0 mol 16 unq 0 iso 0 dist 8.46837 6.84569 6.43294 5.46269 9.79958 5.46498 5.66529 5.77753 6.58035 5.94084 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 8.46837 6.84569 6.43294 5.46269 9.79958 5.46498 6.32814 13.1354 8.41862 6.73355 numMergedOcc 0
2 mol 52 unq 0 iso 0 dist 9.67023 5.26018 6.86126 12.8491 15.6506 9.80098 9.26324 13.6201 7.18176 5.93337 numMergedOcc 0
3 mol 52 unq 1 iso 0 dist 9.67023 5.26018 6.86126 10.3287 12.0739 7.34143 9.26324 13.6201 7.18176 4.5482 numMergedOcc 0
4 mol 52 unq 2 iso 0 dist 6.86785 7.1203 6.55558 5.92851 11.8328 9.80098 6.22409 11.32 7.18176 5.93337 numMergedOcc 0
5 mol 52 unq 3 iso 0 dist 6.86785 7.1203 6.55558 6.03647 9.90304 7.34143 6.22409 11.32 7.18176 4.5482 numMergedOcc 0
6 mol 72 unq 0 iso 0 dist 8.71615 6.7212 5.46166 11.6369 15.4232 9.96708 5.00053 10.9109 7.321 9.0131 numMergedOcc 0
7 mol 72 unq 1 iso 0 dist 8.71615 6.7212 5.46166 6.12361 13.8194 9.78528 5.00053 10.9109 7.321 6.11922 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 7.84699 6.10011 8.04817 8.3449 11.905 5.93252 10.0721 6.4154 5.64598 9.77992 numMergedOcc 0
9 mol 73 unq 1 iso 0 dist 7.84699 8.124 5.2774 13.4367 6.89722 6.19304 10.0721 6.4154 4.65521 7.41074 numMergedOcc 0
10 mol 73 unq 2 iso 0 dist 8.40844 6.10011 9.76331 8.3449 14.8258 5.93252 10.0721 9.51458 5.64598 9.77992 numMergedOcc 0
11 mol 73 unq 3 iso 0 dist 8.40844 8.124 5.44275 13.4367 7.26679 6.19304 10.0721 9.51458 4.65521 7.41074 numMergedOcc 0
12 mol 73 unq 4 iso 0 dist 6.99156 6.10011 10.4402 8.3449 14.0323 5.93252 10.0721 10.9127 5.64598 9.77992 numMergedOcc 0
13 mol 73 unq 5 iso 0 dist 6.99156 8.124 8.0624 13.4367 10.1503 6.19304 10.0721 10.9127 4.65521 7.41074 numMergedOcc 0
14 mol 102 unq 0 iso 0 dist 7.73836 9.84673 6.42572 5.09542 9.01767 7.36792 7.6114 11.9326 9.94856 5.498 numMergedOcc 0
15 mol 115 unq 0 iso 0 dist 8.16113 6.04412 5.71451 5.24229 8.81562 4.99221 5.97684 5.60716 6.50039 5.60178 numMergedOcc 0
16 mol 117 unq 0 iso 0 dist 8.30003 7.0318 10.4589 8.12649 12.1493 9.84395 5.70073 12.907 6.62561 11.3679 numMergedOcc 0
17 mol 117 unq 1 iso 0 dist 8.30003 7.0318 10.4589 5.21051 9.85576 7.90328 5.70073 12.907 6.62561 4.91401 numMergedOcc 0
18 mol 119 unq 0 iso 0 dist 7.26463 8.88255 9.35307 10.5726 15.5753 8.73993 10.06 11.1985 9.63176 10.6679 numMergedOcc 0
19 mol 156 unq 0 iso 0 dist 6.67598 9.19499 5.0966 5.66289 7.30021 7.44554 11.9162 11.6317 9.36805 6.29785 numMergedOcc 0
