0 mol 0 unq 0 iso 0 dist 6.19218 6.82018 7.19397 5.25456 7.19621 7.1599 numMergedOcc 0
1 mol 0 unq 0 iso 1 dist 7.19397 6.82018 6.19218 7.1599 7.19621 5.25456 numMergedOcc 0
2 mol 2 unq 0 iso 0 dist 9.08872 11.6166 7.37296 9.97525 9.58976 11.2776 numMergedOcc 0
3 mol 2 unq 0 iso 1 dist 7.37296 11.6166 9.08872 11.2776 9.58976 9.97525 numMergedOcc 0
4 mol 2 unq 1 iso 0 dist 9.08872 11.6166 7.37296 3.9935 9.57645 11.0228 numMergedOcc 0
5 mol 2 unq 1 iso 1 dist 7.37296 11.6166 9.08872 11.0228 9.57645 3.9935 numMergedOcc 0
6 mol 7 unq 0 iso 0 dist 9.67498 17.0748 9.32945 15.0231 9.85726 17.302 numMergedOcc 0
7 mol 7 unq 0 iso 1 dist 9.32945 17.0748 9.67498 17.302 9.85726 15.0231 numMergedOcc 0
8 mol 19 unq 0 iso 0 dist 9.50382 8.6541 8.76559 11.8354 9.69454 5.67097 numMergedOcc 0
9 mol 19 unq 0 iso 1 dist 8.76559 8.6541 9.50382 5.67097 9.69454 11.8354 numMergedOcc 0
10 mol 54 unq 0 iso 0 dist 6.79881 6.01538 9.89535 5.92411 5.94778 5.77755 numMergedOcc 0
11 mol 54 unq 0 iso 1 dist 9.89535 6.01538 6.79881 5.77755 5.94778 5.92411 numMergedOcc 0
12 mol 64 unq 0 iso 0 dist 7.8986 5.76037 7.24183 9.48441 6.6003 6.41829 numMergedOcc 0
13 mol 64 unq 0 iso 1 dist 7.24183 5.76037 7.8986 6.41829 6.6003 9.48441 numMergedOcc 0
14 mol 64 unq 1 iso 0 dist 7.8986 5.76037 7.24183 4.76091 6.44118 6.13923 numMergedOcc 0
15 mol 64 unq 1 iso 1 dist 7.24183 5.76037 7.8986 6.13923 6.44118 4.76091 numMergedOcc 0
16 mol 73 unq 0 iso 0 dist 8.60363 16.6115 9.27331 10.8067 9.72442 10.163 numMergedOcc 0
17 mol 73 unq 0 iso 1 dist 9.27331 16.6115 8.60363 10.163 9.72442 10.8067 numMergedOcc 0
18 mol 73 unq 1 iso 0 dist 8.60363 16.6115 9.27331 16.3515 9.02288 12.3394 numMergedOcc 0
19 mol 73 unq 1 iso 1 dist 9.27331 16.6115 8.60363 12.3394 9.02288 16.3515 numMergedOcc 0
20 mol 73 unq 2 iso 0 dist 5.92936 11.6681 8.4438 7.52996 9.28253 15.6609 numMergedOcc 0
21 mol 73 unq 2 iso 1 dist 8.4438 11.6681 5.92936 15.6609 9.28253 7.52996 numMergedOcc 0
22 mol 100 unq 0 iso 0 dist 7.11187 9.81157 6.60356 6.67262 6.78459 9.96864 numMergedOcc 0
23 mol 100 unq 0 iso 1 dist 6.60356 9.81157 7.11187 9.96864 6.78459 6.67262 numMergedOcc 0
24 mol 126 unq 0 iso 0 dist 7.25133 13.7598 9.33622 4.57807 7.11388 10.1683 numMergedOcc 0
25 mol 126 unq 0 iso 1 dist 9.33622 13.7598 7.25133 10.1683 7.11388 4.57807 numMergedOcc 0
26 mol 126 unq 1 iso 0 dist 7.25133 13.7598 9.33622 13.2652 8.83131 5.27125 numMergedOcc 0
27 mol 126 unq 1 iso 1 dist 9.33622 13.7598 7.25133 5.27125 8.83131 13.2652 numMergedOcc 0
28 mol 133 unq 0 iso 0 dist 7.96689 5.13345 9.6582 11.9436 9.48243 16.3678 numMergedOcc 0
29 mol 133 unq 0 iso 1 dist 9.6582 5.13345 7.96689 16.3678 9.48243 11.9436 numMergedOcc 0
30 mol 133 unq 1 iso 0 dist 9.07294 12.1681 7.50126 13.1243 8.84018 15.9524 numMergedOcc 0
31 mol 133 unq 1 iso 1 dist 7.50126 12.1681 9.07294 15.9524 8.84018 13.1243 numMergedOcc 0
32 mol 152 unq 0 iso 0 dist 5.59682 9.80549 7.71277 6.62991 8.89982 7.17016 numMergedOcc 0
33 mol 152 unq 0 iso 1 dist 7.71277 9.80549 5.59682 7.17016 8.89982 6.62991 numMergedOcc 0
