0 mol 43 unq 0 iso 0 dist 9.16827 12.092 6.20293 14.9909 8.13395 8.80331 17.3778 8.38399 8.95682 6.18002 numMergedOcc 0
1 mol 59 unq 0 iso 0 dist 7.67586 11.7065 7.71095 18.2379 12.5396 8.84665 16.2522 9.64444 6.73347 4.36133 numMergedOcc 0
2 mol 59 unq 1 iso 0 dist 7.67586 11.7065 7.71095 13.1891 8.19458 8.25513 16.2522 9.64444 6.73347 6.66692 numMergedOcc 0
3 mol 59 unq 2 iso 0 dist 8.97292 14.1347 7.71095 20.4157 12.5396 8.84665 16.5767 9.64444 6.73347 4.36133 numMergedOcc 0
4 mol 59 unq 3 iso 0 dist 8.97292 14.1347 7.71095 17.0558 8.19458 8.25513 16.5767 9.64444 6.73347 6.66692 numMergedOcc 0
5 mol 59 unq 4 iso 0 dist 6.85083 7.35881 7.17396 12.4944 6.05545 9.21998 10.0261 6.90592 8.08618 7.6021 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 8.22406 5.41023 9.64443 13.6801 13.1316 9.33898 8.57012 13.3881 8.91313 17.5889 numMergedOcc 0
7 mol 92 unq 1 iso 0 dist 8.22406 5.41023 9.64443 13.6801 13.1316 9.33898 9.75945 5.90097 8.16392 10.8304 numMergedOcc 0
8 mol 100 unq 0 iso 0 dist 5.09688 12.2879 7.47343 13.6601 8.8807 6.65086 16.7381 12.2861 8.30845 5.80144 numMergedOcc 0
9 mol 100 unq 1 iso 0 dist 5.09688 12.2879 7.47343 13.6601 8.8807 6.65086 20.207 15.5385 8.76378 12.3577 numMergedOcc 0
10 mol 100 unq 2 iso 0 dist 5.09688 12.2879 7.47343 17.6466 12.6515 6.56369 16.7381 12.2861 8.30845 10.0456 numMergedOcc 0
11 mol 100 unq 3 iso 0 dist 5.09688 12.2879 7.47343 17.6466 12.6515 6.56369 20.207 15.5385 8.76378 4.97045 numMergedOcc 0
12 mol 100 unq 4 iso 0 dist 5.09688 12.2879 7.47343 18.8484 13.887 9.30209 16.7381 12.2861 8.30845 6.70236 numMergedOcc 0
13 mol 100 unq 5 iso 0 dist 5.09688 12.2879 7.47343 18.8484 13.887 9.30209 20.207 15.5385 8.76378 10.7791 numMergedOcc 0
14 mol 100 unq 6 iso 0 dist 9.26343 16.4386 7.47343 16.1978 8.8807 6.65086 18.8617 12.2861 8.30845 5.80144 numMergedOcc 0
15 mol 100 unq 7 iso 0 dist 9.26343 16.4386 7.47343 16.1978 8.8807 6.65086 24.7909 15.5385 8.76378 12.3577 numMergedOcc 0
16 mol 100 unq 8 iso 0 dist 9.26343 16.4386 7.47343 21.6939 12.6515 6.56369 18.8617 12.2861 8.30845 10.0456 numMergedOcc 0
17 mol 100 unq 9 iso 0 dist 9.26343 16.4386 7.47343 21.6939 12.6515 6.56369 24.7909 15.5385 8.76378 4.97045 numMergedOcc 0
18 mol 100 unq 10 iso 0 dist 9.26343 16.4386 7.47343 21.5791 13.887 9.30209 18.8617 12.2861 8.30845 6.70236 numMergedOcc 0
19 mol 100 unq 11 iso 0 dist 9.26343 16.4386 7.47343 21.5791 13.887 9.30209 24.7909 15.5385 8.76378 10.7791 numMergedOcc 0
20 mol 129 unq 0 iso 0 dist 8.14071 13.1328 5.83384 16.3001 9.05135 9.61051 11.5412 4.55551 6.28565 6.30169 numMergedOcc 0
21 mol 129 unq 1 iso 0 dist 8.14071 13.1328 5.83384 16.3001 9.05135 9.61051 18.6468 10.5488 7.58957 5.68211 numMergedOcc 0
22 mol 131 unq 0 iso 0 dist 6.38977 6.82985 8.40312 9.69757 5.55373 7.12972 8.74658 7.7567 9.90168 8.23791 numMergedOcc 0
23 mol 131 unq 1 iso 0 dist 6.38977 6.82985 8.40312 12.5659 10.7062 6.85062 8.74658 7.7567 9.90168 13.7237 numMergedOcc 0
