0 mol 7 unq 0 iso 0 dist 8.05125 7.15434 9.17482 15.7038 9.28571 17.036 numMergedOcc 0
1 mol 30 unq 0 iso 0 dist 6.59376 7.53042 7.12759 4.04985 7.98327 10.9024 numMergedOcc 0
2 mol 56 unq 0 iso 0 dist 8.0757 8.40931 3.73188 8.97054 9.8958 12.9423 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 6.7939 8.16299 7.80518 12.5626 8.44695 8.27015 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 6.7939 8.16299 7.80518 12.3241 5.68894 12.2721 numMergedOcc 0
5 mol 73 unq 2 iso 0 dist 6.85356 8.16299 11.6012 12.3241 7.32265 12.2721 numMergedOcc 0
6 mol 73 unq 3 iso 0 dist 8.44695 8.27015 7.80518 12.5626 6.7939 8.16299 numMergedOcc 0
7 mol 73 unq 4 iso 0 dist 8.44695 8.27015 7.80518 9.3197 5.68894 12.2721 numMergedOcc 0
8 mol 76 unq 0 iso 0 dist 9.225 8.41567 6.80777 8.15383 9.52666 6.62246 numMergedOcc 0
9 mol 76 unq 1 iso 0 dist 9.225 5.56964 9.95835 8.15383 9.52666 12.885 numMergedOcc 0
10 mol 76 unq 2 iso 0 dist 9.52666 6.62246 6.80777 8.15383 9.225 8.41567 numMergedOcc 0
11 mol 98 unq 0 iso 0 dist 6.62952 5.85841 4.75433 5.4823 4.3521 6.78839 numMergedOcc 0
12 mol 98 unq 1 iso 0 dist 6.62952 7.00285 11.5098 5.4823 4.3521 8.02354 numMergedOcc 0
13 mol 98 unq 2 iso 0 dist 4.3521 6.78839 4.75433 5.4823 6.62952 5.85841 numMergedOcc 0
14 mol 98 unq 3 iso 0 dist 4.3521 8.02354 11.5098 5.4823 6.62952 7.00285 numMergedOcc 0
15 mol 98 unq 4 iso 0 dist 7.14505 9.00692 6.07909 3.39244 4.7588 6.26542 numMergedOcc 0
16 mol 98 unq 5 iso 0 dist 7.14505 7.62058 9.02353 3.39244 4.7588 7.02765 numMergedOcc 0
17 mol 98 unq 6 iso 0 dist 4.7588 6.26542 6.07909 3.39244 7.14505 9.00692 numMergedOcc 0
18 mol 98 unq 7 iso 0 dist 4.7588 7.02765 9.02353 3.39244 7.14505 7.62058 numMergedOcc 0
19 mol 101 unq 0 iso 0 dist 7.11476 9.3485 4.59715 6.21457 9.60223 12.151 numMergedOcc 0
20 mol 125 unq 0 iso 0 dist 8.75402 7.76202 5.87414 10.6764 8.48363 13.084 numMergedOcc 0
21 mol 125 unq 1 iso 0 dist 8.48363 6.03557 6.10523 10.6764 8.75402 13.0388 numMergedOcc 0
22 mol 134 unq 0 iso 0 dist 6.00896 6.54987 4.8408 10.0801 8.15734 10.1361 numMergedOcc 0
23 mol 172 unq 0 iso 0 dist 7.44084 7.34586 5.79462 5.65773 5.28889 5.5139 numMergedOcc 0
24 mol 172 unq 1 iso 0 dist 7.77643 7.34586 8.10512 5.65773 4.90175 5.5139 numMergedOcc 0
25 mol 172 unq 2 iso 0 dist 5.28889 9.54849 10.0276 5.65773 7.44084 13.1748 numMergedOcc 0
26 mol 172 unq 3 iso 0 dist 5.28889 5.5139 5.79462 5.65773 7.44084 7.34586 numMergedOcc 0
27 mol 172 unq 4 iso 0 dist 4.90175 9.54849 10.6482 5.65773 7.77643 13.1748 numMergedOcc 0
28 mol 172 unq 5 iso 0 dist 4.90175 5.5139 8.10512 5.65773 7.77643 7.34586 numMergedOcc 0
29 mol 209 unq 0 iso 0 dist 6.74526 6.14896 7.34962 5.1282 8.68691 9.12289 numMergedOcc 0
30 mol 209 unq 1 iso 0 dist 8.12326 6.14896 7.61997 5.1282 7.37014 9.12289 numMergedOcc 0
31 mol 209 unq 2 iso 0 dist 8.12326 6.14896 7.61997 9.5473 8.20431 10.795 numMergedOcc 0
32 mol 209 unq 3 iso 0 dist 8.68691 9.12289 7.34962 5.1282 6.74526 6.14896 numMergedOcc 0
33 mol 209 unq 4 iso 0 dist 7.37014 9.12289 7.61997 5.1282 8.12326 6.14896 numMergedOcc 0
34 mol 209 unq 5 iso 0 dist 7.37014 9.12289 7.61997 5.35106 8.20431 10.795 numMergedOcc 0
35 mol 230 unq 0 iso 0 dist 9.32781 5.62804 9.33469 10.6003 7.66323 10.8539 numMergedOcc 0
36 mol 230 unq 1 iso 0 dist 9.32781 9.3619 14.1107 10.6003 7.66323 16.2574 numMergedOcc 0
37 mol 274 unq 0 iso 0 dist 9.11322 8.30175 4.54436 11.9584 8.76302 12.8754 numMergedOcc 0
38 mol 277 unq 0 iso 0 dist 6.40125 7.07459 12.8864 11.8204 7.25282 18.4178 numMergedOcc 0
39 mol 277 unq 1 iso 0 dist 7.25282 8.82899 8.31543 11.8204 6.40125 14.0486 numMergedOcc 0
