0 mol 11 unq 0 iso 0 dist 6.84216 10.7734 9.81983 10.0658 3.66215 9.09091 numMergedOcc 0
1 mol 17 unq 0 iso 0 dist 8.70792 4.03817 5.16502 10.0032 8.91991 9.877 numMergedOcc 0
2 mol 18 unq 0 iso 0 dist 8.02753 5.32758 5.59658 13.9014 9.4067 8.80193 numMergedOcc 0
3 mol 26 unq 0 iso 0 dist 7.98005 10.797 9.82851 12.0096 12.6238 7.22361 numMergedOcc 0
4 mol 26 unq 1 iso 0 dist 7.98005 10.797 9.82851 13.2086 7.97596 6.15893 numMergedOcc 0
5 mol 26 unq 2 iso 0 dist 7.98005 10.9837 9.11311 13.2086 7.97596 5.497 numMergedOcc 0
6 mol 58 unq 0 iso 0 dist 9.23438 10.2049 6.41008 17.4911 10.5052 7.6481 numMergedOcc 0
7 mol 58 unq 1 iso 0 dist 9.23438 10.2049 6.41008 8.63333 4.43437 9.11258 numMergedOcc 0
8 mol 58 unq 2 iso 0 dist 7.17488 5.49591 6.41008 12.7237 10.5052 7.6481 numMergedOcc 0
9 mol 58 unq 3 iso 0 dist 7.17488 5.49591 6.41008 8.89374 4.43437 9.11258 numMergedOcc 0
10 mol 58 unq 4 iso 0 dist 6.79356 5.85698 6.41008 10.5905 10.5052 7.6481 numMergedOcc 0
11 mol 58 unq 5 iso 0 dist 6.79356 5.85698 6.41008 6.46761 4.43437 9.11258 numMergedOcc 0
12 mol 79 unq 0 iso 0 dist 5.25027 9.69296 7.56495 16.5694 12.7451 9.63599 numMergedOcc 0
13 mol 79 unq 1 iso 0 dist 5.25027 9.69296 7.56495 9.26357 7.82927 8.01743 numMergedOcc 0
14 mol 79 unq 2 iso 0 dist 4.37025 6.54837 5.79139 7.87814 4.39784 5.9249 numMergedOcc 0
15 mol 79 unq 3 iso 0 dist 4.37025 9.69296 7.63923 16.5694 13.0682 9.63599 numMergedOcc 0
16 mol 79 unq 4 iso 0 dist 4.37025 9.69296 7.63923 9.26357 5.01567 8.01743 numMergedOcc 0
17 mol 119 unq 0 iso 0 dist 4.80684 5.92984 6.21165 7.39889 3.71283 7.26955 numMergedOcc 0
18 mol 119 unq 1 iso 0 dist 7.60162 7.45148 6.21165 10.5042 3.71283 7.26955 numMergedOcc 0
19 mol 134 unq 0 iso 0 dist 6.09063 5.18913 5.13405 9.30812 5.45 6.21403 numMergedOcc 0
20 mol 143 unq 0 iso 0 dist 8.64905 10.4028 7.2932 9.93541 4.19541 9.30424 numMergedOcc 0
21 mol 168 unq 0 iso 0 dist 7.48734 11.7533 6.12453 14.8653 7.8982 7.60254 numMergedOcc 0
22 mol 168 unq 1 iso 0 dist 5.6125 7.32989 6.12453 12.5445 7.8982 7.60254 numMergedOcc 0
23 mol 175 unq 0 iso 0 dist 9.32259 11.6798 4.51777 14.5006 6.54263 9.19117 numMergedOcc 0
24 mol 175 unq 1 iso 0 dist 9.32259 11.6798 4.51777 10.9584 3.63393 6.26365 numMergedOcc 0
25 mol 175 unq 2 iso 0 dist 9.32259 7.68909 4.9606 10.9584 3.63393 7.04177 numMergedOcc 0
26 mol 181 unq 0 iso 0 dist 9.70481 11.85 9.20617 14.8211 10.4087 5.95304 numMergedOcc 0
27 mol 186 unq 0 iso 0 dist 9.65093 7.94756 8.2241 14.4305 6.54455 8.97471 numMergedOcc 0
28 mol 188 unq 0 iso 0 dist 7.86092 10.5721 8.4784 6.90541 4.61059 9.33696 numMergedOcc 0
29 mol 232 unq 0 iso 0 dist 8.25985 4.9377 9.78273 11.4727 12.899 7.17337 numMergedOcc 0
30 mol 253 unq 0 iso 0 dist 8.93741 6.0964 9.82605 13.0511 14.6606 9.58354 numMergedOcc 0
31 mol 256 unq 0 iso 0 dist 4.80903 5.28793 4.36333 5.24676 3.89364 7.48269 numMergedOcc 0
32 mol 256 unq 1 iso 0 dist 4.80903 4.99672 6.96483 5.24676 3.89364 6.71249 numMergedOcc 0
33 mol 277 unq 0 iso 0 dist 5.72327 7.8636 6.23115 10.451 6.50127 6.43034 numMergedOcc 0
34 mol 277 unq 1 iso 0 dist 5.81301 9.87336 6.23115 12.2711 6.50127 6.43034 numMergedOcc 0
35 mol 277 unq 2 iso 0 dist 9.81201 11.4648 6.23115 15.6296 6.50127 6.43034 numMergedOcc 0
