0 mol 24 unq 0 iso 0 dist 8.20058 16.6906 8.86116 13.6574 6.07553 5.86882 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 8.20058 16.6906 8.86116 10.0917 6.48457 9.9259 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 8.20058 14.9411 8.38394 13.6574 6.07553 3.96228 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 8.20058 14.9411 8.38394 10.0917 6.48457 12.2071 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 9.17086 5.90113 8.80331 10.1488 9.89546 14.0634 numMergedOcc 0
5 mol 72 unq 0 iso 0 dist 6.68311 8.1124 8.8178 4.57495 4.69674 5.83438 numMergedOcc 0
6 mol 72 unq 1 iso 0 dist 6.68311 15.0607 9.96708 4.57495 4.69674 11.8198 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 6.10011 8.3449 5.93252 10.2495 6.13011 4.22425 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 8.16299 10.3774 8.70481 13.3127 5.62694 10.169 numMergedOcc 0
9 mol 73 unq 2 iso 0 dist 8.27015 12.6626 8.70481 11.3445 5.62694 10.169 numMergedOcc 0
10 mol 100 unq 0 iso 0 dist 8.22596 5.11615 8.87449 4.94034 7.69401 9.15224 numMergedOcc 0
11 mol 100 unq 1 iso 0 dist 8.22596 5.11615 8.87449 9.59434 6.92671 6.92828 numMergedOcc 0
12 mol 109 unq 0 iso 0 dist 7.51061 5.29855 7.34473 4.4441 8.43667 6.62208 numMergedOcc 0
13 mol 113 unq 0 iso 0 dist 9.08014 7.41343 5.86073 8.28777 5.94552 4.38244 numMergedOcc 0
14 mol 155 unq 0 iso 0 dist 5.68636 7.92939 6.43582 6.12768 6.89245 4.47054 numMergedOcc 0
15 mol 156 unq 0 iso 0 dist 9.68507 9.75709 7.66148 9.51675 8.6851 4.09911 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 5.16813 5.87924 9.70748 8.43821 9.83935 13.3944 numMergedOcc 0
17 mol 186 unq 1 iso 0 dist 5.16813 8.61343 7.54065 8.43821 9.83935 4.527 numMergedOcc 0
18 mol 186 unq 2 iso 0 dist 5.16813 11.0854 8.87694 8.43821 9.83935 9.6018 numMergedOcc 0
19 mol 220 unq 0 iso 0 dist 6.21273 5.1021 9.23153 9.16628 4.96654 13.231 numMergedOcc 0
20 mol 220 unq 1 iso 0 dist 6.21273 6.29601 8.24498 9.16628 4.96654 7.35133 numMergedOcc 0
21 mol 222 unq 0 iso 0 dist 5.47561 10.6375 8.01589 10.3061 8.36659 6.24593 numMergedOcc 0
22 mol 222 unq 1 iso 0 dist 5.47561 10.6375 8.01589 7.86321 9.18913 6.80274 numMergedOcc 0
23 mol 222 unq 2 iso 0 dist 5.47561 5.39098 7.7699 10.3061 8.36659 7.27562 numMergedOcc 0
24 mol 222 unq 3 iso 0 dist 5.47561 5.39098 7.7699 7.86321 9.18913 8.72187 numMergedOcc 0
25 mol 222 unq 4 iso 0 dist 5.47561 5.60111 7.21333 10.3061 8.36659 10.367 numMergedOcc 0
26 mol 222 unq 5 iso 0 dist 5.47561 5.60111 7.21333 7.86321 9.18913 12.4303 numMergedOcc 0
27 mol 231 unq 0 iso 0 dist 8.91036 10.613 7.37839 4.18904 7.31553 6.58152 numMergedOcc 0
28 mol 253 unq 0 iso 0 dist 7.26981 9.23512 7.32223 9.16149 9.29422 3.87128 numMergedOcc 0
29 mol 253 unq 1 iso 0 dist 7.26981 10.8952 8.31064 9.16149 9.29422 10.8347 numMergedOcc 0
30 mol 253 unq 2 iso 0 dist 9.02643 12.3948 7.32223 14.6166 9.29422 3.87128 numMergedOcc 0
31 mol 253 unq 3 iso 0 dist 9.02643 8.25257 8.31064 14.6166 9.29422 10.8347 numMergedOcc 0
32 mol 265 unq 0 iso 0 dist 5.3051 11.4819 8.4218 10.7731 8.95701 5.78373 numMergedOcc 0
