0 mol 28 unq 0 iso 0 dist 5.32719 7.26052 7.28416 8.0641 9.72965 4.74049 11.6018 7.40415 8.4285 12.67 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 5.32719 7.26052 7.28416 10.6532 5.63315 10.2179 11.6018 7.40415 8.4285 7.00226 numMergedOcc 0
2 mol 28 unq 2 iso 0 dist 5.32719 7.26052 7.28416 12.9204 9.8465 7.01194 11.6018 7.40415 8.4285 5.93722 numMergedOcc 0
3 mol 28 unq 3 iso 0 dist 7.03702 7.36654 7.28416 5.53358 9.72965 4.74049 12.7227 7.40415 8.4285 12.67 numMergedOcc 0
4 mol 28 unq 4 iso 0 dist 7.03702 7.36654 7.28416 9.79971 5.63315 10.2179 12.7227 7.40415 8.4285 7.00226 numMergedOcc 0
5 mol 28 unq 5 iso 0 dist 7.03702 7.36654 7.28416 11.7809 9.8465 7.01194 12.7227 7.40415 8.4285 5.93722 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 8.39494 5.4527 8.03303 9.06936 8.58543 8.92736 13.4867 7.62738 14.6243 15.4757 numMergedOcc 0
7 mol 92 unq 0 iso 0 dist 6.40964 9.40813 8.65802 9.28233 8.03028 12.1157 5.04277 8.57827 13.534 12.6909 numMergedOcc 0
8 mol 92 unq 1 iso 0 dist 6.40964 9.40813 8.65802 9.28233 8.03028 12.1157 6.77665 7.94453 5.83515 7.57205 numMergedOcc 0
9 mol 92 unq 2 iso 0 dist 6.40964 9.40813 8.65802 11.1606 7.39754 7.23437 5.04277 8.57827 13.534 15.1698 numMergedOcc 0
10 mol 92 unq 3 iso 0 dist 6.40964 9.40813 8.65802 11.1606 7.39754 7.23437 6.77665 7.94453 5.83515 6.82081 numMergedOcc 0
11 mol 93 unq 0 iso 0 dist 8.16531 14.5206 9.81831 4.55916 5.51624 11.6865 14.4018 7.62611 4.4022 11.4196 numMergedOcc 0
12 mol 93 unq 1 iso 0 dist 8.16531 14.5206 9.81831 15.9068 7.8674 12.2598 14.4018 7.62611 4.4022 8.05783 numMergedOcc 0
13 mol 93 unq 2 iso 0 dist 8.16531 10.2104 9.12858 4.55916 5.51624 7.64463 14.4018 7.62611 8.96224 11.4196 numMergedOcc 0
14 mol 93 unq 3 iso 0 dist 8.16531 10.2104 9.12858 15.9068 7.8674 14.8533 14.4018 7.62611 8.96224 8.05783 numMergedOcc 0
15 mol 93 unq 4 iso 0 dist 8.16531 12.7325 9.4523 4.55916 5.51624 8.29171 14.4018 7.62611 10.3849 11.4196 numMergedOcc 0
16 mol 93 unq 5 iso 0 dist 8.16531 12.7325 9.4523 15.9068 7.8674 12.7936 14.4018 7.62611 10.3849 8.05783 numMergedOcc 0
17 mol 93 unq 6 iso 0 dist 8.98593 10.145 9.81831 13.8162 5.51624 11.6865 7.04959 7.62611 4.4022 11.4196 numMergedOcc 0
18 mol 93 unq 7 iso 0 dist 8.98593 10.145 9.81831 8.93352 7.8674 12.2598 7.04959 7.62611 4.4022 8.05783 numMergedOcc 0
19 mol 93 unq 8 iso 0 dist 8.98593 13.574 9.12858 13.8162 5.51624 7.64463 7.04959 7.62611 8.96224 11.4196 numMergedOcc 0
20 mol 93 unq 9 iso 0 dist 8.98593 13.574 9.12858 8.93352 7.8674 14.8533 7.04959 7.62611 8.96224 8.05783 numMergedOcc 0
21 mol 93 unq 10 iso 0 dist 8.98593 16.236 9.4523 13.8162 5.51624 8.29171 7.04959 7.62611 10.3849 11.4196 numMergedOcc 0
22 mol 93 unq 11 iso 0 dist 8.98593 16.236 9.4523 8.93352 7.8674 12.7936 7.04959 7.62611 10.3849 8.05783 numMergedOcc 0
23 mol 109 unq 0 iso 0 dist 8.71813 9.09837 8.67766 5.71872 9.92553 11.8348 6.12935 6.76575 7.20706 10.9279 numMergedOcc 0
24 mol 109 unq 1 iso 0 dist 8.71813 10.9676 8.0831 5.71872 9.92553 15.0307 6.12935 6.76575 5.35728 10.9279 numMergedOcc 0
25 mol 141 unq 0 iso 0 dist 8.02258 14.4768 6.69515 10.8234 8.26172 9.76015 5.63251 4.46777 10.1386 6.52248 numMergedOcc 0
26 mol 141 unq 1 iso 0 dist 8.02258 14.4768 6.69515 10.8234 8.26172 9.76015 12.1023 6.94988 7.42649 4.98952 numMergedOcc 0
27 mol 141 unq 2 iso 0 dist 8.02258 13.0477 7.86572 10.8234 8.26172 8.24418 5.63251 4.46777 10.1432 6.52248 numMergedOcc 0
28 mol 141 unq 3 iso 0 dist 8.02258 13.0477 7.86572 10.8234 8.26172 8.24418 12.1023 6.94988 9.43674 4.98952 numMergedOcc 0
29 mol 162 unq 0 iso 0 dist 8.6792 6.22059 6.20182 12.783 8.53374 6.69868 10.301 7.14263 4.20425 3.76192 numMergedOcc 0
30 mol 162 unq 1 iso 0 dist 8.6792 6.22059 6.20182 12.783 8.53374 6.69868 4.05981 8.57005 6.07158 11.41 numMergedOcc 0
31 mol 175 unq 0 iso 0 dist 9.02096 13.6066 8.0154 9.412 7.32419 12.3408 8.56805 8.05247 6.29885 11.2348 numMergedOcc 0
32 mol 175 unq 1 iso 0 dist 9.02096 13.6066 8.0154 9.412 7.32419 12.3408 11.8728 9.71028 7.27408 8.94702 numMergedOcc 0
33 mol 175 unq 2 iso 0 dist 9.02096 13.6066 8.0154 11.9733 8.31961 8.68081 8.56805 8.05247 6.29885 9.23758 numMergedOcc 0
34 mol 175 unq 3 iso 0 dist 9.02096 13.6066 8.0154 11.9733 8.31961 8.68081 11.8728 9.71028 7.27408 4.06277 numMergedOcc 0
35 mol 218 unq 0 iso 0 dist 5.8679 7.34507 8.86175 11.3148 9.06334 9.46742 10.6737 9.32945 4.92618 7.21841 numMergedOcc 0
36 mol 218 unq 1 iso 0 dist 5.8679 4.79566 6.29511 11.3148 9.06334 11.438 10.6737 9.32945 7.84019 7.21841 numMergedOcc 0
37 mol 258 unq 0 iso 0 dist 8.35413 5.38982 6.70815 10.2978 6.47194 6.6525 10.3959 9.91199 10.8558 8.09074 numMergedOcc 0
38 mol 258 unq 1 iso 0 dist 8.35413 12.3699 7.99477 10.2978 6.47194 5.27959 10.3959 9.91199 13.2927 8.09074 numMergedOcc 0
