0 mol 1 unq 0 iso 0 dist 6.04659 9.40282 9.02078 9.35554 5.27206 13.3466 numMergedOcc 0
1 mol 1 unq 0 iso 1 dist 6.04659 9.35554 5.27206 9.40282 9.02078 13.3466 numMergedOcc 0
2 mol 30 unq 0 iso 0 dist 8.87499 7.15015 6.58841 3.68549 7.19972 5.5577 numMergedOcc 0
3 mol 30 unq 0 iso 1 dist 8.87499 3.68549 7.19972 7.15015 6.58841 5.5577 numMergedOcc 0
4 mol 30 unq 1 iso 0 dist 8.2359 7.15015 11.9061 3.68549 6.67111 5.5577 numMergedOcc 0
5 mol 30 unq 1 iso 1 dist 8.2359 3.68549 6.67111 7.15015 11.9061 5.5577 numMergedOcc 0
6 mol 69 unq 0 iso 0 dist 8.29997 8.27307 5.08122 6.92837 9.69519 8.99811 numMergedOcc 0
7 mol 69 unq 0 iso 1 dist 8.29997 6.92837 9.69519 8.27307 5.08122 8.99811 numMergedOcc 0
8 mol 78 unq 0 iso 0 dist 8.90372 9.29446 13.9318 5.8992 7.73661 11.5966 numMergedOcc 0
9 mol 78 unq 0 iso 1 dist 8.90372 5.8992 7.73661 9.29446 13.9318 11.5966 numMergedOcc 0
10 mol 78 unq 1 iso 0 dist 6.09124 9.29446 4.81535 5.8992 6.83613 11.5966 numMergedOcc 0
11 mol 78 unq 1 iso 1 dist 6.09124 5.8992 6.83613 9.29446 4.81535 11.5966 numMergedOcc 0
12 mol 89 unq 0 iso 0 dist 9.1584 8.85873 10.5017 7.3606 5.20015 6.88931 numMergedOcc 0
13 mol 89 unq 0 iso 1 dist 9.1584 7.3606 5.20015 8.85873 10.5017 6.88931 numMergedOcc 0
14 mol 90 unq 0 iso 0 dist 5.89962 9.25901 10.5837 7.96299 4.53359 9.36098 numMergedOcc 0
15 mol 90 unq 0 iso 1 dist 5.89962 7.96299 4.53359 9.25901 10.5837 9.36098 numMergedOcc 0
16 mol 154 unq 0 iso 0 dist 8.36066 6.44195 6.95651 7.34207 4.41003 9.41666 numMergedOcc 0
17 mol 154 unq 0 iso 1 dist 8.36066 7.34207 4.41003 6.44195 6.95651 9.41666 numMergedOcc 0
18 mol 167 unq 0 iso 0 dist 9.33818 7.9895 13.0008 6.53913 9.37794 9.36756 numMergedOcc 0
19 mol 167 unq 0 iso 1 dist 9.33818 6.53913 9.37794 7.9895 13.0008 9.36756 numMergedOcc 0
20 mol 186 unq 0 iso 0 dist 7.59599 6.0639 9.21913 6.91355 11.6591 6.85436 numMergedOcc 0
21 mol 186 unq 0 iso 1 dist 7.59599 6.91355 11.6591 6.0639 9.21913 6.85436 numMergedOcc 0
22 mol 186 unq 1 iso 0 dist 7.76429 6.0639 11.1768 6.91355 6.22624 6.85436 numMergedOcc 0
23 mol 186 unq 1 iso 1 dist 7.76429 6.91355 6.22624 6.0639 11.1768 6.85436 numMergedOcc 0
24 mol 186 unq 2 iso 0 dist 7.73733 6.0639 7.03438 6.91355 5.22317 6.85436 numMergedOcc 0
25 mol 186 unq 2 iso 1 dist 7.73733 6.91355 5.22317 6.0639 7.03438 6.85436 numMergedOcc 0
26 mol 229 unq 0 iso 0 dist 9.98938 6.32302 4.98446 6.88694 9.9295 5.57838 numMergedOcc 0
27 mol 229 unq 0 iso 1 dist 9.98938 6.88694 9.9295 6.32302 4.98446 5.57838 numMergedOcc 0
28 mol 238 unq 0 iso 0 dist 7.41211 9.39537 15.529 8.97461 5.37535 14.0328 numMergedOcc 0
29 mol 238 unq 0 iso 1 dist 7.41211 8.97461 5.37535 9.39537 15.529 14.0328 numMergedOcc 0
30 mol 238 unq 1 iso 0 dist 7.41211 9.39537 15.529 8.89487 4.14233 15.8898 numMergedOcc 0
31 mol 238 unq 1 iso 1 dist 7.41211 8.89487 4.14233 9.39537 15.529 15.8898 numMergedOcc 0
32 mol 238 unq 1 iso 0 dist 7.41211 8.97461 5.37535 8.89487 4.14233 6.85126 numMergedOcc 0
33 mol 238 unq 1 iso 1 dist 7.41211 8.89487 4.14233 8.97461 5.37535 6.85126 numMergedOcc 0
34 mol 266 unq 0 iso 0 dist 9.00434 6.95233 9.65978 9.61741 18.4434 13.0015 numMergedOcc 0
35 mol 266 unq 0 iso 1 dist 9.00434 9.61741 18.4434 6.95233 9.65978 13.0015 numMergedOcc 0
36 mol 266 unq 1 iso 0 dist 9.00434 6.95233 9.65978 5.61056 13.7874 7.49927 numMergedOcc 0
37 mol 266 unq 1 iso 1 dist 9.00434 5.61056 13.7874 6.95233 9.65978 7.49927 numMergedOcc 0
38 mol 266 unq 1 iso 0 dist 9.00434 9.61741 18.4434 5.61056 13.7874 7.0568 numMergedOcc 0
39 mol 266 unq 1 iso 1 dist 9.00434 5.61056 13.7874 9.61741 18.4434 7.0568 numMergedOcc 0
40 mol 277 unq 0 iso 0 dist 9.581 8.33977 4.627 8.66941 8.52993 7.69449 numMergedOcc 0
41 mol 277 unq 0 iso 1 dist 9.581 8.66941 8.52993 8.33977 4.627 7.69449 numMergedOcc 0
42 mol 277 unq 1 iso 0 dist 6.87362 8.33977 5.07427 8.66941 10.2752 7.69449 numMergedOcc 0
43 mol 277 unq 1 iso 1 dist 6.87362 8.66941 10.2752 8.33977 5.07427 7.69449 numMergedOcc 0