24 mol 131 unq 2 iso 0 dist 9.69757 6.82985 7.12972 6.38977 5.55373 8.40312 8.74658 8.23791 9.90168 7.7567 numMergedOcc 0
25 mol 131 unq 3 iso 0 dist 9.69757 6.82985 7.12972 12.5659 6.63273 6.85062 8.74658 8.23791 9.90168 13.7237 numMergedOcc 0
26 mol 134 unq 0 iso 0 dist 6.99089 10.1742 6.54501 9.54911 5.79898 9.89303 11.8229 5.71679 7.69991 4.60632 numMergedOcc 0
27 mol 134 unq 1 iso 0 dist 6.99089 12.6542 6.49416 15.1189 8.80819 8.94367 11.8229 5.71679 6.23142 4.57832 numMergedOcc 0
28 mol 134 unq 2 iso 0 dist 6.99089 12.6542 6.49416 11.6481 5.00817 6.37586 11.8229 5.71679 6.23142 5.29786 numMergedOcc 0
29 mol 156 unq 0 iso 0 dist 7.80643 6.52984 7.44554 12.2418 5.56175 8.94056 11.9646 5.71511 9.4013 6.13574 numMergedOcc 0
30 mol 156 unq 1 iso 0 dist 7.80643 6.52984 7.44554 10.8849 8.38403 9.83699 11.9646 5.71511 9.4013 5.80008 numMergedOcc 0
31 mol 181 unq 0 iso 0 dist 6.07676 6.05039 8.03334 13.5702 13.2049 9.1374 10.1342 7.81713 6.2479 6.6251 numMergedOcc 0
32 mol 181 unq 1 iso 0 dist 6.96824 8.76337 7.63312 14.2075 8.85576 7.81386 14.3125 12.5387 5.94469 7.77758 numMergedOcc 0
33 mol 181 unq 2 iso 0 dist 9.25528 18.2027 9.1374 20.7774 13.2049 8.03334 14.9122 6.6251 6.2479 7.81713 numMergedOcc 0
34 mol 181 unq 3 iso 0 dist 9.25528 11.4901 5.98885 11.3822 10.1912 9.09537 5.6688 5.6044 9.72611 12.9468 numMergedOcc 0
35 mol 181 unq 4 iso 0 dist 9.25528 11.4901 5.98885 11.3822 10.1912 9.09537 14.9122 6.6251 7.99195 10.09 numMergedOcc 0
36 mol 222 unq 0 iso 0 dist 7.14277 4.02914 7.21333 11.6406 13.3522 8.01589 10.6216 7.75656 7.67576 10.3151 numMergedOcc 0
37 mol 222 unq 1 iso 0 dist 7.14277 4.02914 7.21333 11.6406 13.3522 8.01589 12.8566 16.0949 9.82371 8.52017 numMergedOcc 0
38 mol 222 unq 2 iso 0 dist 7.14277 4.02914 7.21333 9.43484 5.24516 7.7699 10.6216 7.75656 7.67576 7.81022 numMergedOcc 0
39 mol 222 unq 3 iso 0 dist 7.14277 4.02914 7.21333 9.43484 5.24516 7.7699 12.8566 16.0949 9.82371 15.7504 numMergedOcc 0
40 mol 227 unq 0 iso 0 dist 9.93154 6.78651 9.34734 10.7118 6.99063 7.22101 5.87056 6.00424 7.43071 6.35849 numMergedOcc 0
41 mol 227 unq 1 iso 0 dist 9.93154 6.78651 9.34734 10.7118 6.99063 7.22101 9.84311 10.7656 5.41321 10.9607 numMergedOcc 0
42 mol 227 unq 2 iso 0 dist 9.93154 6.78651 9.34734 13.6059 7.60506 8.65997 5.87056 6.00424 7.43071 10.204 numMergedOcc 0
43 mol 227 unq 3 iso 0 dist 9.93154 6.78651 9.34734 13.6059 7.60506 8.65997 9.84311 10.7656 5.41321 9.72615 numMergedOcc 0
44 mol 227 unq 4 iso 0 dist 9.93154 6.78651 9.34734 9.18218 7.43198 7.56888 5.87056 6.00424 7.43071 9.76735 numMergedOcc 0
45 mol 227 unq 5 iso 0 dist 9.93154 6.78651 9.34734 9.18218 7.43198 7.56888 9.84311 10.7656 5.41321 5.10635 numMergedOcc 0
46 mol 227 unq 6 iso 0 dist 9.93154 6.78651 9.34734 6.18486 9.51866 7.55216 5.87056 6.00424 7.43071 9.32448 numMergedOcc 0
47 mol 227 unq 7 iso 0 dist 9.93154 6.78651 9.34734 6.18486 9.51866 7.55216 9.84311 10.7656 5.41321 6.48027 numMergedOcc 0
