0 mol 8 unq 0 iso 0 dist 6.92865 9.31461 5.96331 6.88402 8.99126 10.0164 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 7.84393 9.97466 6.3033 6.31174 8.73972 9.62336 numMergedOcc 0
2 mol 42 unq 0 iso 0 dist 8.52254 7.53194 3.53534 6.79455 7.41857 9.28732 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 5.36645 5.43913 3.63758 4.16088 8.09058 7.03832 numMergedOcc 0
4 mol 48 unq 1 iso 0 dist 5.36645 8.26877 6.88863 4.16088 8.09058 7.16443 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 4.24428 7.02693 3.85805 5.14919 5.64598 7.78587 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 6.30194 7.02693 5.17781 5.14919 4.65521 7.78587 numMergedOcc 0
7 mol 73 unq 2 iso 0 dist 7.01889 8.58248 4.73407 15.124 8.70133 7.78587 numMergedOcc 0
8 mol 76 unq 0 iso 0 dist 4.83274 5.91098 3.69293 13.8036 9.49449 8.90522 numMergedOcc 0
9 mol 76 unq 1 iso 0 dist 7.89214 4.86523 3.69293 6.63393 9.49449 8.90522 numMergedOcc 0
10 mol 79 unq 0 iso 0 dist 5.49623 7.75543 3.83059 6.26867 7.87814 8.58021 numMergedOcc 0
11 mol 88 unq 0 iso 0 dist 7.76275 5.6516 6.27514 8.71166 9.2603 9.3522 numMergedOcc 0
12 mol 92 unq 0 iso 0 dist 6.30103 6.34669 9.85862 9.81259 7.06013 10.4834 numMergedOcc 0
13 mol 114 unq 0 iso 0 dist 8.19156 8.53631 4.97363 5.01204 6.96442 5.96977 numMergedOcc 0
14 mol 124 unq 0 iso 0 dist 7.23052 8.50362 9.79481 10.5562 6.83051 16.142 numMergedOcc 0
15 mol 124 unq 1 iso 0 dist 7.23052 8.50362 9.79481 12.5603 9.28376 17.4719 numMergedOcc 0
16 mol 127 unq 0 iso 0 dist 8.62711 9.64136 3.97136 13.376 9.81878 13.5555 numMergedOcc 0
17 mol 140 unq 0 iso 0 dist 9.41832 7.82005 9.54649 6.92517 6.95323 11.7311 numMergedOcc 0
18 mol 140 unq 1 iso 0 dist 5.44596 7.82005 4.56057 6.92517 7.27371 11.7311 numMergedOcc 0
19 mol 175 unq 0 iso 0 dist 6.73365 8.06007 12.5746 7.92448 9.0664 15.8157 numMergedOcc 0
20 mol 204 unq 0 iso 0 dist 7.7292 6.46946 6.49075 11.695 5.90931 9.58537 numMergedOcc 0
21 mol 214 unq 0 iso 0 dist 8.47248 9.59498 6.07496 15.9026 8.60247 13.0116 numMergedOcc 0
22 mol 219 unq 0 iso 0 dist 8.09769 8.58891 10.0702 7.42613 4.87541 11.5911 numMergedOcc 0
23 mol 238 unq 0 iso 0 dist 8.89538 8.62485 5.7648 13.2905 6.77463 8.71877 numMergedOcc 0
24 mol 238 unq 1 iso 0 dist 8.89538 8.62485 5.7648 10.4286 7.2766 12.5272 numMergedOcc 0
25 mol 238 unq 2 iso 0 dist 8.89538 9.37688 9.56124 13.2905 6.77463 12.0443 numMergedOcc 0
26 mol 238 unq 3 iso 0 dist 8.89538 9.37688 9.56124 10.4286 7.2766 15.8661 numMergedOcc 0
27 mol 239 unq 0 iso 0 dist 9.26156 9.2554 9.65344 13.2114 7.20082 14.668 numMergedOcc 0
28 mol 253 unq 0 iso 0 dist 8.53729 6.93942 9.46115 15.6651 7.19465 15.0416 numMergedOcc 0
29 mol 253 unq 1 iso 0 dist 8.53729 9.05161 10.3603 15.6651 7.19465 14.9336 numMergedOcc 0
30 mol 253 unq 2 iso 0 dist 8.07341 9.31626 9.46115 14.0411 7.19465 15.0416 numMergedOcc 0
31 mol 253 unq 3 iso 0 dist 8.07341 9.77366 10.3603 14.0411 7.19465 14.9336 numMergedOcc 0
32 mol 256 unq 0 iso 0 dist 7.54586 6.33954 4.6374 5.34142 8.09363 5.85613 numMergedOcc 0
33 mol 265 unq 0 iso 0 dist 7.54805 6.18698 5.94366 8.3872 6.34034 9.47153 numMergedOcc 0
34 mol 266 unq 0 iso 0 dist 7.72749 9.32456 7.64118 13.5492 9.02188 16.4661 numMergedOcc 0
35 mol 272 unq 0 iso 0 dist 8.82094 9.87477 4.95884 10.6582 7.67853 12.5578 numMergedOcc 0
36 mol 284 unq 0 iso 0 dist 8.08993 8.2236 14.4667 9.65436 8.41504 15.5456 numMergedOcc 0
37 mol 284 unq 1 iso 0 dist 7.34344 8.2236 12.4957 5.83318 4.86729 12.6969 numMergedOcc 0
