0 mol 48 unq 0 iso 0 dist 6.68961 5.43913 9.40261 8.26877 13.3796 5.62671 numMergedOcc 0
1 mol 48 unq 0 iso 1 dist 6.68961 8.26877 13.3796 5.43913 9.40261 5.62671 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 8.52421 5.26566 3.73169 6.27118 7.15831 5.34678 numMergedOcc 0
3 mol 68 unq 0 iso 1 dist 8.52421 6.27118 7.15831 5.26566 3.73169 5.34678 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 7.69222 9.85386 13.815 4.8983 11.9118 11.6321 numMergedOcc 0
5 mol 73 unq 0 iso 1 dist 7.69222 4.8983 11.9118 9.85386 13.815 11.6321 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 5.82056 9.85386 13.7005 4.8983 10.0644 11.6321 numMergedOcc 0
7 mol 73 unq 1 iso 1 dist 5.82056 4.8983 10.0644 9.85386 13.7005 11.6321 numMergedOcc 0
8 mol 73 unq 2 iso 0 dist 9.09115 9.85386 17.9011 4.8983 12.1501 11.6321 numMergedOcc 0
9 mol 73 unq 2 iso 1 dist 9.09115 4.8983 12.1501 9.85386 17.9011 11.6321 numMergedOcc 0
10 mol 129 unq 0 iso 0 dist 9.31543 4.4077 9.74071 8.4874 6.92699 5.83342 numMergedOcc 0
11 mol 129 unq 0 iso 1 dist 9.31543 8.4874 6.92699 4.4077 9.74071 5.83342 numMergedOcc 0
12 mol 129 unq 1 iso 0 dist 8.85652 4.4077 9.87781 8.4874 9.93375 5.83342 numMergedOcc 0
13 mol 129 unq 1 iso 1 dist 8.85652 8.4874 9.93375 4.4077 9.87781 5.83342 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 6.49577 6.97766 4.79079 4.79423 3.60793 6.13455 numMergedOcc 0
15 mol 186 unq 0 iso 1 dist 6.49577 4.79423 3.60793 6.97766 4.79079 6.13455 numMergedOcc 0
16 mol 192 unq 0 iso 0 dist 5.08603 5.5223 3.41605 8.00501 7.59825 4.98308 numMergedOcc 0
17 mol 192 unq 0 iso 1 dist 5.08603 8.00501 7.59825 5.5223 3.41605 4.98308 numMergedOcc 0
18 mol 192 unq 1 iso 0 dist 9.30889 5.5223 7.90804 8.00501 3.69054 4.98308 numMergedOcc 0
19 mol 192 unq 1 iso 1 dist 9.30889 8.00501 3.69054 5.5223 7.90804 4.98308 numMergedOcc 0
20 mol 211 unq 0 iso 0 dist 8.25586 5.49212 3.50404 9.79135 6.21723 5.04634 numMergedOcc 0
21 mol 211 unq 0 iso 1 dist 8.25586 9.79135 6.21723 5.49212 3.50404 5.04634 numMergedOcc 0
22 mol 266 unq 0 iso 0 dist 7.97711 6.83784 3.14784 6.38519 5.95721 3.00605 numMergedOcc 0
23 mol 266 unq 0 iso 1 dist 7.97711 6.38519 5.95721 6.83784 3.14784 3.00605 numMergedOcc 0
24 mol 277 unq 0 iso 0 dist 9.91103 4.1545 5.9732 4.25172 8.61922 3.41319 numMergedOcc 0
25 mol 277 unq 0 iso 1 dist 9.91103 4.25172 8.61922 4.1545 5.9732 3.41319 numMergedOcc 0
26 mol 277 unq 1 iso 0 dist 7.0603 4.1545 3.79766 4.25172 7.07613 3.41319 numMergedOcc 0
27 mol 277 unq 1 iso 1 dist 7.0603 4.25172 7.07613 4.1545 3.79766 3.41319 numMergedOcc 0
28 mol 285 unq 0 iso 0 dist 5.49829 7.08681 8.34667 4.95596 8.31211 11.9982 numMergedOcc 0
29 mol 285 unq 0 iso 1 dist 5.49829 4.95596 8.31211 7.08681 8.34667 11.9982 numMergedOcc 0
30 mol 285 unq 1 iso 0 dist 5.49829 7.08681 8.34667 6.3508 8.08247 11.9803 numMergedOcc 0
31 mol 285 unq 1 iso 1 dist 5.49829 6.3508 8.08247 7.08681 8.34667 11.9803 numMergedOcc 0
32 mol 285 unq 2 iso 0 dist 5.49829 7.08681 8.34667 8.3005 7.23311 14.1264 numMergedOcc 0
33 mol 285 unq 2 iso 1 dist 5.49829 8.3005 7.23311 7.08681 8.34667 14.1264 numMergedOcc 0
34 mol 285 unq 1 iso 0 dist 5.49829 4.95596 8.31211 6.3508 8.08247 4.87372 numMergedOcc 0
35 mol 285 unq 1 iso 1 dist 5.49829 6.3508 8.08247 4.95596 8.31211 4.87372 numMergedOcc 0
36 mol 285 unq 2 iso 0 dist 5.49829 4.95596 8.31211 8.3005 7.23311 6.95388 numMergedOcc 0
37 mol 285 unq 2 iso 1 dist 5.49829 8.3005 7.23311 4.95596 8.31211 6.95388 numMergedOcc 0
38 mol 285 unq 2 iso 0 dist 5.49829 6.3508 8.08247 8.3005 7.23311 9.46838 numMergedOcc 0
39 mol 285 unq 2 iso 1 dist 5.49829 8.3005 7.23311 6.3508 8.08247 9.46838 numMergedOcc 0
40 mol 285 unq 3 iso 0 dist 6.24134 7.08681 4.98469 4.95596 10.5542 11.9982 numMergedOcc 0
41 mol 285 unq 3 iso 1 dist 6.24134 4.95596 10.5542 7.08681 4.98469 11.9982 numMergedOcc 0
42 mol 285 unq 4 iso 0 dist 6.24134 7.08681 4.98469 6.3508 12.5361 11.9803 numMergedOcc 0
43 mol 285 unq 4 iso 1 dist 6.24134 6.3508 12.5361 7.08681 4.98469 11.9803 numMergedOcc 0
44 mol 285 unq 5 iso 0 dist 6.24134 7.08681 4.98469 8.3005 11.9464 14.1264 numMergedOcc 0
45 mol 285 unq 5 iso 1 dist 6.24134 8.3005 11.9464 7.08681 4.98469 14.1264 numMergedOcc 0
46 mol 285 unq 4 iso 0 dist 6.24134 4.95596 10.5542 6.3508 12.5361 4.87372 numMergedOcc 0
47 mol 285 unq 4 iso 1 dist 6.24134 6.3508 12.5361 4.95596 10.5542 4.87372 numMergedOcc 0
48 mol 285 unq 5 iso 0 dist 6.24134 4.95596 10.5542 8.3005 11.9464 6.95388 numMergedOcc 0
49 mol 285 unq 5 iso 1 dist 6.24134 8.3005 11.9464 4.95596 10.5542 6.95388 numMergedOcc 0
50 mol 285 unq 5 iso 0 dist 6.24134 6.3508 12.5361 8.3005 11.9464 9.46838 numMergedOcc 0
51 mol 285 unq 5 iso 1 dist 6.24134 8.3005 11.9464 6.3508 12.5361 9.46838 numMergedOcc 0
