0 mol 24 unq 0 iso 0 dist 8.3964 10.6642 4.90592 5.65754 9.63925 9.65174 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 8.3964 8.81498 9.36461 14.5671 14.1137 9.41655 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 8.3964 8.81498 9.36461 14.1039 13.4584 6.803 numMergedOcc 0
3 mol 26 unq 0 iso 0 dist 8.98417 12.1122 9.5053 16.4738 8.58071 9.41425 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 9.18097 11.155 8.70863 16.0463 11.5785 5.72961 numMergedOcc 0
5 mol 85 unq 1 iso 0 dist 8.83135 15.3247 8.70863 15.0121 11.5785 5.72961 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 6.6186 5.00872 8.57827 8.01266 4.15826 7.87729 numMergedOcc 0
7 mol 105 unq 0 iso 0 dist 9.23757 11.0252 7.71923 14.7548 5.8332 9.09664 numMergedOcc 0
8 mol 109 unq 0 iso 0 dist 9.13614 5.02505 6.76575 11.4588 4.8632 9.67274 numMergedOcc 0
9 mol 114 unq 0 iso 0 dist 4.86767 9.20674 7.42482 7.4113 3.67473 6.4569 numMergedOcc 0
10 mol 147 unq 0 iso 0 dist 8.40219 14.4753 7.25644 20.3548 13.5462 7.19893 numMergedOcc 0
11 mol 147 unq 1 iso 0 dist 8.40219 14.4753 7.25644 20.8312 13.2259 6.37938 numMergedOcc 0
12 mol 151 unq 0 iso 0 dist 9.15141 11.9665 4.74531 20.6814 11.8889 9.06016 numMergedOcc 0
13 mol 152 unq 0 iso 0 dist 8.49831 5.49264 5.06613 8.09561 5.83776 5.42715 numMergedOcc 0
14 mol 152 unq 1 iso 0 dist 8.49831 5.49264 5.06613 9.07315 11.2086 9.70575 numMergedOcc 0
15 mol 162 unq 0 iso 0 dist 9.31025 7.6506 7.14263 9.88912 6.17752 9.56342 numMergedOcc 0
16 mol 162 unq 1 iso 0 dist 9.0087 8.07237 7.14263 14.6517 6.17752 9.56342 numMergedOcc 0
17 mol 162 unq 2 iso 0 dist 8.11292 13.9849 8.57005 16.5633 8.7961 9.56342 numMergedOcc 0
18 mol 162 unq 3 iso 0 dist 8.54006 7.2417 8.57005 12.3704 8.7961 9.56342 numMergedOcc 0
19 mol 175 unq 0 iso 0 dist 8.79832 10.1424 5.89564 11.5104 3.6642 6.90373 numMergedOcc 0
20 mol 194 unq 0 iso 0 dist 5.4455 10.3444 6.37788 7.56217 3.7326 5.13892 numMergedOcc 0
21 mol 194 unq 1 iso 0 dist 5.4455 10.3444 6.37788 9.81055 7.29209 5.78717 numMergedOcc 0
22 mol 194 unq 2 iso 0 dist 5.4455 14.1482 8.7028 7.56217 3.7326 8.2232 numMergedOcc 0
23 mol 205 unq 0 iso 0 dist 6.23057 11.501 9.17946 15.1986 13.6793 5.19567 numMergedOcc 0
24 mol 230 unq 0 iso 0 dist 8.85051 5.02022 6.34832 8.01593 6.2222 6.31092 numMergedOcc 0
25 mol 253 unq 0 iso 0 dist 9.29788 4.60689 8.15091 10.6968 10.4961 9.86765 numMergedOcc 0
26 mol 253 unq 1 iso 0 dist 9.29788 4.60689 8.15091 6.93942 5.68255 6.3738 numMergedOcc 0
27 mol 253 unq 2 iso 0 dist 9.50983 9.18036 8.15091 13.8658 10.4961 9.86765 numMergedOcc 0
28 mol 253 unq 3 iso 0 dist 9.50983 9.18036 8.15091 9.31626 5.68255 6.3738 numMergedOcc 0
29 mol 257 unq 0 iso 0 dist 8.64133 6.46467 6.82575 10.5841 3.96862 6.11157 numMergedOcc 0
30 mol 257 unq 1 iso 0 dist 8.64133 6.46467 6.82575 11.1415 5.74474 8.97744 numMergedOcc 0
31 mol 282 unq 0 iso 0 dist 8.42086 10.796 8.67489 19.732 17.93 9.9322 numMergedOcc 0
32 mol 282 unq 1 iso 0 dist 7.84236 13.26 8.67489 22.9608 17.93 9.9322 numMergedOcc 0
