0 mol 10 unq 0 iso 0 dist 5.8369 9.6451 8.53083 4.71606 9.17574 12.382 numMergedOcc 0
1 mol 10 unq 1 iso 0 dist 5.8369 9.6451 8.53083 8.74239 8.79953 13.0616 numMergedOcc 0
2 mol 10 unq 2 iso 0 dist 8.06428 7.55253 8.53083 8.15866 9.17574 12.382 numMergedOcc 0
3 mol 10 unq 3 iso 0 dist 8.06428 7.55253 8.53083 6.35199 8.79953 13.0616 numMergedOcc 0
4 mol 28 unq 0 iso 0 dist 9.28621 8.51428 8.67111 11.6018 5.19518 10.8265 numMergedOcc 0
5 mol 28 unq 1 iso 0 dist 8.09862 5.42412 3.70336 10.2252 8.69709 10.1459 numMergedOcc 0
6 mol 28 unq 2 iso 0 dist 8.09862 8.89114 3.0988 10.2252 8.69709 10.5639 numMergedOcc 0
7 mol 28 unq 3 iso 0 dist 8.97167 8.8182 3.0988 11.6344 8.69709 10.5639 numMergedOcc 0
8 mol 30 unq 0 iso 0 dist 9.71995 9.11745 11.1844 12.047 7.48723 17.0647 numMergedOcc 0
9 mol 30 unq 1 iso 0 dist 9.71995 4.62145 11.2187 12.047 7.48723 15.6508 numMergedOcc 0
10 mol 48 unq 0 iso 0 dist 7.36877 7.33788 5.61785 11.2238 5.7836 11.3217 numMergedOcc 0
11 mol 48 unq 1 iso 0 dist 7.36877 9.74351 6.20957 11.2238 5.7836 11.3188 numMergedOcc 0
12 mol 48 unq 2 iso 0 dist 7.90416 9.74553 14.9999 11.0942 9.42099 18.0538 numMergedOcc 0
13 mol 48 unq 3 iso 0 dist 9.74553 7.90416 14.9999 5.84184 5.72703 13.1918 numMergedOcc 0
14 mol 48 unq 4 iso 0 dist 6.89752 9.21776 6.29252 11.0606 5.82264 11.2213 numMergedOcc 0
15 mol 48 unq 5 iso 0 dist 6.89752 9.21776 6.29252 8.31475 8.56365 12.8942 numMergedOcc 0
16 mol 48 unq 6 iso 0 dist 6.89752 6.85843 5.553 11.0606 5.82264 11.342 numMergedOcc 0
17 mol 48 unq 7 iso 0 dist 6.89752 6.85843 5.553 8.31475 8.56365 8.74151 numMergedOcc 0
18 mol 48 unq 8 iso 0 dist 6.85843 9.21776 4.73799 8.31475 8.74151 12.8942 numMergedOcc 0
19 mol 48 unq 9 iso 0 dist 6.85843 6.89752 5.553 8.31475 8.74151 8.56365 numMergedOcc 0
20 mol 48 unq 10 iso 0 dist 7.94814 9.40291 4.73799 12.4972 8.74151 12.8942 numMergedOcc 0
21 mol 48 unq 11 iso 0 dist 7.94814 9.55632 3.18526 12.4972 8.74151 8.69662 numMergedOcc 0
22 mol 48 unq 12 iso 0 dist 9.55632 9.40291 7.19576 12.4972 8.69662 12.8942 numMergedOcc 0
23 mol 48 unq 13 iso 0 dist 9.55632 7.94814 3.18526 12.4972 8.69662 8.74151 numMergedOcc 0
24 mol 85 unq 0 iso 0 dist 8.67342 8.60062 2.58673 16.5181 9.13593 8.25144 numMergedOcc 0
25 mol 85 unq 1 iso 0 dist 8.60062 8.67342 2.58673 16.5181 8.25144 9.13593 numMergedOcc 0
26 mol 85 unq 2 iso 0 dist 5.73739 5.16225 2.58673 11.9312 9.13593 8.25144 numMergedOcc 0
27 mol 85 unq 3 iso 0 dist 5.16225 5.73739 2.58673 11.9312 8.25144 9.13593 numMergedOcc 0
28 mol 93 unq 0 iso 0 dist 7.14241 8.24402 10.7776 11.851 7.48947 17.856 numMergedOcc 0
29 mol 205 unq 0 iso 0 dist 4.93303 9.95859 13.0936 4.79372 6.81516 12.4828 numMergedOcc 0
30 mol 205 unq 1 iso 0 dist 9.95859 4.93303 13.0936 10.2111 7.24614 14.796 numMergedOcc 0
31 mol 230 unq 0 iso 0 dist 9.73038 9.62914 13.2396 12.2677 8.91416 19.3146 numMergedOcc 0
32 mol 244 unq 0 iso 0 dist 9.45199 9.07512 11.6206 4.89551 9.30179 6.10489 numMergedOcc 0
33 mol 244 unq 1 iso 0 dist 9.07512 9.45199 11.6206 4.89551 6.10489 9.30179 numMergedOcc 0
34 mol 256 unq 0 iso 0 dist 7.44294 9.62515 6.42967 10.3756 9.23909 10.1976 numMergedOcc 0
35 mol 256 unq 1 iso 0 dist 7.44294 9.62515 6.42967 7.80559 9.16597 14.2144 numMergedOcc 0
36 mol 281 unq 0 iso 0 dist 9.06888 6.62682 3.77058 13.4274 6.18742 6.8089 numMergedOcc 0
37 mol 281 unq 1 iso 0 dist 6.62682 9.06888 3.77058 13.4274 6.8089 6.18742 numMergedOcc 0
