0 mol 16 unq 0 iso 0 dist 8.46837 6.84569 6.43294 5.66529 5.77753 6.58035 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 8.46837 6.84569 6.43294 6.32814 13.1354 8.41862 numMergedOcc 0
2 mol 45 unq 0 iso 0 dist 5.90391 6.32012 5.2876 5.19805 6.94727 6.99408 numMergedOcc 0
3 mol 52 unq 0 iso 0 dist 9.67023 5.26018 6.86126 9.26324 13.6201 7.18176 numMergedOcc 0
4 mol 52 unq 1 iso 0 dist 6.86785 7.1203 6.55558 6.22409 11.32 7.18176 numMergedOcc 0
5 mol 72 unq 0 iso 0 dist 8.71615 6.7212 5.46166 5.00053 10.9109 7.321 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 7.84699 6.10011 8.04817 10.0721 6.4154 5.64598 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 7.84699 8.124 5.2774 10.0721 6.4154 4.65521 numMergedOcc 0
8 mol 73 unq 2 iso 0 dist 8.40844 6.10011 9.76331 10.0721 9.51458 5.64598 numMergedOcc 0
9 mol 73 unq 3 iso 0 dist 8.40844 8.124 5.44275 10.0721 9.51458 4.65521 numMergedOcc 0
10 mol 73 unq 4 iso 0 dist 6.99156 6.10011 10.4402 10.0721 10.9127 5.64598 numMergedOcc 0
11 mol 73 unq 5 iso 0 dist 6.99156 8.124 8.0624 10.0721 10.9127 4.65521 numMergedOcc 0
12 mol 92 unq 0 iso 0 dist 4.85152 5.90776 6.82886 11.7423 12.7989 7.96555 numMergedOcc 0
13 mol 102 unq 0 iso 0 dist 7.73836 9.84673 6.42572 7.6114 11.9326 9.94856 numMergedOcc 0
14 mol 115 unq 0 iso 0 dist 8.16113 6.04412 5.71451 5.97684 5.60716 6.50039 numMergedOcc 0
15 mol 117 unq 0 iso 0 dist 8.30003 7.0318 10.4589 5.70073 12.907 6.62561 numMergedOcc 0
16 mol 119 unq 0 iso 0 dist 7.26463 8.88255 9.35307 10.06 11.1985 9.63176 numMergedOcc 0
17 mol 124 unq 0 iso 0 dist 5.61764 6.35314 5.31501 9.93612 11.2191 6.83051 numMergedOcc 0
18 mol 124 unq 1 iso 0 dist 5.61764 6.35314 5.31501 9.06209 12.1689 9.28376 numMergedOcc 0
19 mol 134 unq 0 iso 0 dist 7.94564 6.54987 7.38651 6.63186 10.0693 7.77454 numMergedOcc 0
20 mol 134 unq 1 iso 0 dist 9.21999 6.54987 10.3334 6.63186 8.33489 7.77454 numMergedOcc 0
21 mol 140 unq 0 iso 0 dist 9.74209 7.83582 12.1389 14.4791 14.2393 8.19104 numMergedOcc 0
22 mol 140 unq 1 iso 0 dist 9.74209 9.68229 16.7631 5.35291 14.843 6.95323 numMergedOcc 0
23 mol 141 unq 0 iso 0 dist 8.51265 7.34465 13.1327 11.9359 18.3759 6.93652 numMergedOcc 0
24 mol 147 unq 0 iso 0 dist 4.95086 6.87299 5.90364 5.16833 5.96285 8.33261 numMergedOcc 0
25 mol 156 unq 0 iso 0 dist 6.67598 9.19499 5.0966 11.9162 11.6317 9.36805 numMergedOcc 0
26 mol 156 unq 1 iso 0 dist 8.98636 9.19499 8.58765 11.9162 16.7602 9.36805 numMergedOcc 0
27 mol 156 unq 2 iso 0 dist 8.79185 9.19499 9.07974 11.9162 13.5619 9.36805 numMergedOcc 0
28 mol 156 unq 3 iso 0 dist 9.41152 7.98018 4.7382 4.71629 10.377 7.55203 numMergedOcc 0
29 mol 209 unq 0 iso 0 dist 8.65539 6.14896 7.49966 4.86181 12.0568 7.95911 numMergedOcc 0
30 mol 220 unq 0 iso 0 dist 8.58709 6.21273 4.90657 5.33649 10.4686 6.84247 numMergedOcc 0
31 mol 220 unq 1 iso 0 dist 8.58709 6.21273 4.90657 12.5011 10.0817 6.99002 numMergedOcc 0
32 mol 222 unq 0 iso 0 dist 7.10689 8.5834 4.28891 4.78647 5.04916 7.18956 numMergedOcc 0
33 mol 224 unq 0 iso 0 dist 8.68767 9.73411 14.3302 9.9234 17.5997 6.87664 numMergedOcc 0
34 mol 224 unq 1 iso 0 dist 7.7163 7.07564 5.63485 4.92261 8.60781 6.87664 numMergedOcc 0
35 mol 224 unq 2 iso 0 dist 9.2 7.07564 4.8786 4.92261 11.0076 6.87664 numMergedOcc 0
36 mol 227 unq 0 iso 0 dist 7.99145 7.71761 11.4528 10.1071 17.5201 8.83563 numMergedOcc 0
37 mol 249 unq 0 iso 0 dist 6.04688 7.72708 9.50161 6.94174 12.1951 8.96876 numMergedOcc 0
38 mol 256 unq 0 iso 0 dist 8.11884 5.98967 9.07441 6.25507 12.0416 5.24676 numMergedOcc 0
39 mol 258 unq 0 iso 0 dist 8.34471 8.40766 9.45618 5.70545 12.027 6.49982 numMergedOcc 0
40 mol 265 unq 0 iso 0 dist 5.10595 5.3051 5.11366 6.10503 9.01586 6.34034 numMergedOcc 0
