0 mol 24 unq 0 iso 0 dist 8.83657 6.50335 8.69288 10.0354 7.77964 4.4275 numMergedOcc 0
1 mol 24 unq 0 iso 1 dist 8.83657 10.0354 7.77964 6.50335 8.69288 4.4275 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 6.74914 3.79072 8.69288 6.08283 7.77964 4.4275 numMergedOcc 0
3 mol 24 unq 1 iso 1 dist 6.74914 6.08283 7.77964 3.79072 8.69288 4.4275 numMergedOcc 0
4 mol 34 unq 0 iso 0 dist 5.51172 4.71262 7.01952 4.28439 4.58552 3.39994 numMergedOcc 0
5 mol 34 unq 0 iso 1 dist 5.51172 4.28439 4.58552 4.71262 7.01952 3.39994 numMergedOcc 0
6 mol 66 unq 0 iso 0 dist 6.32532 7.28551 9.6145 3.96299 8.32859 3.70876 numMergedOcc 0
7 mol 66 unq 0 iso 1 dist 6.32532 3.96299 8.32859 7.28551 9.6145 3.70876 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 6.22872 14.4394 8.46627 15.3565 9.22208 5.30471 numMergedOcc 0
9 mol 73 unq 0 iso 1 dist 6.22872 15.3565 9.22208 14.4394 8.46627 5.30471 numMergedOcc 0
10 mol 95 unq 0 iso 0 dist 5.82551 9.97278 8.75345 13.7509 9.79643 17.5596 numMergedOcc 0
11 mol 95 unq 0 iso 1 dist 5.82551 13.7509 9.79643 9.97278 8.75345 17.5596 numMergedOcc 0
12 mol 157 unq 0 iso 0 dist 8.51753 6.17631 8.40821 3.80096 9.86925 5.28985 numMergedOcc 0
13 mol 157 unq 0 iso 1 dist 8.51753 3.80096 9.86925 6.17631 8.40821 5.28985 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 5.00402 5.7782 8.36129 5.44287 5.86483 3.53902 numMergedOcc 0
15 mol 186 unq 0 iso 1 dist 5.00402 5.44287 5.86483 5.7782 8.36129 3.53902 numMergedOcc 0
16 mol 206 unq 0 iso 0 dist 9.7713 4.05534 9.95026 5.22561 9.09594 3.96868 numMergedOcc 0
17 mol 206 unq 0 iso 1 dist 9.7713 5.22561 9.09594 4.05534 9.95026 3.96868 numMergedOcc 0
18 mol 222 unq 0 iso 0 dist 6.6497 5.03056 6.84052 3.91348 9.58086 6.00634 numMergedOcc 0
19 mol 222 unq 0 iso 1 dist 6.6497 3.91348 9.58086 5.03056 6.84052 6.00634 numMergedOcc 0
20 mol 235 unq 0 iso 0 dist 9.42801 12.6737 6.03081 8.47779 7.41433 5.73785 numMergedOcc 0
21 mol 235 unq 0 iso 1 dist 9.42801 8.47779 7.41433 12.6737 6.03081 5.73785 numMergedOcc 0
22 mol 235 unq 1 iso 0 dist 6.15704 9.92254 6.03081 5.66713 5.1874 4.8835 numMergedOcc 0
23 mol 235 unq 1 iso 1 dist 6.15704 5.66713 5.1874 9.92254 6.03081 4.8835 numMergedOcc 0
24 mol 243 unq 0 iso 0 dist 8.8602 3.98086 8.30024 4.02386 8.20943 6.27924 numMergedOcc 0
25 mol 243 unq 0 iso 1 dist 8.8602 4.02386 8.20943 3.98086 8.30024 6.27924 numMergedOcc 0
26 mol 243 unq 1 iso 0 dist 7.13476 4.03312 8.30024 9.0802 8.20943 6.27924 numMergedOcc 0
27 mol 243 unq 1 iso 1 dist 7.13476 9.0802 8.20943 4.03312 8.30024 6.27924 numMergedOcc 0
28 mol 243 unq 2 iso 0 dist 9.49016 12.1329 8.30024 6.41173 8.20943 6.27924 numMergedOcc 0
29 mol 243 unq 2 iso 1 dist 9.49016 6.41173 8.20943 12.1329 8.30024 6.27924 numMergedOcc 0
30 mol 264 unq 0 iso 0 dist 6.66615 10.1533 9.78237 9.72258 9.70101 8.39725 numMergedOcc 0
31 mol 264 unq 0 iso 1 dist 6.66615 9.72258 9.70101 10.1533 9.78237 8.39725 numMergedOcc 0
32 mol 264 unq 1 iso 0 dist 6.66615 10.1533 9.78237 12.1475 9.95798 5.23295 numMergedOcc 0
33 mol 264 unq 1 iso 1 dist 6.66615 12.1475 9.95798 10.1533 9.78237 5.23295 numMergedOcc 0
34 mol 264 unq 1 iso 0 dist 6.66615 9.72258 9.70101 12.1475 9.95798 6.00586 numMergedOcc 0
35 mol 264 unq 1 iso 1 dist 6.66615 12.1475 9.95798 9.72258 9.70101 6.00586 numMergedOcc 0
36 mol 279 unq 0 iso 0 dist 8.22717 4.30046 5.02349 5.29396 9.19322 8.02622 numMergedOcc 0
37 mol 279 unq 0 iso 1 dist 8.22717 5.29396 9.19322 4.30046 5.02349 8.02622 numMergedOcc 0
38 mol 279 unq 1 iso 0 dist 8.43409 8.90689 5.02349 5.61454 9.19322 8.02622 numMergedOcc 0
39 mol 279 unq 1 iso 1 dist 8.43409 5.61454 9.19322 8.90689 5.02349 8.02622 numMergedOcc 0
40 mol 292 unq 0 iso 0 dist 9.65996 6.49965 6.22943 12.2613 9.31056 5.99377 numMergedOcc 0
41 mol 292 unq 0 iso 1 dist 9.65996 12.2613 9.31056 6.49965 6.22943 5.99377 numMergedOcc 0
