0 mol 26 unq 0 iso 0 dist 5.29367 8.07937 4.02057 4.88554 8.97566 12.5265 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 5.29367 8.07937 4.02057 8.73565 8.81085 11.1296 numMergedOcc 0
2 mol 26 unq 2 iso 0 dist 8.07937 5.29367 4.02057 13.3615 7.89667 10.9297 numMergedOcc 0
3 mol 30 unq 0 iso 0 dist 6.30807 5.90481 7.5925 9.29547 5.80534 12.1447 numMergedOcc 0
4 mol 67 unq 0 iso 0 dist 5.16558 9.62459 5.32316 7.68524 8.4702 12.9343 numMergedOcc 0
5 mol 78 unq 0 iso 0 dist 8.61468 6.27186 3.93133 13.4907 8.48827 8.03895 numMergedOcc 0
6 mol 78 unq 1 iso 0 dist 8.61468 6.27186 3.93133 10.4533 7.14048 5.68873 numMergedOcc 0
7 mol 78 unq 2 iso 0 dist 6.27186 8.61468 3.93133 13.4907 8.03895 8.48827 numMergedOcc 0
8 mol 78 unq 3 iso 0 dist 6.27186 8.61468 3.93133 10.4533 5.68873 7.14048 numMergedOcc 0
9 mol 93 unq 0 iso 0 dist 8.84466 9.2948 16.5604 13.6305 5.10693 20.3732 numMergedOcc 0
10 mol 93 unq 1 iso 0 dist 8.84466 9.2948 16.5604 14.1431 6.58814 19.7203 numMergedOcc 0
11 mol 93 unq 2 iso 0 dist 8.84466 9.2948 16.5604 3.99275 6.13459 12.7932 numMergedOcc 0
12 mol 93 unq 3 iso 0 dist 8.84466 9.2948 16.5604 6.46195 7.54391 11.756 numMergedOcc 0
13 mol 103 unq 0 iso 0 dist 9.42444 9.64736 7.56588 9.06356 8.60172 14.4114 numMergedOcc 0
14 mol 128 unq 0 iso 0 dist 9.35162 8.54297 6.8513 13.5215 8.46801 15.0673 numMergedOcc 0
15 mol 133 unq 0 iso 0 dist 5.59311 9.22456 5.01776 4.88335 8.22722 12.3822 numMergedOcc 0
16 mol 133 unq 1 iso 0 dist 5.59311 5.7232 10.5425 4.88335 8.22722 8.52036 numMergedOcc 0
17 mol 133 unq 2 iso 0 dist 5.7232 5.59311 10.5425 4.88335 8.52036 8.22722 numMergedOcc 0
18 mol 133 unq 3 iso 0 dist 5.7232 9.22456 12.3753 4.88335 8.52036 12.3822 numMergedOcc 0
19 mol 151 unq 0 iso 0 dist 8.29454 8.25396 6.82905 5.81096 8.89982 6.12972 numMergedOcc 0
20 mol 151 unq 1 iso 0 dist 8.25396 8.29454 6.82905 5.81096 6.12972 8.89982 numMergedOcc 0
21 mol 152 unq 0 iso 0 dist 7.69136 9.30912 5.38362 5.63285 9.28062 12.6622 numMergedOcc 0
22 mol 183 unq 0 iso 0 dist 8.58404 8.1126 3.75614 11.9399 7.16035 9.61725 numMergedOcc 0
23 mol 183 unq 1 iso 0 dist 8.58404 8.1126 3.75614 9.29513 6.2675 9.52042 numMergedOcc 0
24 mol 183 unq 2 iso 0 dist 8.1126 8.58404 3.75614 11.9399 9.61725 7.16035 numMergedOcc 0
25 mol 183 unq 3 iso 0 dist 8.1126 8.58404 3.75614 9.29513 9.52042 6.2675 numMergedOcc 0
26 mol 185 unq 0 iso 0 dist 6.06763 7.5578 5.81461 8.94859 9.1549 13.3509 numMergedOcc 0
27 mol 287 unq 0 iso 0 dist 7.90634 7.75212 10.5217 4.12505 6.16127 10.9831 numMergedOcc 0
28 mol 287 unq 1 iso 0 dist 8.19213 5.80664 8.46742 3.76412 8.82649 7.35776 numMergedOcc 0
29 mol 287 unq 2 iso 0 dist 5.80664 8.19213 8.46742 3.76412 7.35776 8.82649 numMergedOcc 0
30 mol 287 unq 3 iso 0 dist 5.80664 8.19213 8.46742 5.39384 9.59195 12.9568 numMergedOcc 0
31 mol 288 unq 0 iso 0 dist 7.90634 7.75212 10.5217 4.12505 6.16127 10.9831 numMergedOcc 0
32 mol 288 unq 1 iso 0 dist 8.19213 5.80664 8.46742 3.76412 8.82649 7.35776 numMergedOcc 0
33 mol 288 unq 2 iso 0 dist 5.80664 8.19213 8.46742 3.76412 7.35776 8.82649 numMergedOcc 0
34 mol 288 unq 3 iso 0 dist 5.80664 8.19213 8.46742 5.39384 9.59195 12.9568 numMergedOcc 0
35 mol 289 unq 0 iso 0 dist 7.90634 7.75212 10.5217 4.12505 6.16127 10.9831 numMergedOcc 0
36 mol 289 unq 1 iso 0 dist 8.19213 5.80664 8.46742 3.76412 8.82649 7.35776 numMergedOcc 0
37 mol 289 unq 2 iso 0 dist 5.80664 8.19213 8.46742 3.76412 7.35776 8.82649 numMergedOcc 0
38 mol 289 unq 3 iso 0 dist 5.80664 8.19213 8.46742 5.39384 9.59195 12.9568 numMergedOcc 0