48 mol 227 unq 8 iso 0 dist 9.18218 6.78651 7.56888 9.93154 7.43198 9.34734 5.87056 9.76735 7.43071 6.00424 numMergedOcc 0
49 mol 227 unq 9 iso 0 dist 9.18218 6.78651 7.56888 9.93154 7.43198 9.34734 9.84311 5.10635 5.41321 10.7656 numMergedOcc 0
50 mol 227 unq 10 iso 0 dist 9.18218 6.78651 7.56888 10.7118 10.8658 7.22101 5.87056 9.76735 7.43071 6.35849 numMergedOcc 0
51 mol 227 unq 11 iso 0 dist 9.18218 6.78651 7.56888 10.7118 10.8658 7.22101 9.84311 5.10635 5.41321 10.9607 numMergedOcc 0
52 mol 227 unq 12 iso 0 dist 9.18218 6.78651 7.56888 13.6059 9.70012 8.65997 5.87056 9.76735 7.43071 10.204 numMergedOcc 0
53 mol 227 unq 13 iso 0 dist 9.18218 6.78651 7.56888 13.6059 9.70012 8.65997 9.84311 5.10635 5.41321 9.72615 numMergedOcc 0
54 mol 227 unq 14 iso 0 dist 9.18218 6.78651 7.56888 6.18486 4.48529 7.55216 5.87056 9.76735 7.43071 9.32448 numMergedOcc 0
55 mol 227 unq 15 iso 0 dist 9.18218 6.78651 7.56888 6.18486 4.48529 7.55216 9.84311 5.10635 5.41321 6.48027 numMergedOcc 0
56 mol 227 unq 16 iso 0 dist 6.18486 6.78651 7.55216 9.93154 9.51866 9.34734 5.87056 9.32448 7.43071 6.00424 numMergedOcc 0
57 mol 227 unq 17 iso 0 dist 6.18486 6.78651 7.55216 9.93154 9.51866 9.34734 9.84311 6.48027 5.41321 10.7656 numMergedOcc 0
58 mol 227 unq 18 iso 0 dist 6.18486 6.78651 7.55216 10.7118 12.4689 7.22101 5.87056 9.32448 7.43071 6.35849 numMergedOcc 0
59 mol 227 unq 19 iso 0 dist 6.18486 6.78651 7.55216 10.7118 12.4689 7.22101 9.84311 6.48027 5.41321 10.9607 numMergedOcc 0
60 mol 227 unq 20 iso 0 dist 6.18486 6.78651 7.55216 13.6059 12.9332 8.65997 5.87056 9.32448 7.43071 10.204 numMergedOcc 0
61 mol 227 unq 21 iso 0 dist 6.18486 6.78651 7.55216 13.6059 12.9332 8.65997 9.84311 6.48027 5.41321 9.72615 numMergedOcc 0
62 mol 227 unq 22 iso 0 dist 6.18486 6.78651 7.55216 9.18218 4.48529 7.56888 5.87056 9.32448 7.43071 9.76735 numMergedOcc 0
63 mol 227 unq 23 iso 0 dist 6.18486 6.78651 7.55216 9.18218 4.48529 7.56888 9.84311 6.48027 5.41321 5.10635 numMergedOcc 0
64 mol 261 unq 0 iso 0 dist 7.26647 9.29412 8.43057 10.6622 10.0727 8.02547 12.7339 8.29908 8.43974 5.91643 numMergedOcc 0
65 mol 261 unq 1 iso 0 dist 7.26647 9.29412 8.43057 7.7309 4.63549 6.05727 12.7339 8.29908 8.43974 5.02383 numMergedOcc 0
66 mol 261 unq 2 iso 0 dist 7.7309 9.29412 6.05727 10.6622 5.51688 8.02547 12.7339 5.02383 8.43974 5.91643 numMergedOcc 0
67 mol 261 unq 3 iso 0 dist 7.7309 9.29412 6.05727 7.26647 4.63549 8.43057 12.7339 5.02383 8.43974 8.29908 numMergedOcc 0
68 mol 282 unq 0 iso 0 dist 7.70229 8.93697 8.76532 10.9708 10.0156 8.04483 12.9236 8.12478 9.0975 5.65568 numMergedOcc 0
69 mol 282 unq 1 iso 0 dist 7.70229 8.93697 8.76532 7.90792 4.66602 6.33524 12.9236 8.12478 9.0975 5.0324 numMergedOcc 0
70 mol 282 unq 2 iso 0 dist 7.90792 8.93697 6.33524 10.9708 5.39891 8.04483 12.9236 5.0324 9.0975 5.65568 numMergedOcc 0
71 mol 282 unq 3 iso 0 dist 7.90792 8.93697 6.33524 7.70229 4.66602 8.76532 12.9236 5.0324 9.0975 8.12478 numMergedOcc 0
