0 mol 11 unq 0 iso 0 dist 9.53002 8.01262 16.7805 10.9183 8.73067 18.6918 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 9.53002 6.58046 3.56133 10.9183 8.73067 10.0282 numMergedOcc 0
2 mol 15 unq 0 iso 0 dist 9.29358 8.4014 11.1793 9.75966 6.50647 11.1524 numMergedOcc 0
3 mol 19 unq 0 iso 0 dist 8.58657 7.7312 9.61438 13.0631 8.19695 17.191 numMergedOcc 0
4 mol 19 unq 1 iso 0 dist 8.58657 7.7312 9.61438 7.08342 7.02548 12.7679 numMergedOcc 0
5 mol 45 unq 0 iso 0 dist 9.20119 8.27463 3.82801 10.7082 5.55096 9.09185 numMergedOcc 0
6 mol 58 unq 0 iso 0 dist 6.40841 8.34191 3.8375 7.12541 8.71468 12.2293 numMergedOcc 0
7 mol 58 unq 1 iso 0 dist 6.40841 6.39747 6.11446 7.12541 8.71468 9.97953 numMergedOcc 0
8 mol 58 unq 2 iso 0 dist 8.63333 9.23438 4.43437 10.2049 9.11258 6.41008 numMergedOcc 0
9 mol 58 unq 3 iso 0 dist 8.89374 7.17488 4.43437 5.49591 9.11258 6.41008 numMergedOcc 0
10 mol 58 unq 4 iso 0 dist 6.46761 6.79356 4.43437 5.85698 9.11258 6.41008 numMergedOcc 0
11 mol 58 unq 5 iso 0 dist 7.58407 6.79356 9.59066 11.387 8.71468 16.7098 numMergedOcc 0
12 mol 79 unq 0 iso 0 dist 7.87814 5.25027 9.64347 6.54837 5.9249 9.44983 numMergedOcc 0
13 mol 79 unq 1 iso 0 dist 7.87814 4.37025 4.39784 6.54837 5.9249 5.79139 numMergedOcc 0
14 mol 119 unq 0 iso 0 dist 7.39889 4.80684 3.71283 5.92984 7.26955 6.21165 numMergedOcc 0
15 mol 141 unq 0 iso 0 dist 6.93652 7.46621 5.72856 7.42649 5.26989 10.4812 numMergedOcc 0
16 mol 141 unq 1 iso 0 dist 6.93652 7.46621 5.72856 10.6531 7.76442 11.7399 numMergedOcc 0
17 mol 175 unq 0 iso 0 dist 9.52634 9.19156 16.559 6.77832 8.99988 15.721 numMergedOcc 0
18 mol 181 unq 0 iso 0 dist 7.98142 8.29467 9.55459 5.63555 5.97685 12.0951 numMergedOcc 0
19 mol 181 unq 1 iso 0 dist 7.37327 8.29467 7.66761 5.63555 8.9289 12.0951 numMergedOcc 0
20 mol 188 unq 0 iso 0 dist 6.90541 7.86092 4.61059 10.5721 9.33696 8.4784 numMergedOcc 0
21 mol 235 unq 0 iso 0 dist 9.58736 8.08965 14.2299 15.6327 7.31773 20.7685 numMergedOcc 0
22 mol 238 unq 0 iso 0 dist 6.05141 8.94231 3.94343 10.7081 8.09718 10.5377 numMergedOcc 0
23 mol 238 unq 1 iso 0 dist 6.05141 8.94231 3.94343 5.50308 6.73446 9.78013 numMergedOcc 0
24 mol 238 unq 2 iso 0 dist 8.14172 8.88652 12.0336 12.2874 8.90076 10.5377 numMergedOcc 0
25 mol 238 unq 3 iso 0 dist 8.14172 8.88652 12.0336 7.11984 6.62002 9.78013 numMergedOcc 0
26 mol 238 unq 4 iso 0 dist 8.09066 8.88652 3.94343 12.2874 8.09718 10.5377 numMergedOcc 0
27 mol 238 unq 5 iso 0 dist 8.09066 8.88652 3.94343 7.11984 6.73446 9.78013 numMergedOcc 0
28 mol 238 unq 6 iso 0 dist 6.77463 6.46771 12.0336 10.4017 8.90076 10.5377 numMergedOcc 0
29 mol 238 unq 7 iso 0 dist 6.77463 6.46771 12.0336 7.95232 6.62002 9.78013 numMergedOcc 0
30 mol 238 unq 8 iso 0 dist 7.2766 6.46771 3.94343 10.4017 8.09718 10.5377 numMergedOcc 0
31 mol 238 unq 9 iso 0 dist 7.2766 6.46771 3.94343 7.95232 6.73446 9.78013 numMergedOcc 0
32 mol 241 unq 0 iso 0 dist 6.83797 7.52531 7.5936 4.90279 8.00537 11.207 numMergedOcc 0
33 mol 256 unq 0 iso 0 dist 5.24676 4.80903 3.89364 5.28793 7.48269 4.36333 numMergedOcc 0
34 mol 256 unq 1 iso 0 dist 5.24676 4.80903 3.89364 4.99672 6.71249 6.96483 numMergedOcc 0
35 mol 256 unq 2 iso 0 dist 5.24676 4.80903 3.89364 7.7384 9.18903 11.5655 numMergedOcc 0
36 mol 259 unq 0 iso 0 dist 8.37865 9.18798 10.5148 8.75685 8.71497 16.2904 numMergedOcc 0
37 mol 259 unq 1 iso 0 dist 8.37865 8.25897 11.0001 8.75685 8.71497 14.7166 numMergedOcc 0
38 mol 270 unq 0 iso 0 dist 8.25349 8.86399 5.8989 5.43023 7.89388 11.1172 numMergedOcc 0
