0 mol 9 unq 0 iso 0 dist 6.8848 7.48843 8.59513 4.07023 6.59312 5.47 numMergedOcc 0
1 mol 9 unq 0 iso 1 dist 6.8848 4.07023 6.59312 7.48843 8.59513 5.47 numMergedOcc 0
2 mol 17 unq 0 iso 0 dist 5.74567 5.56803 5.16502 11.6967 8.26398 6.66983 numMergedOcc 0
3 mol 17 unq 0 iso 1 dist 5.74567 11.6967 8.26398 5.56803 5.16502 6.66983 numMergedOcc 0
4 mol 18 unq 0 iso 0 dist 9.17529 4.42115 5.59658 7.84822 7.94376 4.97344 numMergedOcc 0
5 mol 18 unq 0 iso 1 dist 9.17529 7.84822 7.94376 4.42115 5.59658 4.97344 numMergedOcc 0
6 mol 48 unq 0 iso 0 dist 8.50475 6.25072 6.28603 3.72926 8.80303 3.86264 numMergedOcc 0
7 mol 48 unq 0 iso 1 dist 8.50475 3.72926 8.80303 6.25072 6.28603 3.86264 numMergedOcc 0
8 mol 48 unq 1 iso 0 dist 8.50475 6.25072 6.28603 8.48678 7.11491 8.66712 numMergedOcc 0
9 mol 48 unq 1 iso 1 dist 8.50475 8.48678 7.11491 6.25072 6.28603 8.66712 numMergedOcc 0
10 mol 48 unq 1 iso 0 dist 8.50475 3.72926 8.80303 8.48678 7.11491 9.07711 numMergedOcc 0
11 mol 48 unq 1 iso 1 dist 8.50475 8.48678 7.11491 3.72926 8.80303 9.07711 numMergedOcc 0
12 mol 48 unq 2 iso 0 dist 7.66163 6.64874 6.28603 5.68077 8.80303 3.86264 numMergedOcc 0
13 mol 48 unq 2 iso 1 dist 7.66163 5.68077 8.80303 6.64874 6.28603 3.86264 numMergedOcc 0
14 mol 48 unq 3 iso 0 dist 7.66163 6.64874 6.28603 3.85292 7.11491 8.66712 numMergedOcc 0
15 mol 48 unq 3 iso 1 dist 7.66163 3.85292 7.11491 6.64874 6.28603 8.66712 numMergedOcc 0
16 mol 48 unq 3 iso 0 dist 7.66163 5.68077 8.80303 3.85292 7.11491 9.07711 numMergedOcc 0
17 mol 48 unq 3 iso 1 dist 7.66163 3.85292 7.11491 5.68077 8.80303 9.07711 numMergedOcc 0
18 mol 48 unq 4 iso 0 dist 9.48288 10.6872 6.28603 9.24728 8.80303 3.86264 numMergedOcc 0
19 mol 48 unq 4 iso 1 dist 9.48288 9.24728 8.80303 10.6872 6.28603 3.86264 numMergedOcc 0
20 mol 48 unq 5 iso 0 dist 9.48288 10.6872 6.28603 6.44604 7.11491 8.66712 numMergedOcc 0
21 mol 48 unq 5 iso 1 dist 9.48288 6.44604 7.11491 10.6872 6.28603 8.66712 numMergedOcc 0
22 mol 48 unq 5 iso 0 dist 9.48288 9.24728 8.80303 6.44604 7.11491 9.07711 numMergedOcc 0
23 mol 48 unq 5 iso 1 dist 9.48288 6.44604 7.11491 9.24728 8.80303 9.07711 numMergedOcc 0
24 mol 48 unq 6 iso 0 dist 7.1796 6.42565 5.73454 5.7824 8.2012 3.69391 numMergedOcc 0
25 mol 48 unq 6 iso 1 dist 7.1796 5.7824 8.2012 6.42565 5.73454 3.69391 numMergedOcc 0
26 mol 48 unq 7 iso 0 dist 7.1796 6.42565 5.73454 3.72746 7.1829 8.61401 numMergedOcc 0
27 mol 48 unq 7 iso 1 dist 7.1796 3.72746 7.1829 6.42565 5.73454 8.61401 numMergedOcc 0
28 mol 48 unq 7 iso 0 dist 7.1796 5.7824 8.2012 3.72746 7.1829 9.16142 numMergedOcc 0
29 mol 48 unq 7 iso 1 dist 7.1796 3.72746 7.1829 5.7824 8.2012 9.16142 numMergedOcc 0
30 mol 48 unq 8 iso 0 dist 9.16212 10.5404 5.73454 9.35478 8.2012 3.69391 numMergedOcc 0
31 mol 48 unq 8 iso 1 dist 9.16212 9.35478 8.2012 10.5404 5.73454 3.69391 numMergedOcc 0
32 mol 48 unq 9 iso 0 dist 9.16212 10.5404 5.73454 6.4561 7.1829 8.61401 numMergedOcc 0
