0 mol 7 unq 0 iso 0 dist 8.41173 7.38748 10.1841 6.22892 6.3027 5.0893 5.13744 10.2446 8.77133 6.36911 numMergedOcc 0
1 mol 8 unq 0 iso 0 dist 9.00925 8.68949 16.2669 8.89145 5.7343 13.2274 6.88402 15.3607 8.70858 14.849 numMergedOcc 0
2 mol 8 unq 1 iso 0 dist 9.00925 8.68949 16.2669 6.92865 11.3728 8.33226 6.88402 15.3607 8.70858 8.99126 numMergedOcc 0
3 mol 42 unq 0 iso 0 dist 8.84148 5.52834 5.21506 8.52254 6.73507 4.38082 6.79455 11.6888 6.51963 7.41857 numMergedOcc 0
4 mol 64 unq 0 iso 0 dist 6.08228 5.66803 5.88036 5.54343 5.33496 5.9853 10.0913 12.174 7.77991 13.3487 numMergedOcc 0
5 mol 64 unq 1 iso 0 dist 6.08228 5.66803 5.88036 5.54343 5.33496 5.9853 5.68492 9.82635 5.1488 8.68586 numMergedOcc 0
6 mol 64 unq 2 iso 0 dist 9.86958 8.85416 5.88036 9.99634 10.8691 6.43864 8.21081 12.174 7.77991 9.80142 numMergedOcc 0
7 mol 64 unq 3 iso 0 dist 9.86958 8.85416 5.88036 9.99634 10.8691 6.43864 11.6323 9.82635 5.1488 9.54144 numMergedOcc 0
8 mol 87 unq 0 iso 0 dist 9.10245 9.90256 5.83874 5.26938 5.39287 5.30415 7.62644 12.6881 9.53368 7.51358 numMergedOcc 0
9 mol 87 unq 1 iso 0 dist 9.10245 9.90256 5.83874 5.26938 5.39287 5.30415 10.8096 11.2241 6.54532 8.93296 numMergedOcc 0
10 mol 87 unq 2 iso 0 dist 9.10245 9.90256 5.83874 8.91602 11.6194 11.2095 7.62644 12.6881 9.53368 8.32298 numMergedOcc 0
11 mol 87 unq 3 iso 0 dist 9.10245 9.90256 5.83874 8.91602 11.6194 11.2095 10.8096 11.2241 6.54532 14.2495 numMergedOcc 0
12 mol 114 unq 0 iso 0 dist 9.6874 6.54778 4.84565 5.97879 8.15877 5.0333 5.84883 10.8293 6.06039 6.73814 numMergedOcc 0
13 mol 114 unq 1 iso 0 dist 9.6874 6.54778 4.84565 5.97879 8.15877 5.0333 10.9953 13.5042 9.36502 11.8516 numMergedOcc 0
14 mol 159 unq 0 iso 0 dist 7.60912 6.86212 8.83633 8.55431 8.50143 5.10423 3.90437 11.3079 9.23757 10.6557 numMergedOcc 0
15 mol 162 unq 0 iso 0 dist 8.954 6.59407 7.84996 9.42819 8.35998 9.00663 8.08223 14.5486 8.8048 16.1368 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 6.47689 9.40718 5.15002 9.63295 5.16386 5.32364 10.602 10.2559 9.23089 6.93764 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 7.02662 6.72718 6.12748 6.99623 6.3719 5.25279 9.77203 13.0019 7.46024 11.2582 numMergedOcc 0
18 mol 230 unq 0 iso 0 dist 6.88683 9.24729 11.0843 8.33847 6.87235 12.2372 10.2514 14.2362 7.08409 11.8967 numMergedOcc 0
