0 mol 7 unq 0 iso 0 dist 8.36111 5.77391 6.1206 8.94874 5.07985 7.21217 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 5.99898 5.77391 7.67927 8.94874 6.83196 7.21217 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 7.2834 10.3415 7.67927 13.4081 6.83196 7.21217 numMergedOcc 0
3 mol 8 unq 0 iso 0 dist 9.08552 13.7837 9.01112 17.5887 9.29802 7.45487 numMergedOcc 0
4 mol 16 unq 0 iso 0 dist 9.45103 12.5048 8.43054 13.7748 6.04677 5.84479 numMergedOcc 0
5 mol 56 unq 0 iso 0 dist 5.62688 5.02731 9.2898 11.3844 14.8094 6.80741 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 8.8326 15.957 8.13108 11.0633 4.74638 6.83992 numMergedOcc 0
7 mol 109 unq 0 iso 0 dist 9.05604 5.25186 6.29161 11.3225 10.4255 8.21889 numMergedOcc 0
8 mol 109 unq 1 iso 0 dist 5.58623 5.25186 7.86666 11.3225 14.5244 8.21889 numMergedOcc 0
9 mol 109 unq 2 iso 0 dist 5.58623 13.5568 9.77497 11.6605 6.54844 6.31633 numMergedOcc 0
10 mol 117 unq 0 iso 0 dist 8.54233 5.34484 6.10127 5.24519 6.66127 7.70533 numMergedOcc 0
11 mol 129 unq 0 iso 0 dist 8.46972 10.1294 5.51197 12.6621 4.79473 6.29026 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 4.79003 7.33132 7.22643 14.2446 12.9426 9.4473 numMergedOcc 0
13 mol 142 unq 0 iso 0 dist 5.90339 8.68855 7.81207 9.5355 9.23267 7.57458 numMergedOcc 0
14 mol 207 unq 0 iso 0 dist 8.01415 5.62653 5.12567 4.55528 4.43093 5.08312 numMergedOcc 0
15 mol 207 unq 1 iso 0 dist 9.3 10.0122 9.98372 12.467 5.15938 8.09522 numMergedOcc 0
16 mol 207 unq 2 iso 0 dist 9.3 9.87241 6.0563 12.467 5.15938 5.08312 numMergedOcc 0
17 mol 207 unq 3 iso 0 dist 8.25861 4.4545 9.98372 4.55528 5.15938 8.09522 numMergedOcc 0
18 mol 207 unq 4 iso 0 dist 8.25861 5.62653 6.0563 4.55528 5.15938 5.08312 numMergedOcc 0
19 mol 207 unq 5 iso 0 dist 8.61191 14.6821 9.1528 15.9217 7.6274 8.09522 numMergedOcc 0
20 mol 207 unq 6 iso 0 dist 8.61191 14.5186 8.1244 15.9217 7.6274 5.08312 numMergedOcc 0
21 mol 207 unq 7 iso 0 dist 6.76443 10.0122 9.1528 12.467 7.6274 8.09522 numMergedOcc 0
22 mol 207 unq 8 iso 0 dist 6.76443 9.87241 8.1244 12.467 7.6274 5.08312 numMergedOcc 0
23 mol 207 unq 9 iso 0 dist 8.5067 4.4545 9.1528 4.55528 7.6274 8.09522 numMergedOcc 0
24 mol 207 unq 10 iso 0 dist 8.5067 5.62653 8.1244 4.55528 7.6274 5.08312 numMergedOcc 0
25 mol 214 unq 0 iso 0 dist 6.91906 5.68711 7.46481 5.69733 4.112 8.49704 numMergedOcc 0
26 mol 224 unq 0 iso 0 dist 5.88041 13.1803 8.08349 7.46044 3.56689 9.75313 numMergedOcc 0
27 mol 224 unq 1 iso 0 dist 5.88041 13.1803 8.08349 17.2648 11.4272 6.08709 numMergedOcc 0
28 mol 224 unq 2 iso 0 dist 5.31916 9.81806 8.79428 15.0577 12.65 9.79616 numMergedOcc 0
29 mol 224 unq 3 iso 0 dist 5.31916 5.99647 6.8692 13.2758 9.56183 9.29703 numMergedOcc 0
30 mol 235 unq 0 iso 0 dist 6.50932 8.38435 5.1823 7.52696 5.39025 7.2346 numMergedOcc 0
31 mol 259 unq 0 iso 0 dist 6.95658 5.20592 9.07743 9.16548 9.90573 6.77279 numMergedOcc 0
32 mol 259 unq 1 iso 0 dist 6.95658 6.80302 7.66153 9.16548 9.90573 9.58006 numMergedOcc 0
33 mol 264 unq 0 iso 0 dist 7.05095 9.80039 5.90058 15.1151 8.41904 7.22789 numMergedOcc 0
34 mol 274 unq 0 iso 0 dist 9.40401 11.1036 9.30212 15.5342 15.2854 6.00877 numMergedOcc 0
35 mol 274 unq 1 iso 0 dist 9.40401 11.1036 9.30212 17.6927 16.784 8.66451 numMergedOcc 0
36 mol 274 unq 2 iso 0 dist 5.64169 11.5127 9.30212 16.9209 15.2854 6.00877 numMergedOcc 0
37 mol 274 unq 3 iso 0 dist 5.64169 11.5127 9.30212 17.7769 16.784 8.66451 numMergedOcc 0
38 mol 276 unq 0 iso 0 dist 8.51449 6.33662 8.6759 12.2138 5.58312 9.05218 numMergedOcc 0
39 mol 276 unq 1 iso 0 dist 7.70127 9.58401 8.6759 7.35537 5.58312 9.05218 numMergedOcc 0
40 mol 280 unq 0 iso 0 dist 6.16546 5.80223 6.86234 9.9227 7.42656 8.85762 numMergedOcc 0
41 mol 284 unq 0 iso 0 dist 9.02411 6.535 6.41303 7.80784 6.34668 8.42412 numMergedOcc 0