33 mol 48 unq 9 iso 1 dist 9.16212 6.4561 7.1829 10.5404 5.73454 8.61401 numMergedOcc 0
34 mol 48 unq 9 iso 0 dist 9.16212 9.35478 8.2012 6.4561 7.1829 9.16142 numMergedOcc 0
35 mol 48 unq 9 iso 1 dist 9.16212 6.4561 7.1829 9.35478 8.2012 9.16142 numMergedOcc 0
36 mol 79 unq 0 iso 0 dist 9.76351 4.15002 7.56495 9.36535 7.63923 5.30569 numMergedOcc 0
37 mol 79 unq 0 iso 1 dist 9.76351 9.36535 7.63923 4.15002 7.56495 5.30569 numMergedOcc 0
38 mol 79 unq 1 iso 0 dist 9.76351 4.15002 7.56495 9.33609 8.23095 7.28768 numMergedOcc 0
39 mol 79 unq 1 iso 1 dist 9.76351 9.33609 8.23095 4.15002 7.56495 7.28768 numMergedOcc 0
40 mol 79 unq 1 iso 0 dist 9.76351 9.36535 7.63923 9.33609 8.23095 8.91283 numMergedOcc 0
41 mol 79 unq 1 iso 1 dist 9.76351 9.33609 8.23095 9.36535 7.63923 8.91283 numMergedOcc 0
42 mol 141 unq 0 iso 0 dist 8.81111 15.2238 8.40695 12.6506 9.35867 5.71798 numMergedOcc 0
43 mol 141 unq 0 iso 1 dist 8.81111 12.6506 9.35867 15.2238 8.40695 5.71798 numMergedOcc 0
44 mol 141 unq 1 iso 0 dist 9.05844 13.4181 6.90583 6.84162 6.75593 10.7858 numMergedOcc 0
45 mol 141 unq 1 iso 1 dist 9.05844 6.84162 6.75593 13.4181 6.90583 10.7858 numMergedOcc 0
46 mol 141 unq 2 iso 0 dist 9.05844 13.4181 6.90583 7.84677 8.83562 13.6003 numMergedOcc 0
47 mol 141 unq 2 iso 1 dist 9.05844 7.84677 8.83562 13.4181 6.90583 13.6003 numMergedOcc 0
48 mol 141 unq 2 iso 0 dist 9.05844 6.84162 6.75593 7.84677 8.83562 3.02458 numMergedOcc 0
49 mol 141 unq 2 iso 1 dist 9.05844 7.84677 8.83562 6.84162 6.75593 3.02458 numMergedOcc 0
50 mol 168 unq 0 iso 0 dist 5.24076 3.60864 6.12453 7.08284 9.87447 5.29906 numMergedOcc 0
51 mol 168 unq 0 iso 1 dist 5.24076 7.08284 9.87447 3.60864 6.12453 5.29906 numMergedOcc 0
52 mol 169 unq 0 iso 0 dist 5.82321 10.1931 7.85698 9.3331 8.75484 16.4124 numMergedOcc 0
53 mol 169 unq 0 iso 1 dist 5.82321 9.3331 8.75484 10.1931 7.85698 16.4124 numMergedOcc 0
54 mol 214 unq 0 iso 0 dist 5.82124 6.3474 5.05626 10.6456 8.41013 10.5332 numMergedOcc 0
55 mol 214 unq 0 iso 1 dist 5.82124 10.6456 8.41013 6.3474 5.05626 10.5332 numMergedOcc 0
56 mol 214 unq 1 iso 0 dist 8.31236 8.44414 5.05626 7.47595 8.41013 10.5332 numMergedOcc 0
57 mol 214 unq 1 iso 1 dist 8.31236 7.47595 8.41013 8.44414 5.05626 10.5332 numMergedOcc 0
58 mol 275 unq 0 iso 0 dist 7.01071 3.87632 5.74353 7.82789 9.68834 5.72232 numMergedOcc 0
59 mol 275 unq 0 iso 1 dist 7.01071 7.82789 9.68834 3.87632 5.74353 5.72232 numMergedOcc 0
60 mol 279 unq 0 iso 0 dist 8.07169 4.39961 8.25623 9.37282 8.77098 10.472 numMergedOcc 0
61 mol 279 unq 0 iso 1 dist 8.07169 9.37282 8.77098 4.39961 8.25623 10.472 numMergedOcc 0
62 mol 279 unq 1 iso 0 dist 8.07169 4.39961 8.25623 11.6742 9.78784 9.07772 numMergedOcc 0
63 mol 279 unq 1 iso 1 dist 8.07169 11.6742 9.78784 4.39961 8.25623 9.07772 numMergedOcc 0
64 mol 279 unq 1 iso 0 dist 8.07169 9.37282 8.77098 11.6742 9.78784 8.70414 numMergedOcc 0
65 mol 279 unq 1 iso 1 dist 8.07169 11.6742 9.78784 9.37282 8.77098 8.70414 numMergedOcc 0
