0 mol 5 unq 0 iso 0 dist 9.22067 11.9525 6.14476 9.65891 8.34817 4.70478 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 8.49537 4.66108 6.14476 7.69461 8.34817 4.70478 numMergedOcc 0
2 mol 11 unq 0 iso 0 dist 5.47299 10.0791 6.84216 12.9682 9.89425 4.10106 numMergedOcc 0
3 mol 26 unq 0 iso 0 dist 6.70325 5.71065 7.98005 4.80254 8.97754 7.11305 numMergedOcc 0
4 mol 32 unq 0 iso 0 dist 7.72377 8.67041 8.91596 9.9172 8.78511 10.7345 numMergedOcc 0
5 mol 34 unq 0 iso 0 dist 5.68794 9.83264 9.99939 4.76075 7.34832 7.7766 numMergedOcc 0
6 mol 34 unq 1 iso 0 dist 8.9964 13.7592 9.99939 6.64474 7.34832 7.7766 numMergedOcc 0
7 mol 46 unq 0 iso 0 dist 7.44805 14.8682 9.45756 3.66253 5.4713 12.3186 numMergedOcc 0
8 mol 58 unq 0 iso 0 dist 9.33736 9.07666 9.23438 6.02257 9.10675 13.5805 numMergedOcc 0
9 mol 58 unq 1 iso 0 dist 9.33736 5.93193 7.17488 6.02257 9.10675 10.0669 numMergedOcc 0
10 mol 58 unq 2 iso 0 dist 9.33736 5.72191 6.79356 6.02257 9.10675 4.00553 numMergedOcc 0
11 mol 85 unq 0 iso 0 dist 8.67342 7.96997 7.69926 7.74857 4.29937 6.92455 numMergedOcc 0
12 mol 85 unq 1 iso 0 dist 8.67342 7.96997 7.69926 10.4876 3.65628 7.01366 numMergedOcc 0
13 mol 85 unq 2 iso 0 dist 8.67342 7.96997 7.69926 18.2213 9.77774 14.8822 numMergedOcc 0
14 mol 85 unq 3 iso 0 dist 8.60062 7.96997 5.85237 7.74857 5.37869 6.92455 numMergedOcc 0
15 mol 85 unq 4 iso 0 dist 8.60062 7.96997 5.85237 10.4876 4.05415 7.01366 numMergedOcc 0
16 mol 85 unq 5 iso 0 dist 8.60062 7.96997 5.85237 18.2213 9.97944 14.8822 numMergedOcc 0
17 mol 85 unq 6 iso 0 dist 8.60062 14.6422 9.11768 7.74857 5.37869 8.32224 numMergedOcc 0
18 mol 85 unq 7 iso 0 dist 8.60062 14.6422 9.11768 10.4876 4.05415 6.15019 numMergedOcc 0
19 mol 85 unq 8 iso 0 dist 8.60062 14.6422 9.11768 18.2213 9.97944 12.6518 numMergedOcc 0
20 mol 85 unq 9 iso 0 dist 5.73739 9.51195 7.69926 9.36582 4.29937 6.92455 numMergedOcc 0
21 mol 85 unq 10 iso 0 dist 5.73739 9.51195 7.69926 8.8983 3.65628 7.01366 numMergedOcc 0
22 mol 85 unq 11 iso 0 dist 5.73739 9.51195 7.69926 11.1809 9.77774 14.8822 numMergedOcc 0
23 mol 85 unq 12 iso 0 dist 5.16225 9.51195 5.85237 9.36582 5.37869 6.92455 numMergedOcc 0
24 mol 85 unq 13 iso 0 dist 5.16225 9.51195 5.85237 8.8983 4.05415 7.01366 numMergedOcc 0
25 mol 85 unq 14 iso 0 dist 5.16225 9.51195 5.85237 11.1809 9.97944 14.8822 numMergedOcc 0
26 mol 85 unq 15 iso 0 dist 5.16225 14.228 9.11768 9.36582 5.37869 8.32224 numMergedOcc 0
27 mol 85 unq 16 iso 0 dist 5.16225 14.228 9.11768 8.8983 4.05415 6.15019 numMergedOcc 0
28 mol 85 unq 17 iso 0 dist 5.16225 14.228 9.11768 11.1809 9.97944 12.6518 numMergedOcc 0
29 mol 142 unq 0 iso 0 dist 6.81144 9.15453 8.04118 4.65943 5.42679 4.67662 numMergedOcc 0
30 mol 142 unq 1 iso 0 dist 6.81144 9.78965 8.39035 4.65943 5.42679 5.81599 numMergedOcc 0
31 mol 147 unq 0 iso 0 dist 6.52283 10.3316 8.39897 4.13896 7.7464 8.57851 numMergedOcc 0
32 mol 147 unq 1 iso 0 dist 6.52283 10.3316 8.39897 4.74732 5.12272 10.5361 numMergedOcc 0
33 mol 147 unq 2 iso 0 dist 6.52283 11.8169 9.03078 4.13896 7.7464 9.14906 numMergedOcc 0
34 mol 147 unq 3 iso 0 dist 6.52283 11.8169 9.03078 4.74732 5.12272 8.88819 numMergedOcc 0
35 mol 198 unq 0 iso 0 dist 7.95437 9.33462 9.7657 4.58443 7.04521 12.1607 numMergedOcc 0
36 mol 228 unq 0 iso 0 dist 9.45974 12.8654 9.25785 4.6339 8.92379 9.3302 numMergedOcc 0
37 mol 228 unq 1 iso 0 dist 9.86348 13.0265 9.01231 4.61961 9.06403 9.39743 numMergedOcc 0
38 mol 251 unq 0 iso 0 dist 7.90148 10.2078 8.45764 4.66259 7.72528 11.5298 numMergedOcc 0
39 mol 251 unq 1 iso 0 dist 9.49019 8.97986 8.45764 14.1642 7.72528 11.5298 numMergedOcc 0
40 mol 256 unq 0 iso 0 dist 9.49634 11.8163 4.80903 9.16183 7.32564 6.30188 numMergedOcc 0
