0 mol 36 unq 0 iso 0 dist 7.34019 8.43828 9.18814 6.1084 4.24251 9.98403 numMergedOcc 0
1 mol 36 unq 0 iso 1 dist 8.43828 7.34019 9.18814 6.1084 9.98403 4.24251 numMergedOcc 0
2 mol 46 unq 0 iso 0 dist 9.31319 8.2513 7.32297 9.72136 13.1434 14.5035 numMergedOcc 0
3 mol 46 unq 0 iso 1 dist 8.2513 9.31319 7.32297 9.72136 14.5035 13.1434 numMergedOcc 0
4 mol 46 unq 1 iso 0 dist 9.31319 8.2513 7.32297 4.61355 10.9054 12.3186 numMergedOcc 0
5 mol 46 unq 1 iso 1 dist 8.2513 9.31319 7.32297 4.61355 12.3186 10.9054 numMergedOcc 0
6 mol 59 unq 0 iso 0 dist 8.97292 6.85083 9.49235 8.58849 11.3575 6.64449 numMergedOcc 0
7 mol 59 unq 0 iso 1 dist 6.85083 8.97292 9.49235 8.58849 6.64449 11.3575 numMergedOcc 0
8 mol 59 unq 1 iso 0 dist 8.97292 6.85083 9.49235 5.73075 13.6023 7.31539 numMergedOcc 0
9 mol 59 unq 1 iso 1 dist 6.85083 8.97292 9.49235 5.73075 7.31539 13.6023 numMergedOcc 0
10 mol 70 unq 0 iso 0 dist 7.95122 9.74268 5.22626 8.55467 8.70781 13.4238 numMergedOcc 0
11 mol 70 unq 0 iso 1 dist 9.74268 7.95122 5.22626 8.55467 13.4238 8.70781 numMergedOcc 0
12 mol 89 unq 0 iso 0 dist 9.51842 8.25651 10.4087 6.00509 10.4274 6.13636 numMergedOcc 0
13 mol 89 unq 0 iso 1 dist 8.25651 9.51842 10.4087 6.00509 6.13636 10.4274 numMergedOcc 0
14 mol 94 unq 0 iso 0 dist 9.24996 8.37473 8.97208 9.02053 9.55908 3.97543 numMergedOcc 0
15 mol 94 unq 0 iso 1 dist 8.37473 9.24996 8.97208 9.02053 3.97543 9.55908 numMergedOcc 0
16 mol 122 unq 0 iso 0 dist 7.43775 8.09594 5.6661 5.42764 4.0204 3.90443 numMergedOcc 0
17 mol 122 unq 0 iso 1 dist 8.09594 7.43775 5.6661 5.42764 3.90443 4.0204 numMergedOcc 0
18 mol 148 unq 0 iso 0 dist 9.7168 7.38138 8.05787 9.8506 15.239 8.68046 numMergedOcc 0
19 mol 148 unq 0 iso 1 dist 7.38138 9.7168 8.05787 9.8506 8.68046 15.239 numMergedOcc 0
20 mol 150 unq 0 iso 0 dist 9.61132 7.34423 8.10457 9.91991 15.2388 8.55576 numMergedOcc 0
21 mol 150 unq 0 iso 1 dist 7.34423 9.61132 8.10457 9.91991 8.55576 15.2388 numMergedOcc 0
22 mol 213 unq 0 iso 0 dist 9.40939 9.06306 11.2306 7.31478 11.7829 4.72944 numMergedOcc 0
23 mol 213 unq 0 iso 1 dist 9.06306 9.40939 11.2306 7.31478 4.72944 11.7829 numMergedOcc 0
24 mol 218 unq 0 iso 0 dist 5.52981 6.22077 7.83217 5.92364 6.04002 6.45316 numMergedOcc 0
25 mol 218 unq 0 iso 1 dist 6.22077 5.52981 7.83217 5.92364 6.45316 6.04002 numMergedOcc 0
26 mol 238 unq 0 iso 0 dist 9.29203 7.62771 5.40359 9.97859 16.7443 13.1408 numMergedOcc 0
27 mol 238 unq 0 iso 1 dist 7.62771 9.29203 5.40359 9.97859 13.1408 16.7443 numMergedOcc 0
28 mol 238 unq 1 iso 0 dist 9.29203 7.80166 10.0191 9.97859 16.7443 10.4706 numMergedOcc 0
29 mol 238 unq 1 iso 1 dist 7.80166 9.29203 10.0191 9.97859 10.4706 16.7443 numMergedOcc 0
30 mol 238 unq 1 iso 0 dist 7.62771 7.80166 10.1648 9.97859 13.1408 10.4706 numMergedOcc 0
31 mol 238 unq 1 iso 1 dist 7.80166 7.62771 10.1648 9.97859 10.4706 13.1408 numMergedOcc 0
32 mol 259 unq 0 iso 0 dist 6.49599 9.34738 4.86771 7.8428 9.99423 8.95813 numMergedOcc 0
33 mol 259 unq 0 iso 1 dist 9.34738 6.49599 4.86771 7.8428 8.95813 9.99423 numMergedOcc 0
34 mol 259 unq 1 iso 0 dist 6.49599 9.47382 6.96053 7.8428 9.99423 8.81358 numMergedOcc 0
35 mol 259 unq 1 iso 1 dist 9.47382 6.49599 6.96053 7.8428 8.81358 9.99423 numMergedOcc 0
36 mol 259 unq 1 iso 0 dist 9.34738 9.47382 7.64658 7.8428 8.95813 8.81358 numMergedOcc 0
37 mol 259 unq 1 iso 1 dist 9.47382 9.34738 7.64658 7.8428 8.81358 8.95813 numMergedOcc 0
38 mol 282 unq 0 iso 0 dist 7.70229 7.90792 4.66602 9.07173 8.58259 5.29852 numMergedOcc 0
39 mol 282 unq 0 iso 1 dist 7.90792 7.70229 4.66602 9.07173 5.29852 8.58259 numMergedOcc 0
40 mol 284 unq 0 iso 0 dist 9.27402 9.26573 5.87439 7.21255 10.6409 6.25608 numMergedOcc 0
41 mol 284 unq 0 iso 1 dist 9.26573 9.27402 5.87439 7.21255 6.25608 10.6409 numMergedOcc 0
