0 mol 11 unq 0 iso 0 dist 5.56531 4.48789 5.67087 6.49542 6.03873 7.56871 numMergedOcc 0
1 mol 45 unq 0 iso 0 dist 8.83919 6.07757 8.50375 9.60864 5.85737 7.70625 numMergedOcc 0
2 mol 45 unq 1 iso 0 dist 8.83919 6.07757 8.50375 8.73518 3.61653 6.01423 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 6.16745 11.4785 7.78587 13.5801 7.98468 7.10439 numMergedOcc 0
4 mol 79 unq 0 iso 0 dist 6.29267 9.878 7.90338 11.3221 5.25584 7.87237 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 6.56288 12.0467 5.61151 10.6441 5.22259 6.05495 numMergedOcc 0
6 mol 85 unq 1 iso 0 dist 5.97559 12.0467 6.54289 10.6441 7.66499 6.05495 numMergedOcc 0
7 mol 90 unq 0 iso 0 dist 6.02596 8.43244 6.18681 11.4017 5.57394 9.56752 numMergedOcc 0
8 mol 90 unq 1 iso 0 dist 8.17454 12.4268 6.18681 10.6506 5.57394 9.56752 numMergedOcc 0
9 mol 111 unq 0 iso 0 dist 5.53271 4.10604 7.75479 10.4424 8.11413 9.10794 numMergedOcc 0
10 mol 130 unq 0 iso 0 dist 7.50304 11.3038 7.92317 16.7012 9.58331 9.62236 numMergedOcc 0
11 mol 130 unq 1 iso 0 dist 7.50304 11.3038 7.92317 5.65876 3.90693 6.90634 numMergedOcc 0
12 mol 141 unq 0 iso 0 dist 5.86693 4.41049 6.40751 7.57714 3.84623 5.52683 numMergedOcc 0
13 mol 141 unq 1 iso 0 dist 8.14978 13.2439 6.50336 10.6158 3.80087 4.25566 numMergedOcc 0
14 mol 141 unq 2 iso 0 dist 8.14978 13.2439 6.50336 6.93424 3.80763 7.31037 numMergedOcc 0
15 mol 181 unq 0 iso 0 dist 7.24832 4.56814 6.91878 9.0234 3.63671 7.05653 numMergedOcc 0
16 mol 204 unq 0 iso 0 dist 7.15344 4.22625 7.76863 11.2189 9.16458 9.55606 numMergedOcc 0
17 mol 204 unq 1 iso 0 dist 8.09863 11.0196 8.41517 15.7671 9.61866 7.10526 numMergedOcc 0
18 mol 238 unq 0 iso 0 dist 9.31268 9.28896 8.71877 6.62283 13.8952 8.90076 numMergedOcc 0
19 mol 238 unq 1 iso 0 dist 9.31268 9.28896 8.71877 8.60978 12.856 6.62002 numMergedOcc 0
20 mol 264 unq 0 iso 0 dist 9.05879 10.9568 8.56867 15.9117 13.0664 7.34094 numMergedOcc 0
21 mol 264 unq 1 iso 0 dist 6.67548 6.08436 8.56867 12.7235 13.0664 7.34094 numMergedOcc 0
22 mol 264 unq 2 iso 0 dist 5.57579 6.08436 6.29872 12.7235 10.4666 7.34094 numMergedOcc 0
23 mol 287 unq 0 iso 0 dist 9.14217 8.73374 5.50067 13.2024 5.39801 5.59555 numMergedOcc 0
24 mol 288 unq 0 iso 0 dist 9.14217 8.73374 5.50067 13.2024 5.39801 5.59555 numMergedOcc 0
25 mol 289 unq 0 iso 0 dist 9.14217 8.73374 5.50067 13.2024 5.39801 5.59555 numMergedOcc 0
26 mol 292 unq 0 iso 0 dist 9.15937 6.33111 3.93401 11.2841 4.30125 5.7131 numMergedOcc 0
27 mol 294 unq 0 iso 0 dist 8.81999 4.83248 9.33755 10.2069 8.56972 8.87606 numMergedOcc 0
28 mol 294 unq 1 iso 0 dist 4.83062 4.83248 6.25334 10.2069 9.32087 8.87606 numMergedOcc 0
29 mol 294 unq 2 iso 0 dist 8.65363 9.56783 6.25334 16.0466 9.32087 8.87606 numMergedOcc 0
