0 mol 103 unq 0 iso 0 dist 8.68825 7.85115 3.56771 6.21393 8.42487 5.53454 numMergedOcc 0
1 mol 123 unq 0 iso 0 dist 9.07528 8.09329 4.12403 7.43229 11.1386 8.30974 numMergedOcc 0
2 mol 123 unq 1 iso 0 dist 6.0636 6.13025 6.04079 7.19969 6.7201 8.30974 numMergedOcc 0
3 mol 123 unq 2 iso 0 dist 6.24626 6.13025 4.12403 7.19969 11.1386 8.30974 numMergedOcc 0
4 mol 148 unq 0 iso 0 dist 6.3102 8.99827 10.129 5.92269 8.07915 6.81449 numMergedOcc 0
5 mol 150 unq 0 iso 0 dist 6.25629 8.97634 9.97049 5.95123 7.97801 6.87593 numMergedOcc 0
6 mol 168 unq 0 iso 0 dist 8.75994 8.1953 15.0192 12.8199 19.4725 6.48066 numMergedOcc 0
7 mol 168 unq 1 iso 0 dist 8.75994 8.16253 12.9336 15.3661 20.9237 8.47543 numMergedOcc 0
8 mol 168 unq 2 iso 0 dist 6.80155 8.1953 7.8982 12.8199 12.2539 6.48066 numMergedOcc 0
9 mol 168 unq 3 iso 0 dist 6.80155 8.16253 6.7031 15.3661 15.1243 8.47543 numMergedOcc 0
10 mol 184 unq 0 iso 0 dist 5.87728 9.35481 8.28234 7.11382 9.554 7.65214 numMergedOcc 0
11 mol 184 unq 1 iso 0 dist 6.71538 9.35481 10.4763 7.11382 12.2223 7.65214 numMergedOcc 0
12 mol 184 unq 2 iso 0 dist 8.58856 9.35481 15.0094 7.11382 15.481 7.65214 numMergedOcc 0
13 mol 210 unq 0 iso 0 dist 9.69953 9.72463 9.43763 17.8528 18.2873 9.49242 numMergedOcc 0
14 mol 269 unq 0 iso 0 dist 7.37926 6.53779 5.98901 4.50547 5.98602 6.72096 numMergedOcc 0
15 mol 269 unq 1 iso 0 dist 7.37926 6.53779 5.98901 5.57581 9.78238 9.18157 numMergedOcc 0
16 mol 285 unq 0 iso 0 dist 5.32578 6.94666 6.01515 6.61129 8.96754 6.73396 numMergedOcc 0
17 mol 294 unq 0 iso 0 dist 9.54237 6.70519 12.6639 9.32871 10.9642 7.48987 numMergedOcc 0
