0 mol 24 unq 0 iso 0 dist 6.86014 7.95042 5.69214 6.58998 10.7114 8.24948 8.52463 7.29868 5.80953 6.99746 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 8.86116 7.95042 5.11636 6.58998 6.72502 8.24948 8.52463 8.60554 5.80953 6.99746 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 7.36323 7.27472 5.50396 10.0655 11.9933 7.96195 6.38336 8.23446 4.44526 9.22115 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 7.36323 7.27472 5.50396 10.0655 11.9933 7.96195 6.7828 8.75662 9.586 9.15493 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 9.33898 7.06939 4.3481 6.08245 6.61823 6.9223 9.44576 9.75237 6.87506 8.67827 numMergedOcc 0
5 mol 92 unq 1 iso 0 dist 9.33898 7.06939 4.3481 6.86728 6.49956 7.0561 9.44576 9.75237 6.87506 13.0818 numMergedOcc 0
6 mol 92 unq 2 iso 0 dist 9.64443 9.36001 5.31547 7.24315 6.61823 6.98037 13.9524 9.75237 6.59716 8.67827 numMergedOcc 0
7 mol 98 unq 0 iso 0 dist 5.08437 5.10496 3.9764 7.32662 7.26086 8.75597 7.94178 11.3043 9.84703 8.02554 numMergedOcc 0
8 mol 98 unq 1 iso 0 dist 5.08437 5.10496 3.9764 7.32662 7.26086 8.75597 4.4057 6.65501 4.62494 11.2092 numMergedOcc 0
9 mol 98 unq 2 iso 0 dist 5.08437 5.10496 3.9764 12.3881 12.285 9.18457 7.94178 11.3043 9.84703 16.2968 numMergedOcc 0
10 mol 98 unq 3 iso 0 dist 5.08437 5.10496 3.9764 12.3881 12.285 9.18457 4.4057 6.65501 4.62494 8.26478 numMergedOcc 0
11 mol 98 unq 4 iso 0 dist 6.48948 5.92242 3.9764 13.4985 7.26086 8.75597 15.7178 11.3043 9.84703 8.02554 numMergedOcc 0
12 mol 98 unq 5 iso 0 dist 6.48948 5.92242 3.9764 13.4985 7.26086 8.75597 7.42446 6.65501 4.62494 11.2092 numMergedOcc 0
13 mol 98 unq 6 iso 0 dist 6.48948 5.92242 3.9764 7.89505 12.285 9.18457 15.7178 11.3043 9.84703 16.2968 numMergedOcc 0
14 mol 98 unq 7 iso 0 dist 6.48948 5.92242 3.9764 7.89505 12.285 9.18457 7.42446 6.65501 4.62494 8.26478 numMergedOcc 0
15 mol 98 unq 8 iso 0 dist 6.10456 7.54889 10.4782 13.9572 15.6191 6.83746 9.85543 11.3043 9.25444 14.6934 numMergedOcc 0
16 mol 98 unq 9 iso 0 dist 6.10456 7.54889 10.4782 13.9572 15.6191 6.83746 9.67482 6.65501 8.46823 11.4207 numMergedOcc 0
17 mol 98 unq 10 iso 0 dist 6.10456 7.54889 10.4782 13.1975 12.285 9.14707 9.67482 6.65501 8.46823 8.26478 numMergedOcc 0
18 mol 98 unq 11 iso 0 dist 6.10456 7.54889 10.4782 13.1975 12.285 9.14707 9.85543 11.3043 9.25444 16.2968 numMergedOcc 0
19 mol 98 unq 12 iso 0 dist 6.10456 5.2571 3.9764 6.934 7.26086 8.75597 9.85543 11.3043 9.84703 8.02554 numMergedOcc 0
20 mol 98 unq 13 iso 0 dist 6.10456 5.2571 3.9764 6.934 7.26086 8.75597 9.67482 6.65501 4.62494 11.2092 numMergedOcc 0
21 mol 98 unq 14 iso 0 dist 6.10456 5.2571 3.9764 13.1975 12.285 9.18457 9.85543 11.3043 9.84703 16.2968 numMergedOcc 0
22 mol 98 unq 15 iso 0 dist 6.10456 5.2571 3.9764 13.1975 12.285 9.18457 9.67482 6.65501 4.62494 8.26478 numMergedOcc 0
