0 mol 26 unq 0 iso 0 dist 8.62527 9.35525 9.97152 3.30063 8.36742 9.95805 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 8.62527 9.35525 9.97152 8.44515 8.10028 6.01782 numMergedOcc 0
2 mol 26 unq 2 iso 0 dist 8.62527 10.7581 9.03539 3.30063 8.36742 12.6238 numMergedOcc 0
3 mol 26 unq 3 iso 0 dist 8.62527 10.7581 9.03539 8.44515 8.10028 15.703 numMergedOcc 0
4 mol 26 unq 4 iso 0 dist 8.62527 7.435 8.74037 3.30063 8.36742 9.50999 numMergedOcc 0
5 mol 26 unq 5 iso 0 dist 8.62527 7.435 8.74037 8.44515 8.10028 8.95052 numMergedOcc 0
6 mol 32 unq 0 iso 0 dist 7.6082 9.76176 6.76514 3.82644 6.93709 8.03182 numMergedOcc 0
7 mol 32 unq 1 iso 0 dist 9.24687 8.89775 6.76514 7.47409 6.93709 8.03182 numMergedOcc 0
8 mol 45 unq 0 iso 0 dist 8.66843 6.13812 7.62709 4.46825 8.55903 3.82801 numMergedOcc 0
9 mol 54 unq 0 iso 0 dist 8.34361 8.98505 8.41365 2.97898 9.63616 10.2702 numMergedOcc 0
10 mol 130 unq 0 iso 0 dist 4.69926 4.9574 6.16039 8.8615 8.12319 9.6361 numMergedOcc 0
11 mol 141 unq 0 iso 0 dist 8.53875 8.66026 8.12409 12.4943 7.43045 6.00277 numMergedOcc 0
12 mol 141 unq 1 iso 0 dist 8.53875 8.66026 8.12409 6 7.74168 5.31466 numMergedOcc 0
13 mol 141 unq 2 iso 0 dist 8.53875 8.66026 8.12409 8.90391 8.16507 4.91188 numMergedOcc 0
14 mol 151 unq 0 iso 0 dist 9.39452 5.32583 7.48309 8.95545 8.16646 4.26123 numMergedOcc 0
15 mol 172 unq 0 iso 0 dist 8.2809 13.7357 8.52605 8.78717 7.3485 5.76093 numMergedOcc 0
16 mol 175 unq 0 iso 0 dist 9.51041 6.33235 9.21278 3.47137 7.10869 6.54263 numMergedOcc 0
17 mol 181 unq 0 iso 0 dist 9.14877 10.9006 9.7281 8.75517 8.07518 4.22401 numMergedOcc 0
18 mol 181 unq 1 iso 0 dist 9.14877 10.9006 9.7281 3.59953 7.39733 7.66761 numMergedOcc 0
19 mol 220 unq 0 iso 0 dist 6.64341 8.39567 8.45955 8.85684 5.04072 5.01453 numMergedOcc 0
20 mol 220 unq 1 iso 0 dist 6.64341 8.39567 8.45955 6.43635 8.67956 9.18551 numMergedOcc 0
21 mol 220 unq 2 iso 0 dist 6.64341 8.58398 7.64168 8.85684 5.04072 7.42545 numMergedOcc 0
22 mol 220 unq 3 iso 0 dist 6.64341 8.58398 7.64168 6.43635 8.67956 4.60128 numMergedOcc 0
23 mol 220 unq 4 iso 0 dist 7.31315 6.65038 8.45955 7.67001 5.04072 5.01453 numMergedOcc 0
24 mol 220 unq 5 iso 0 dist 7.31315 6.65038 8.45955 9.04953 8.67956 9.18551 numMergedOcc 0
25 mol 220 unq 6 iso 0 dist 7.31315 9.86325 7.64168 7.67001 5.04072 7.42545 numMergedOcc 0
26 mol 220 unq 7 iso 0 dist 7.31315 9.86325 7.64168 9.04953 8.67956 4.60128 numMergedOcc 0
27 mol 232 unq 0 iso 0 dist 8.21479 6.17401 8.94854 9.5606 4.76819 9.20175 numMergedOcc 0
28 mol 238 unq 0 iso 0 dist 7.32196 4.81145 6.19514 4.71803 5.90826 3.94343 numMergedOcc 0
29 mol 257 unq 0 iso 0 dist 9.27027 7.37187 7.48361 11.7751 8.81508 4.46167 numMergedOcc 0
30 mol 257 unq 1 iso 0 dist 7.87058 7.91645 7.48361 8.91326 8.81508 4.46167 numMergedOcc 0
31 mol 279 unq 0 iso 0 dist 7.35799 5.93805 8.46687 11.2104 5.76793 9.55749 numMergedOcc 0
32 mol 279 unq 1 iso 0 dist 7.35799 5.93805 8.46687 9.14234 7.72276 6.58695 numMergedOcc 0
