol 95 unq 0 iso 0 dist 8.13273 15.7943 9.49454 3.84897 8.27883 15.7954 numMergedOcc 0
20 mol 95 unq 1 iso 0 dist 8.13273 15.7943 9.49454 5.78182 5.75428 10.4348 numMergedOcc 0
21 mol 95 unq 2 iso 0 dist 8.13273 15.7943 9.49454 12.5746 8.57395 5.88327 numMergedOcc 0
22 mol 95 unq 3 iso 0 dist 8.13273 15.7943 9.49454 16.9294 9.85409 3.96826 numMergedOcc 0
23 mol 108 unq 0 iso 0 dist 5.45787 5.35819 9.01852 5.45 7.93045 10.2851 numMergedOcc 0
24 mol 108 unq 1 iso 0 dist 5.45787 6.01187 9.75958 5.45 7.93045 4.05553 numMergedOcc 0
25 mol 113 unq 0 iso 0 dist 8.29529 5.89952 8.8822 7.05148 8.80934 7.1951 numMergedOcc 0
26 mol 113 unq 1 iso 0 dist 8.29529 5.58964 9.66219 7.05148 8.80934 3.84573 numMergedOcc 0
27 mol 122 unq 0 iso 0 dist 8.054 5.97096 8.88537 9.02961 6.00603 6.29388 numMergedOcc 0
28 mol 122 unq 1 iso 0 dist 8.054 4.4646 9.23819 9.02961 6.00603 9.83972 numMergedOcc 0
29 mol 129 unq 0 iso 0 dist 6.47346 10.8332 9.36851 4.0844 5.58833 9.30433 numMergedOcc 0
30 mol 129 unq 1 iso 0 dist 6.47346 5.75407 4.97175 4.0844 5.58833 4.28744 numMergedOcc 0
31 mol 133 unq 0 iso 0 dist 8.29673 5.42142 7.71248 10.2739 8.26547 8.88402 numMergedOcc 0
32 mol 204 unq 0 iso 0 dist 6.20646 11.1093 9.68728 6.05253 7.9133 14.0756 numMergedOcc 0
33 mol 204 unq 1 iso 0 dist 6.73266 5.39256 9.68728 13.3588 7.9133 14.0756 numMergedOcc 0
34 mol 213 unq 0 iso 0 dist 7.22234 6.51731 7.37798 12.4111 8.21793 8.75651 numMergedOcc 0
35 mol 213 unq 1 iso 0 dist 7.22234 12.2528 7.73322 12.4111 8.21793 8.99471 numMergedOcc 0
36 mol 213 unq 2 iso 0 dist 5.86501 4.40169 7.37798 6.09933 8.21793 8.75651 numMergedOcc 0
37 mol 213 unq 3 iso 0 dist 5.86501 9.42696 7.73322 6.09933 8.21793 8.99471 numMergedOcc 0
38 mol 213 unq 4 iso 0 dist 8.48081 12.2528 8.14332 12.2429 8.22569 6.60887 numMergedOcc 0
39 mol 243 unq 0 iso 0 dist 8.69557 6.86882 8.76935 4.02386 7.10671 3.85188 numMergedOcc 0
40 mol 243 unq 1 iso 0 dist 8.69557 6.86882 8.76935 8.36019 8.67156 4.21383 numMergedOcc 0
41 mol 243 unq 2 iso 0 dist 8.69557 10.1903 8.47652 4.02386 7.10671 6.25256 numMergedOcc 0
42 mol 243 unq 3 iso 0 dist 8.69557 10.1903 8.47652 8.36019 8.67156 6.94795 numMergedOcc 0
43 mol 243 unq 4 iso 0 dist 4.89168 5.73931 8.76935 6.41173 7.10671 3.85188 numMergedOcc 0
44 mol 243 unq 5 iso 0 dist 4.89168 5.73931 8.76935 5.7044 8.67156 4.21383 numMergedOcc 0
45 mol 243 unq 6 iso 0 dist 4.89168 4.41191 8.47652 6.41173 7.10671 6.25256 numMergedOcc 0
46 mol 243 unq 7 iso 0 dist 4.89168 4.41191 8.47652 5.7044 8.67156 6.94795 numMergedOcc 0
47 mol 284 unq 0 iso 0 dist 9.12551 9.83671 6.78191 3.97057 5.83329 8.8835 numMergedOcc 0
48 mol 292 unq 0 iso 0 dist 7.11081 5.67549 8.87028 5.04876 9.46442 6.00981 numMergedOcc 0
49 mol 292 unq 1 iso 0 dist 7.11081 5.67549 8.87028 5.37135 7.30758 4.09485 numMergedOcc 0
50 mol 292 unq 2 iso 0 dist 7.11081 5.67549 8.87028 7.24839 9.5785 7.31215 numMergedOcc 0
51 mol 292 unq 3 iso 0 dist 7.11081 5.67549 8.87028 8.58496 9.76319 12.3226 numMergedOcc 0
52 mol 292 unq 4 iso 0 dist 8.99442 8.70711 7.83341 6.17318 9.9182 13.4805 numMergedOcc 0
53 mol 292 unq 5 iso 0 dist 8.99442 8.70711 7.83341 4.77323 8.9221 8.14131 numMergedOcc 0
