0 mol 6 unq 0 iso 0 dist 5.17382 9.09373 9.56016 5.56246 8.15992 9.20957 numMergedOcc 0
1 mol 73 unq 0 iso 0 dist 9.1895 11.3011 7.69222 5.18016 9.85386 13.815 numMergedOcc 0
2 mol 73 unq 1 iso 0 dist 9.1895 11.3011 7.69222 11.1255 4.8983 11.9118 numMergedOcc 0
3 mol 73 unq 2 iso 0 dist 9.1895 12.1586 5.82056 5.18016 9.85386 13.7005 numMergedOcc 0
4 mol 73 unq 3 iso 0 dist 9.1895 12.1586 5.82056 11.1255 4.8983 10.0644 numMergedOcc 0
5 mol 73 unq 4 iso 0 dist 9.1895 17.1183 9.09115 5.18016 9.85386 17.9011 numMergedOcc 0
6 mol 73 unq 5 iso 0 dist 9.1895 17.1183 9.09115 11.1255 4.8983 12.1501 numMergedOcc 0
7 mol 73 unq 6 iso 0 dist 4.65445 6.69364 7.69222 8.99414 9.85386 13.815 numMergedOcc 0
8 mol 73 unq 7 iso 0 dist 4.65445 6.69364 7.69222 7.45035 4.8983 11.9118 numMergedOcc 0
9 mol 73 unq 8 iso 0 dist 4.65445 7.01672 5.82056 8.99414 9.85386 13.7005 numMergedOcc 0
10 mol 73 unq 9 iso 0 dist 4.65445 7.01672 5.82056 7.45035 4.8983 10.0644 numMergedOcc 0
11 mol 73 unq 10 iso 0 dist 4.65445 11.8328 9.09115 8.99414 9.85386 17.9011 numMergedOcc 0
12 mol 73 unq 11 iso 0 dist 4.65445 11.8328 9.09115 7.45035 4.8983 12.1501 numMergedOcc 0
13 mol 73 unq 12 iso 0 dist 9.5546 14.1944 7.69222 15.5364 9.85386 13.815 numMergedOcc 0
14 mol 73 unq 13 iso 0 dist 9.5546 14.1944 7.69222 11.0072 4.8983 11.9118 numMergedOcc 0
15 mol 73 unq 14 iso 0 dist 9.5546 11.048 5.82056 15.5364 9.85386 13.7005 numMergedOcc 0
16 mol 73 unq 15 iso 0 dist 9.5546 11.048 5.82056 11.0072 4.8983 10.0644 numMergedOcc 0
17 mol 73 unq 16 iso 0 dist 9.5546 9.48562 9.09115 15.5364 9.85386 17.9011 numMergedOcc 0
18 mol 73 unq 17 iso 0 dist 9.5546 9.48562 9.09115 11.0072 4.8983 12.1501 numMergedOcc 0
19 mol 204 unq 0 iso 0 dist 8.23488 10.1203 5.81438 11.6355 8.77524 5.80328 numMergedOcc 0
20 mol 214 unq 0 iso 0 dist 7.98049 9.73277 8.44407 11.9534 9.46274 15.9748 numMergedOcc 0
21 mol 214 unq 1 iso 0 dist 7.98049 9.93506 6.0155 11.9534 9.46274 10.9698 numMergedOcc 0
22 mol 214 unq 2 iso 0 dist 7.98049 9.65431 8.89981 11.9534 9.46274 5.22858 numMergedOcc 0
23 mol 239 unq 0 iso 0 dist 9.49935 9.79253 5.99355 7.89186 8.99104 7.75074 numMergedOcc 0
24 mol 251 unq 0 iso 0 dist 7.64443 13.0342 8.07576 13.3832 8.15014 3.45567 numMergedOcc 0
25 mol 272 unq 0 iso 0 dist 8.19471 3.87541 5.38409 9.43485 9.87477 6.69425 numMergedOcc 0
26 mol 273 unq 0 iso 0 dist 9.15342 11.3883 8.66133 10.4344 8.13393 9.06868 numMergedOcc 0
27 mol 273 unq 1 iso 0 dist 9.15342 14.5112 6.95569 10.4344 8.13393 11.8515 numMergedOcc 0
28 mol 277 unq 0 iso 0 dist 6.00002 15.5601 9.91103 9.74668 4.1545 5.9732 numMergedOcc 0
29 mol 277 unq 1 iso 0 dist 6.00002 15.5601 9.91103 7.89714 4.25172 8.61922 numMergedOcc 0
30 mol 277 unq 2 iso 0 dist 6.00002 12.9203 7.0603 9.74668 4.1545 3.79766 numMergedOcc 0
31 mol 277 unq 3 iso 0 dist 6.00002 12.9203 7.0603 7.89714 4.25172 7.07613 numMergedOcc 0
32 mol 277 unq 4 iso 0 dist 8.1715 14.7919 9.91103 9.56182 4.1545 5.9732 numMergedOcc 0
33 mol 277 unq 5 iso 0 dist 8.1715 14.7919 9.91103 7.8548 4.25172 8.61922 numMergedOcc 0
34 mol 277 unq 6 iso 0 dist 8.1715 12.996 7.0603 9.56182 4.1545 3.79766 numMergedOcc 0
35 mol 277 unq 7 iso 0 dist 8.1715 12.996 7.0603 7.8548 4.25172 7.07613 numMergedOcc 0
36 mol 285 unq 0 iso 0 dist 6.71883 10.3055 5.49829 13.2048 7.08681 8.34667 numMergedOcc 0
37 mol 285 unq 1 iso 0 dist 6.71883 10.3055 5.49829 4.0507 4.95596 8.31211 numMergedOcc 0
38 mol 285 unq 2 iso 0 dist 6.71883 10.3055 5.49829 8.91965 6.3508 8.08247 numMergedOcc 0
39 mol 285 unq 3 iso 0 dist 6.71883 10.3055 5.49829 7.14533 8.3005 7.23311 numMergedOcc 0
40 mol 285 unq 4 iso 0 dist 6.71883 10.2133 6.24134 13.2048 7.08681 4.98469 numMergedOcc 0
41 mol 285 unq 5 iso 0 dist 6.71883 10.2133 6.24134 4.0507 4.95596 10.5542 numMergedOcc 0
42 mol 285 unq 6 iso 0 dist 6.71883 10.2133 6.24134 8.91965 6.3508 12.5361 numMergedOcc 0
43 mol 285 unq 7 iso 0 dist 6.71883 10.2133 6.24134 7.14533 8.3005 11.9464 numMergedOcc 0
44 mol 287 unq 0 iso 0 dist 9.2745 11.3536 6.06665 9.17126 8.73403 8.63376 numMergedOcc 0
45 mol 288 unq 0 iso 0 dist 9.2745 11.3536 6.06665 9.17126 8.73403 8.63376 numMergedOcc 0
46 mol 289 unq 0 iso 0 dist 9.2745 11.3536 6.06665 9.17126 8.73403 8.63376 numMergedOcc 0
