0 mol 56 unq 0 iso 0 dist 8.23618 10.1759 6.80741 11.1228 4.7418 8.63486 numMergedOcc 0
1 mol 73 unq 0 iso 0 dist 6.99156 16.0086 9.02288 11.5853 6.28525 8.03303 numMergedOcc 0
2 mol 73 unq 1 iso 0 dist 7.21285 4.91508 9.02288 8.0534 6.28525 8.03303 numMergedOcc 0
3 mol 73 unq 2 iso 0 dist 6.95094 4.91508 9.58544 8.0534 5.32605 8.03303 numMergedOcc 0
4 mol 98 unq 0 iso 0 dist 7.26246 4.82943 7.38759 11.068 7.44829 7.32289 numMergedOcc 0
5 mol 98 unq 1 iso 0 dist 8.6728 10.602 7.38759 9.67735 7.44829 7.32289 numMergedOcc 0
6 mol 111 unq 0 iso 0 dist 8.41868 10.9559 8.42147 13.9621 7.13575 7.71107 numMergedOcc 0
7 mol 114 unq 0 iso 0 dist 8.592 9.52181 8.42445 6.07991 10.9798 6.34525 numMergedOcc 0
8 mol 126 unq 0 iso 0 dist 9.40608 5.50061 9.54928 9.31118 12.3511 9.46588 numMergedOcc 0
9 mol 131 unq 0 iso 0 dist 5.50364 5.29825 8.97145 12.0195 13.3078 9.29384 numMergedOcc 0
10 mol 131 unq 1 iso 0 dist 8.7301 5.29825 6.5874 12.0195 10.6416 9.29384 numMergedOcc 0
11 mol 142 unq 0 iso 0 dist 5.1557 6.01403 7.57458 11.1518 9.05212 9.17106 numMergedOcc 0
12 mol 142 unq 1 iso 0 dist 9.5355 8.68855 7.57458 13.971 9.05212 9.17106 numMergedOcc 0
13 mol 175 unq 0 iso 0 dist 8.39634 9.72213 9.00898 10.9055 11.9192 5.4969 numMergedOcc 0
14 mol 175 unq 1 iso 0 dist 8.39634 9.72213 9.00898 14.0561 11.0956 6.4318 numMergedOcc 0
15 mol 175 unq 2 iso 0 dist 8.39634 9.72213 9.00898 16.9999 15.1521 7.35824 numMergedOcc 0
16 mol 175 unq 3 iso 0 dist 8.39634 9.72213 9.00898 17.8653 13.624 9.17364 numMergedOcc 0
17 mol 207 unq 0 iso 0 dist 4.55528 5.62653 5.08312 11.7406 7.39702 8.85547 numMergedOcc 0
18 mol 207 unq 1 iso 0 dist 4.55528 5.62653 5.08312 12.691 9.2787 7.96797 numMergedOcc 0
19 mol 214 unq 0 iso 0 dist 5.69733 5.68711 8.49704 7.30003 5.20422 6.38157 numMergedOcc 0
20 mol 220 unq 0 iso 0 dist 4.3362 9.20027 7.31105 14.3814 12.6425 5.45036 numMergedOcc 0
21 mol 220 unq 1 iso 0 dist 4.3362 9.20027 7.31105 15.7591 12.3625 9.97586 numMergedOcc 0
22 mol 222 unq 0 iso 0 dist 7.10689 5.01062 8.7347 12.6432 11.5459 8.48341 numMergedOcc 0
23 mol 227 unq 0 iso 0 dist 7.99145 5.841 9.17826 11.0495 7.69431 8.03442 numMergedOcc 0
24 mol 251 unq 0 iso 0 dist 9.22712 10.1343 9.94161 17.4803 13.5693 8.01198 numMergedOcc 0
25 mol 252 unq 0 iso 0 dist 8.04265 14.8036 9.73021 10.8478 7.37634 7.50201 numMergedOcc 0
26 mol 252 unq 1 iso 0 dist 9.42193 14.864 9.73021 14.6356 7.37634 7.50201 numMergedOcc 0
27 mol 257 unq 0 iso 0 dist 5.65496 5.99362 5.36776 15.0836 10.6191 9.95546 numMergedOcc 0
28 mol 258 unq 0 iso 0 dist 6.59521 5.13233 8.58088 12.9634 13.2039 9.53063 numMergedOcc 0
29 mol 274 unq 0 iso 0 dist 7.59956 11.3084 9.02749 13.8476 7.47773 7.52109 numMergedOcc 0
30 mol 274 unq 1 iso 0 dist 7.59956 11.3084 9.02749 15.4676 9.5741 7.44083 numMergedOcc 0
31 mol 274 unq 2 iso 0 dist 8.05503 16.897 9.02749 14.2908 7.47773 7.52109 numMergedOcc 0
32 mol 274 unq 3 iso 0 dist 8.05503 16.897 9.02749 15.7793 9.5741 7.44083 numMergedOcc 0
33 mol 274 unq 4 iso 0 dist 5.59151 13.8866 9.02749 10.28 7.47773 7.52109 numMergedOcc 0
34 mol 274 unq 5 iso 0 dist 5.59151 13.8866 9.02749 13.8628 9.5741 7.44083 numMergedOcc 0
35 mol 274 unq 6 iso 0 dist 7.24089 5.56999 6.00877 8.9766 12.8903 7.4099 numMergedOcc 0
36 mol 274 unq 7 iso 0 dist 9.96645 6.04536 9.696 14.336 16.1684 9.56685 numMergedOcc 0
37 mol 274 unq 8 iso 0 dist 9.96645 6.04536 9.696 14.2696 16.3319 8.49922 numMergedOcc 0
38 mol 274 unq 9 iso 0 dist 9.29005 10.2696 6.00877 15.4608 12.8903 7.4099 numMergedOcc 0
39 mol 274 unq 10 iso 0 dist 8.16746 10.2696 8.66451 15.4608 16.0267 7.4099 numMergedOcc 0
40 mol 274 unq 11 iso 0 dist 9.2447 6.12463 9.696 15.0732 16.1684 9.56685 numMergedOcc 0
41 mol 274 unq 12 iso 0 dist 9.2447 6.12463 9.696 11.4718 16.3319 8.49922 numMergedOcc 0
42 mol 277 unq 0 iso 0 dist 7.98871 7.0797 9.98528 9.06496 7.01469 6.57903 numMergedOcc 0
