0 mol 30 unq 0 iso 0 dist 6.30807 9.83449 12.0998 11.2046 7.2159 15.6641 numMergedOcc 0
1 mol 30 unq 1 iso 0 dist 6.30807 9.83449 12.0998 8.40606 8.93093 17.3102 numMergedOcc 0
2 mol 38 unq 0 iso 0 dist 9.49676 6.12374 5.96514 10.8777 9.68539 12.7543 numMergedOcc 0
3 mol 62 unq 0 iso 0 dist 5.78968 9.51893 5.56988 4.72428 9.3913 10.9112 numMergedOcc 0
4 mol 62 unq 1 iso 0 dist 5.78968 8.47221 3.71033 4.72428 9.3913 11.2315 numMergedOcc 0
5 mol 67 unq 0 iso 0 dist 5.16558 6.89527 3.77705 5.23343 6.23298 9.06101 numMergedOcc 0
6 mol 67 unq 1 iso 0 dist 9.62459 6.89527 7.64337 5.23343 9.85405 9.06101 numMergedOcc 0
7 mol 79 unq 0 iso 0 dist 9.04935 8.52697 10.0025 13.9849 8.71103 16.3634 numMergedOcc 0
8 mol 79 unq 1 iso 0 dist 9.04935 9.66612 10.8249 13.9849 8.71103 18.4964 numMergedOcc 0
9 mol 91 unq 0 iso 0 dist 7.62621 6.64714 6.44712 16.1045 9.83906 13.8637 numMergedOcc 0
10 mol 93 unq 0 iso 0 dist 8.84466 9.43355 3.91263 13.2527 7.62629 11.283 numMergedOcc 0
11 mol 93 unq 1 iso 0 dist 8.84466 5.64141 5.59024 13.2527 7.62629 12.3817 numMergedOcc 0
12 mol 93 unq 2 iso 0 dist 8.84466 5.46186 12.9872 13.2527 7.62629 16.0185 numMergedOcc 0
13 mol 103 unq 0 iso 0 dist 6.79564 6.6142 3.86836 10.1416 9.81273 9.71722 numMergedOcc 0
14 mol 103 unq 1 iso 0 dist 6.79564 6.6142 3.86836 11.405 6.67575 10.062 numMergedOcc 0
15 mol 133 unq 0 iso 0 dist 5.59311 7.33743 3.84992 7.75644 9.21256 10.271 numMergedOcc 0
16 mol 133 unq 1 iso 0 dist 9.22456 7.33743 5.68827 7.75644 8.3243 10.271 numMergedOcc 0
17 mol 133 unq 2 iso 0 dist 5.7232 7.33743 11.5628 7.75644 6.23615 10.271 numMergedOcc 0
18 mol 147 unq 0 iso 0 dist 5.70772 8.73613 11.5768 4.93601 5.82034 12.4196 numMergedOcc 0
19 mol 147 unq 1 iso 0 dist 8.93916 8.10157 16.3583 12.1565 5.82034 20.2211 numMergedOcc 0
20 mol 159 unq 0 iso 0 dist 9.04205 9.31829 6.30259 3.81393 9.129 10.3045 numMergedOcc 0
21 mol 183 unq 0 iso 0 dist 8.53483 9.3066 12.2415 5.85166 5.83335 13.6789 numMergedOcc 0
22 mol 183 unq 1 iso 0 dist 8.53483 9.3066 12.2415 18.0876 9.92635 20.4832 numMergedOcc 0
23 mol 235 unq 0 iso 0 dist 9.61454 9.42801 4.46929 4.99819 6.44932 8.31344 numMergedOcc 0
24 mol 243 unq 0 iso 0 dist 6.81644 7.13476 6.76489 8.07142 9.19579 8.07313 numMergedOcc 0
25 mol 269 unq 0 iso 0 dist 9.48928 8.68799 3.70752 5.57188 7.1068 7.92043 numMergedOcc 0
26 mol 283 unq 0 iso 0 dist 8.28068 8.106 3.77125 5.08363 8.80418 9.60873 numMergedOcc 0
