0 mol 15 unq 0 iso 0 dist 8.3794 4.96682 6.50647 10.0572 6.31608 8.47464 numMergedOcc 0
1 mol 17 unq 0 iso 0 dist 5.74567 9.90289 9.877 5.56803 5.16502 8.91991 numMergedOcc 0
2 mol 17 unq 1 iso 0 dist 5.74567 9.90289 9.877 11.6967 8.26398 9.59996 numMergedOcc 0
3 mol 18 unq 0 iso 0 dist 9.17529 10.3178 8.80193 4.42115 5.59658 9.4067 numMergedOcc 0
4 mol 18 unq 1 iso 0 dist 9.17529 10.3178 8.80193 7.84822 7.94376 9.14029 numMergedOcc 0
5 mol 48 unq 0 iso 0 dist 8.50475 9.78889 7.34031 6.25072 6.28603 7.13338 numMergedOcc 0
6 mol 48 unq 1 iso 0 dist 8.50475 9.78889 7.34031 3.72926 8.80303 8.64653 numMergedOcc 0
7 mol 48 unq 2 iso 0 dist 8.50475 9.78889 7.34031 8.48678 7.11491 4.28224 numMergedOcc 0
8 mol 48 unq 3 iso 0 dist 7.66163 5.52962 7.34031 6.64874 6.28603 7.13338 numMergedOcc 0
9 mol 48 unq 4 iso 0 dist 7.66163 5.52962 7.34031 5.68077 8.80303 8.64653 numMergedOcc 0
10 mol 48 unq 5 iso 0 dist 7.66163 5.52962 7.34031 3.85292 7.11491 4.28224 numMergedOcc 0
11 mol 48 unq 6 iso 0 dist 9.48288 10.1477 7.34031 10.6872 6.28603 7.13338 numMergedOcc 0
12 mol 48 unq 7 iso 0 dist 9.48288 10.1477 7.34031 9.24728 8.80303 8.64653 numMergedOcc 0
13 mol 48 unq 8 iso 0 dist 9.48288 10.1477 7.34031 6.44604 7.11491 4.28224 numMergedOcc 0
14 mol 48 unq 9 iso 0 dist 7.1796 5.20585 7.281 6.42565 5.73454 7.08546 numMergedOcc 0
15 mol 48 unq 10 iso 0 dist 7.1796 5.20585 7.281 5.7824 8.2012 8.61607 numMergedOcc 0
16 mol 48 unq 11 iso 0 dist 7.1796 5.20585 7.281 3.72746 7.1829 4.12075 numMergedOcc 0
17 mol 48 unq 12 iso 0 dist 9.16212 9.98618 7.281 10.5404 5.73454 7.08546 numMergedOcc 0
18 mol 48 unq 13 iso 0 dist 9.16212 9.98618 7.281 9.35478 8.2012 8.61607 numMergedOcc 0
19 mol 48 unq 14 iso 0 dist 9.16212 9.98618 7.281 6.4561 7.1829 4.12075 numMergedOcc 0
20 mol 79 unq 0 iso 0 dist 9.76351 14.7309 9.63599 4.15002 7.56495 12.7451 numMergedOcc 0
21 mol 79 unq 1 iso 0 dist 9.76351 14.7309 9.63599 9.36535 7.63923 13.0682 numMergedOcc 0
22 mol 79 unq 2 iso 0 dist 9.76351 14.7309 9.63599 9.33609 8.23095 6.2688 numMergedOcc 0
23 mol 79 unq 3 iso 0 dist 9.76351 11.7335 8.01743 4.15002 7.56495 7.82927 numMergedOcc 0
24 mol 79 unq 4 iso 0 dist 9.76351 11.7335 8.01743 9.36535 7.63923 5.01567 numMergedOcc 0
25 mol 79 unq 5 iso 0 dist 9.76351 11.7335 8.01743 9.33609 8.23095 6.34664 numMergedOcc 0
26 mol 128 unq 0 iso 0 dist 8.73383 5.53962 6.98158 11.2088 7.4442 10.624 numMergedOcc 0
27 mol 141 unq 0 iso 0 dist 8.81111 15.0866 7.31037 15.2238 8.40695 8.16657 numMergedOcc 0
28 mol 141 unq 1 iso 0 dist 8.81111 15.0866 7.31037 12.6506 9.35867 11.0792 numMergedOcc 0
29 mol 146 unq 0 iso 0 dist 6.47434 5.03111 6.50043 7.73553 6.73137 6.19717 numMergedOcc 0
30 mol 158 unq 0 iso 0 dist 6.69487 6.66039 9.6096 3.91702 4.6512 5.30823 numMergedOcc 0
31 mol 168 unq 0 iso 0 dist 5.24076 7.08042 7.60254 3.60864 6.12453 7.8982 numMergedOcc 0
32 mol 168 unq 1 iso 0 dist 5.24076 7.08042 7.60254 7.08284 9.87447 6.7031 numMergedOcc 0
33 mol 214 unq 0 iso 0 dist 5.82124 10.1922 7.69296 6.3474 5.05626 3.92649 numMergedOcc 0
34 mol 214 unq 1 iso 0 dist 5.82124 10.1922 7.69296 10.6456 8.41013 11.4548 numMergedOcc 0
35 mol 214 unq 2 iso 0 dist 8.31236 11.0815 7.69296 8.44414 5.05626 3.92649 numMergedOcc 0
36 mol 214 unq 3 iso 0 dist 8.31236 11.0815 7.69296 7.47595 8.41013 11.4548 numMergedOcc 0
37 mol 250 unq 0 iso 0 dist 5.92578 4.82553 6.28538 7.35853 9.25035 3.70231 numMergedOcc 0
38 mol 266 unq 0 iso 0 dist 9.34312 11.7017 9.71152 16.7215 7.63543 11.7541 numMergedOcc 0
39 mol 266 unq 1 iso 0 dist 7.53905 8.46837 9.71152 3.90822 7.63543 11.7541 numMergedOcc 0
40 mol 273 unq 0 iso 0 dist 9.16554 8.67797 8.68913 12.6217 9.81919 9.83412 numMergedOcc 0
41 mol 273 unq 1 iso 0 dist 9.65597 17.2732 8.68913 14.5301 9.81919 9.83412 numMergedOcc 0
42 mol 292 unq 0 iso 0 dist 9.5144 13.074 5.7131 9.43183 9.373 11.1017 numMergedOcc 0