20 mol 156 unq 1 iso 0 dist 8.98636 9.19499 8.58765 5.66289 12.0043 7.44554 11.9162 16.7602 9.36805 6.29785 numMergedOcc 0
21 mol 156 unq 2 iso 0 dist 8.79185 9.19499 9.07974 5.66289 10.0734 7.44554 11.9162 13.5619 9.36805 6.29785 numMergedOcc 0
22 mol 156 unq 3 iso 0 dist 9.41152 7.98018 4.7382 4.68187 12.6493 9.83699 4.71629 10.377 7.55203 6.29785 numMergedOcc 0
23 mol 209 unq 0 iso 0 dist 8.65539 6.14896 7.49966 9.80484 14.3923 7.56373 4.86181 12.0568 7.95911 7.19056 numMergedOcc 0
24 mol 220 unq 0 iso 0 dist 8.58709 6.21273 4.90657 5.1021 9.8711 9.23153 5.33649 10.4686 6.84247 6.7067 numMergedOcc 0
25 mol 220 unq 1 iso 0 dist 8.58709 6.21273 4.90657 5.1021 9.8711 9.23153 12.5011 10.0817 6.99002 15.9568 numMergedOcc 0
26 mol 220 unq 2 iso 0 dist 8.58709 6.21273 4.90657 6.29601 12.6756 8.24498 5.33649 10.4686 6.84247 6.05129 numMergedOcc 0
27 mol 220 unq 3 iso 0 dist 8.58709 6.21273 4.90657 6.29601 12.6756 8.24498 12.5011 10.0817 6.99002 11.1321 numMergedOcc 0
28 mol 222 unq 0 iso 0 dist 7.10689 8.5834 4.28891 5.01062 8.7347 7.54212 4.78647 5.04916 7.18956 7.61682 numMergedOcc 0
29 mol 224 unq 0 iso 0 dist 8.68767 9.73411 14.3302 14.1073 20.6047 8.95269 9.9234 17.5997 6.87664 7.98696 numMergedOcc 0
30 mol 224 unq 1 iso 0 dist 8.68767 9.73411 14.3302 9.81806 15.9877 6.57273 9.9234 17.5997 6.87664 7.12232 numMergedOcc 0
31 mol 224 unq 2 iso 0 dist 8.68767 9.73411 14.3302 5.99647 12.7282 5.78342 9.9234 17.5997 6.87664 5.3621 numMergedOcc 0
32 mol 224 unq 3 iso 0 dist 7.7163 7.07564 5.63485 11.8217 9.34636 8.95269 4.92261 8.60781 6.87664 7.98696 numMergedOcc 0
33 mol 224 unq 4 iso 0 dist 7.7163 7.07564 5.63485 10.8463 9.79616 6.57273 4.92261 8.60781 6.87664 7.12232 numMergedOcc 0
34 mol 224 unq 5 iso 0 dist 7.7163 7.07564 5.63485 5.44863 10.0081 5.78342 4.92261 8.60781 6.87664 5.3621 numMergedOcc 0
35 mol 224 unq 6 iso 0 dist 9.2 7.07564 4.8786 11.8217 12.8171 8.95269 4.92261 11.0076 6.87664 7.98696 numMergedOcc 0
36 mol 224 unq 7 iso 0 dist 9.2 7.07564 4.8786 10.8463 11.1052 6.57273 4.92261 11.0076 6.87664 7.12232 numMergedOcc 0
37 mol 224 unq 8 iso 0 dist 9.2 7.07564 4.8786 5.44863 9.29703 5.78342 4.92261 11.0076 6.87664 5.3621 numMergedOcc 0
38 mol 227 unq 0 iso 0 dist 7.99145 7.71761 11.4528 5.841 9.17826 7.55216 10.1071 17.5201 8.83563 11.662 numMergedOcc 0
39 mol 256 unq 0 iso 0 dist 8.11884 5.98967 9.07441 6.64029 14.2736 8.29103 6.25507 12.0416 5.24676 4.22352 numMergedOcc 0
40 mol 265 unq 0 iso 0 dist 5.10595 5.3051 5.11366 11.4819 12.3211 8.4218 6.10503 9.01586 6.34034 6.43013 numMergedOcc 0