34 mol 183 unq 0 iso 0 dist 6.21267 7.42362 7.41743 11.4393 7.31181 6.81609 numMergedOcc 0
35 mol 183 unq 0 iso 1 dist 7.41743 7.42362 6.21267 6.81609 7.31181 11.4393 numMergedOcc 0
36 mol 194 unq 0 iso 0 dist 5.69763 10.7204 8.82165 11.4562 9.48439 5.55582 numMergedOcc 0
37 mol 194 unq 0 iso 1 dist 8.82165 10.7204 5.69763 5.55582 9.48439 11.4562 numMergedOcc 0
38 mol 210 unq 0 iso 0 dist 6.24111 4.80965 9.00343 13.3929 9.67457 12.3088 numMergedOcc 0
39 mol 210 unq 0 iso 1 dist 9.00343 4.80965 6.24111 12.3088 9.67457 13.3929 numMergedOcc 0
40 mol 210 unq 1 iso 0 dist 6.24111 6.68286 6.41444 13.3929 9.67457 13.3774 numMergedOcc 0
41 mol 210 unq 1 iso 1 dist 6.41444 6.68286 6.24111 13.3774 9.67457 13.3929 numMergedOcc 0
42 mol 210 unq 1 iso 0 dist 9.00343 9.50065 6.41444 12.3088 9.67457 13.3774 numMergedOcc 0
43 mol 210 unq 1 iso 1 dist 6.41444 9.50065 9.00343 13.3774 9.67457 12.3088 numMergedOcc 0
44 mol 220 unq 0 iso 0 dist 9.17355 8.73567 8.5434 8.70715 8.48112 8.22716 numMergedOcc 0
45 mol 220 unq 0 iso 1 dist 8.5434 8.73567 9.17355 8.22716 8.48112 8.70715 numMergedOcc 0
46 mol 224 unq 0 iso 0 dist 7.47122 11.1434 6.6537 15.4433 9.75313 4.55824 numMergedOcc 0
47 mol 224 unq 0 iso 1 dist 6.6537 11.1434 7.47122 4.55824 9.75313 15.4433 numMergedOcc 0
48 mol 224 unq 1 iso 0 dist 5.97988 11.1019 9.08719 6.70321 6.08709 4.55824 numMergedOcc 0
49 mol 224 unq 1 iso 1 dist 9.08719 11.1019 5.97988 4.55824 6.08709 6.70321 numMergedOcc 0
50 mol 231 unq 0 iso 0 dist 7.28719 4.23678 6.60684 10.9863 7.79865 8.54452 numMergedOcc 0
51 mol 231 unq 0 iso 1 dist 6.60684 4.23678 7.28719 8.54452 7.79865 10.9863 numMergedOcc 0
52 mol 231 unq 1 iso 0 dist 7.28719 4.23678 6.60684 10.2117 6.14348 6.95128 numMergedOcc 0
53 mol 231 unq 1 iso 1 dist 6.60684 4.23678 7.28719 6.95128 6.14348 10.2117 numMergedOcc 0
54 mol 259 unq 0 iso 0 dist 8.73077 5.25969 6.76656 13.6207 6.77279 10.908 numMergedOcc 0
55 mol 259 unq 0 iso 1 dist 6.76656 5.25969 8.73077 10.908 6.77279 13.6207 numMergedOcc 0
56 mol 259 unq 1 iso 0 dist 8.73077 5.25969 6.76656 16.6797 9.58006 12.7595 numMergedOcc 0
57 mol 259 unq 1 iso 1 dist 6.76656 5.25969 8.73077 12.7595 9.58006 16.6797 numMergedOcc 0
58 mol 259 unq 2 iso 0 dist 9.45077 6.17736 4.55368 8.63445 7.93997 6.18571 numMergedOcc 0
59 mol 259 unq 2 iso 1 dist 4.55368 6.17736 9.45077 6.18571 7.93997 8.63445 numMergedOcc 0
60 mol 265 unq 0 iso 0 dist 9.56472 12.462 9.50814 15.3912 9.72927 6.35501 numMergedOcc 0
61 mol 265 unq 0 iso 1 dist 9.50814 12.462 9.56472 6.35501 9.72927 15.3912 numMergedOcc 0
62 mol 274 unq 0 iso 0 dist 9.07452 10.1431 6.44266 6.11218 7.80446 6.98398 numMergedOcc 0
63 mol 274 unq 0 iso 1 dist 6.44266 10.1431 9.07452 6.98398 7.80446 6.11218 numMergedOcc 0
64 mol 274 unq 1 iso 0 dist 9.07452 10.1431 6.44266 11.3921 9.86142 6.99898 numMergedOcc 0
65 mol 274 unq 1 iso 1 dist 6.44266 10.1431 9.07452 6.99898 9.86142 11.3921 numMergedOcc 0
66 mol 274 unq 2 iso 0 dist 7.21004 10.1431 8.75703 6.11218 9.91395 6.98398 numMergedOcc 0
67 mol 274 unq 2 iso 1 dist 8.75703 10.1431 7.21004 6.98398 9.91395 6.11218 numMergedOcc 0