23 mol 119 unq 0 iso 0 dist 8.73993 7.64052 9.68677 3.78311 7.77116 9.57341 12.0175 17.8739 8.67537 14.8901 numMergedOcc 0
24 mol 119 unq 1 iso 0 dist 9.87172 6.99446 6.20019 4.99056 13.1741 9.57341 10.8661 11.5311 8.67537 14.8901 numMergedOcc 0
25 mol 119 unq 2 iso 0 dist 6.18601 8.95212 4.39676 13.52 12.6868 9.57341 5.13589 6.73586 8.67537 14.8901 numMergedOcc 0
26 mol 143 unq 0 iso 0 dist 5.99315 5.37047 4.78563 9.23795 7.25673 8.612 6.48978 7.78652 5.06564 6.60479 numMergedOcc 0
27 mol 143 unq 1 iso 0 dist 5.99315 5.37047 4.78563 9.23795 7.25673 8.612 5.20762 8.91301 7.5373 7.54337 numMergedOcc 0
28 mol 170 unq 0 iso 0 dist 9.76807 9.51256 4.78249 7.72147 8.15099 5.13268 4.34698 6.35982 6.47164 7.29587 numMergedOcc 0
29 mol 170 unq 1 iso 0 dist 9.76807 9.51256 4.78249 7.72147 8.15099 5.13268 5.75144 7.51126 9.65126 8.73585 numMergedOcc 0
30 mol 224 unq 0 iso 0 dist 6.61986 8.08349 5.13732 4.59567 8.37597 8.54702 10.7174 10.0553 5.05368 10.0385 numMergedOcc 0
31 mol 227 unq 0 iso 0 dist 7.22101 5.23634 5.0317 10.5813 8.03442 9.43618 6.35849 7.43071 9.18728 12.8075 numMergedOcc 0
32 mol 227 unq 1 iso 0 dist 7.22101 5.23634 5.0317 10.5813 8.03442 9.43618 10.9607 5.41321 8.91971 4.59123 numMergedOcc 0
33 mol 227 unq 2 iso 0 dist 8.65997 6.91318 5.0317 7.22396 8.03442 9.43618 10.204 7.43071 9.18728 12.8075 numMergedOcc 0
34 mol 227 unq 3 iso 0 dist 8.65997 6.91318 5.0317 7.22396 8.03442 9.43618 9.72615 5.41321 8.91971 4.59123 numMergedOcc 0
35 mol 227 unq 4 iso 0 dist 7.09863 5.23634 5.83175 10.5813 12.2278 9.43618 6.35849 6.02296 9.18728 12.8075 numMergedOcc 0
36 mol 227 unq 5 iso 0 dist 7.09863 5.23634 5.83175 10.5813 12.2278 9.43618 10.9607 9.74265 8.91971 4.59123 numMergedOcc 0
37 mol 234 unq 0 iso 0 dist 9.45496 7.81215 12.4252 11.113 18.9709 9.08151 10.0059 17.6227 7.77911 9.35405 numMergedOcc 0
38 mol 234 unq 1 iso 0 dist 6.7625 7.81215 5.75498 11.113 11.968 9.08151 10.0059 12.6238 7.77911 9.35405 numMergedOcc 0
39 mol 239 unq 0 iso 0 dist 6.16342 6.73665 10.6736 13.1624 18.6283 8.88763 11.169 11.308 8.95511 16.7674 numMergedOcc 0
40 mol 239 unq 1 iso 0 dist 6.16342 6.73665 10.6736 13.1624 18.6283 8.88763 5.88931 10.3435 5.85002 9.48848 numMergedOcc 0
41 mol 239 unq 2 iso 0 dist 6.16342 6.73665 10.6736 7.34872 13.3923 6.43209 11.169 11.308 8.95511 13.3917 numMergedOcc 0
42 mol 239 unq 3 iso 0 dist 6.16342 6.73665 10.6736 7.34872 13.3923 6.43209 5.88931 10.3435 5.85002 6.77384 numMergedOcc 0
43 mol 239 unq 4 iso 0 dist 6.16342 6.73665 10.6736 8.9361 13.1682 8.48769 11.169 11.308 8.95511 9.38172 numMergedOcc 0
44 mol 239 unq 5 iso 0 dist 6.16342 6.73665 10.6736 8.9361 13.1682 8.48769 5.88931 10.3435 5.85002 11.9537 numMergedOcc 0
45 mol 252 unq 0 iso 0 dist 7.19638 7.15764 7.40852 13.9054 10.7615 9.39658 6.35641 11.0831 8.09509 17.2823 numMergedOcc 0
46 mol 252 unq 1 iso 0 dist 7.19638 7.15764 7.40852 7.63376 7.50201 5.9974 6.35641 11.0831 8.09509 12.0545 numMergedOcc 0
