0 mol 24 unq 0 iso 0 dist 8.70141 4.36056 9.58012 8.6586 4.21283 8.56274 numMergedOcc 0
1 mol 28 unq 0 iso 0 dist 9.00593 8.57321 5.63315 12.4501 5.51163 7.66985 numMergedOcc 0
2 mol 28 unq 1 iso 0 dist 9.00593 8.57321 5.63315 14.7191 6.37119 9.17482 numMergedOcc 0
3 mol 90 unq 0 iso 0 dist 9.99316 13.6843 8.83296 14.9359 5.30747 9.08732 numMergedOcc 0
4 mol 93 unq 0 iso 0 dist 8.42713 8.02579 5.51624 6.13459 5.99863 9.30843 numMergedOcc 0
5 mol 93 unq 1 iso 0 dist 8.42713 12.3147 7.8674 6.13459 5.99863 6.25522 numMergedOcc 0
6 mol 93 unq 2 iso 0 dist 8.42713 12.3147 7.8674 7.54391 6.15015 7.87145 numMergedOcc 0
7 mol 93 unq 3 iso 0 dist 8.42713 12.3147 7.8674 11.8972 10.9803 9.30914 numMergedOcc 0
8 mol 93 unq 4 iso 0 dist 8.21032 12.1011 5.51624 12.7932 5.99863 9.30843 numMergedOcc 0
9 mol 93 unq 5 iso 0 dist 8.21032 9.97789 7.8674 12.7932 5.99863 6.25522 numMergedOcc 0
10 mol 93 unq 6 iso 0 dist 8.21032 9.97789 7.8674 11.756 6.15015 7.87145 numMergedOcc 0
11 mol 93 unq 7 iso 0 dist 8.21032 9.97789 7.8674 14.2505 10.9803 9.30914 numMergedOcc 0
12 mol 109 unq 0 iso 0 dist 7.49224 11.6623 9.92553 11.2493 9.65072 9.67274 numMergedOcc 0
13 mol 162 unq 0 iso 0 dist 8.48559 5.61836 8.53374 9.067 5.21512 5.97934 numMergedOcc 0
14 mol 163 unq 0 iso 0 dist 9.3832 16.5085 7.3546 10.9982 6.08019 9.40912 numMergedOcc 0
15 mol 163 unq 1 iso 0 dist 6.0247 6.56076 7.3546 11.461 6.08019 9.40912 numMergedOcc 0
16 mol 163 unq 2 iso 0 dist 6.40873 9.55758 7.3546 11.4568 6.08019 9.40912 numMergedOcc 0
17 mol 163 unq 3 iso 0 dist 5.80513 3.64474 7.3546 10.5835 14.9976 7.69757 numMergedOcc 0
18 mol 175 unq 0 iso 0 dist 8.4673 6.61278 7.32419 11.389 6.41193 7.6741 numMergedOcc 0
19 mol 194 unq 0 iso 0 dist 7.47107 11.4288 5.52678 15.1012 7.82899 5.13892 numMergedOcc 0
20 mol 194 unq 1 iso 0 dist 7.47107 11.4288 5.52678 16.5446 10.0237 5.78717 numMergedOcc 0
21 mol 194 unq 2 iso 0 dist 7.47107 15.4624 9.81666 15.1012 7.82899 8.2232 numMergedOcc 0
22 mol 218 unq 0 iso 0 dist 5.72444 5.77167 8.93185 11.0189 9.11917 8.98941 numMergedOcc 0
23 mol 218 unq 1 iso 0 dist 5.72444 5.77167 8.93185 10.828 10.6889 6.45381 numMergedOcc 0
24 mol 218 unq 2 iso 0 dist 5.72444 7.54799 8.22792 11.0189 9.11917 5.4621 numMergedOcc 0
25 mol 218 unq 3 iso 0 dist 5.72444 7.54799 8.22792 10.828 10.6889 8.91819 numMergedOcc 0
26 mol 237 unq 0 iso 0 dist 8.06435 6.68355 7.63812 14.486 13.4452 8.96803 numMergedOcc 0
27 mol 237 unq 1 iso 0 dist 8.06435 6.68355 7.63812 9.33231 8.49326 7.95072 numMergedOcc 0
28 mol 237 unq 2 iso 0 dist 9.74081 12.7987 9.84466 16.5998 8.0982 9.61703 numMergedOcc 0
29 mol 250 unq 0 iso 0 dist 9.43554 15.3306 9.60364 14.8822 6.28121 8.62514 numMergedOcc 0
30 mol 250 unq 1 iso 0 dist 9.21681 14.1113 9.60364 10.4571 6.28121 8.62514 numMergedOcc 0
31 mol 286 unq 0 iso 0 dist 7.3415 7.28845 5.91064 8.14957 7.62289 7.43339 numMergedOcc 0
