0 mol 7 unq 0 iso 0 dist 8.44333 6.70503 7.78327 9.76051 10.6558 7.88043 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.44333 6.70503 7.78327 9.04663 13.5227 8.80762 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 8.69224 6.44262 7.03372 11.4213 6.32857 5.81959 numMergedOcc 0
3 mol 28 unq 0 iso 0 dist 5.98169 9.50079 8.95154 10.4595 6.37119 7.28416 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 9.85185 4.91291 8.85601 10.7737 13.129 6.61823 numMergedOcc 0
5 mol 92 unq 1 iso 0 dist 9.85185 4.91291 8.85601 10.5569 12.8901 6.49956 numMergedOcc 0
6 mol 98 unq 0 iso 0 dist 5.91023 9.62604 7.92856 13.6766 8.67903 7.26086 numMergedOcc 0
7 mol 119 unq 0 iso 0 dist 6.66313 9.5414 7.60162 13.0889 9.53672 6.98934 numMergedOcc 0
8 mol 119 unq 1 iso 0 dist 6.66313 9.5414 7.60162 14.361 8.90156 7.99623 numMergedOcc 0
9 mol 119 unq 2 iso 0 dist 6.3646 6.77381 7.60162 8.38498 9.53672 6.98934 numMergedOcc 0
10 mol 119 unq 3 iso 0 dist 6.3646 6.77381 7.60162 10.8215 8.90156 7.99623 numMergedOcc 0
11 mol 143 unq 0 iso 0 dist 5.24882 12.628 8.99891 10.7752 7.87644 8.41611 numMergedOcc 0
12 mol 143 unq 1 iso 0 dist 5.24882 12.628 8.99891 17.4534 13.5899 7.63338 numMergedOcc 0
13 mol 143 unq 2 iso 0 dist 5.24882 12.628 8.99891 14.3291 9.13604 9.03707 numMergedOcc 0
14 mol 143 unq 3 iso 0 dist 5.24882 12.628 8.99891 17.5493 12.6218 7.25673 numMergedOcc 0
15 mol 152 unq 0 iso 0 dist 9.3776 12.8882 7.59457 16.7471 9.43672 8.35555 numMergedOcc 0
16 mol 152 unq 1 iso 0 dist 7.71959 5.29694 7.55934 11.5127 6.69469 9.77552 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 8.19926 11.8143 5.90765 17.1697 9.28201 7.24795 numMergedOcc 0
18 mol 194 unq 0 iso 0 dist 9.3032 5.69334 9.52922 8.26119 7.82899 6.26839 numMergedOcc 0
19 mol 194 unq 1 iso 0 dist 8.10451 13.5654 9.52922 9.10338 7.82899 6.26839 numMergedOcc 0
20 mol 248 unq 0 iso 0 dist 7.9475 10.9904 7.79063 12.1475 4.91893 6.17052 numMergedOcc 0
21 mol 248 unq 1 iso 0 dist 7.9475 10.4923 9.64778 12.1475 4.91893 9.77666 numMergedOcc 0
22 mol 253 unq 0 iso 0 dist 8.34984 11.9048 9.1927 13.4857 5.26612 9.66465 numMergedOcc 0
23 mol 258 unq 0 iso 0 dist 8.95095 6.30874 5.4557 6.51617 10.6472 8.15467 numMergedOcc 0
24 mol 278 unq 0 iso 0 dist 8.71708 11.9557 5.35705 10.8109 5.78276 7.67245 numMergedOcc 0
25 mol 278 unq 1 iso 0 dist 8.71708 7.70278 6.64378 10.8109 5.78276 9.12395 numMergedOcc 0
26 mol 285 unq 0 iso 0 dist 8.88717 5.23192 6.71946 6.98595 4.12133 5.31728 numMergedOcc 0
27 mol 285 unq 1 iso 0 dist 9.84651 9.00041 6.71946 8.32103 4.12133 5.31728 numMergedOcc 0
