0 mol 26 unq 0 iso 0 dist 8.07937 5.272 6.58799 14.9314 6.88695 12.7979 10.6139 5.3315 7.42841 8.34347 numMergedOcc 0
1 mol 38 unq 0 iso 0 dist 9.49676 7.98333 12.6215 6.12182 5.73067 12.6659 8.19077 5.79134 9.58231 7.50293 numMergedOcc 0
2 mol 38 unq 1 iso 0 dist 9.49676 7.98333 12.6215 6.12182 5.73067 12.6659 13.1327 5.48241 14.6297 9.91611 numMergedOcc 0
3 mol 58 unq 0 iso 0 dist 5.35101 6.89262 7.7624 7.71984 6.36193 12.9181 9.74058 5.40367 12.965 6.62496 numMergedOcc 0
4 mol 58 unq 1 iso 0 dist 5.35101 6.89262 7.7624 4.67517 4.88613 10.671 9.74058 5.40367 12.965 6.35756 numMergedOcc 0
5 mol 58 unq 2 iso 0 dist 5.35101 7.93406 7.63046 7.71984 6.36193 7.84983 9.74058 5.40367 11.5882 6.62496 numMergedOcc 0
6 mol 58 unq 3 iso 0 dist 5.35101 7.93406 7.63046 4.67517 4.88613 9.56737 9.74058 5.40367 11.5882 6.35756 numMergedOcc 0
7 mol 58 unq 4 iso 0 dist 8.68381 6.50646 7.7624 12.5529 6.36193 12.9181 12.818 5.40367 12.965 6.62496 numMergedOcc 0
8 mol 58 unq 5 iso 0 dist 8.68381 6.50646 7.7624 8.47822 4.88613 10.671 12.818 5.40367 12.965 6.35756 numMergedOcc 0
9 mol 61 unq 0 iso 0 dist 8.65313 9.97224 14.6641 8.19638 9.22002 16.7152 11.2566 6.16737 19.3208 6.65721 numMergedOcc 0
10 mol 61 unq 1 iso 0 dist 8.65313 9.97224 14.6641 7.43426 7.52103 17.053 11.2566 6.16737 19.3208 6.72123 numMergedOcc 0
11 mol 133 unq 0 iso 0 dist 5.7232 9.18505 4.70999 8.76089 9.50322 12.7635 8.94909 5.37072 6.73114 7.11802 numMergedOcc 0
12 mol 133 unq 1 iso 0 dist 5.7232 9.18505 4.70999 6.80087 5.82404 10.4418 12.8006 10.2385 13.8525 6.29155 numMergedOcc 0
13 mol 133 unq 2 iso 0 dist 5.7232 9.18505 4.70999 6.80087 5.82404 10.4418 9.73536 4.64588 6.43447 6.80239 numMergedOcc 0
14 mol 133 unq 3 iso 0 dist 5.7232 9.18505 4.70999 6.80087 5.82404 10.4418 8.94909 5.37072 6.73114 8.00618 numMergedOcc 0
15 mol 236 unq 0 iso 0 dist 4.43243 6.02845 6.46022 5.03598 5.66569 9.90092 11.0371 11.2013 16.3852 9.99038 numMergedOcc 0
16 mol 236 unq 1 iso 0 dist 4.43243 6.02845 6.46022 5.03598 5.66569 9.90092 5.99137 4.15973 9.92965 6.27581 numMergedOcc 0
17 mol 236 unq 2 iso 0 dist 4.43243 9.35599 11.3284 5.03598 5.66569 14.0237 11.0371 11.2013 19.3144 9.99038 numMergedOcc 0
18 mol 236 unq 3 iso 0 dist 4.43243 9.35599 11.3284 5.03598 5.66569 14.0237 5.99137 4.15973 13.9306 6.27581 numMergedOcc 0
19 mol 236 unq 4 iso 0 dist 5.92025 6.02845 5.972 5.03598 6.11137 9.90092 11.0371 15.1664 16.3852 9.99038 numMergedOcc 0
20 mol 236 unq 5 iso 0 dist 5.92025 6.02845 5.972 5.03598 6.11137 9.90092 5.99137 9.01197 9.92965 6.27581 numMergedOcc 0
21 mol 236 unq 6 iso 0 dist 5.92025 9.35599 10.9042 5.03598 6.11137 14.0237 11.0371 15.1664 19.3144 9.99038 numMergedOcc 0
22 mol 236 unq 7 iso 0 dist 5.92025 9.35599 10.9042 5.03598 6.11137 14.0237 5.99137 9.01197 13.9306 6.27581 numMergedOcc 0
23 mol 238 unq 0 iso 0 dist 9.61428 5.59164 4.34203 5.77573 9.13537 6.83152 12.0065 10.3859 10.8336 6.57393 numMergedOcc 0
24 mol 241 unq 0 iso 0 dist 9.33399 9.744 5.37052 10.1832 9.10633 11.8952 14.333 7.20238 11.0937 7.4631 numMergedOcc 0
25 mol 241 unq 1 iso 0 dist 9.33399 7.62827 4.58303 10.1832 9.10633 11.8978 14.333 7.20238 11.485 7.4631 numMergedOcc 0
26 mol 258 unq 0 iso 0 dist 8.62592 8.8726 3.95075 6.60345 5.73834 8.58088 11.1218 6.48867 10.221 6.60405 numMergedOcc 0
27 mol 258 unq 1 iso 0 dist 8.62592 8.8726 3.95075 6.60345 5.73834 8.58088 5.31858 7.52881 9.22664 6.42289 numMergedOcc 0
28 mol 259 unq 0 iso 0 dist 8.93002 8.87598 5.30516 5.56656 8.06771 10.8647 5.29682 6.64729 6.59107 8.13497 numMergedOcc 0
29 mol 259 unq 1 iso 0 dist 8.93002 8.87598 5.30516 5.56656 8.06771 10.8647 6.20344 9.79538 11.1778 7.88519 numMergedOcc 0
30 mol 259 unq 2 iso 0 dist 6.83706 8.13376 4.77489 9.03495 6.42725 10.0766 10.0986 8.70769 13.3027 5.30224 numMergedOcc 0
31 mol 265 unq 0 iso 0 dist 6.98451 5.14122 4.86847 11.5105 9.772 13.4214 8.59825 5.75478 7.8929 8.4218 numMergedOcc 0
