0 mol 26 unq 0 iso 0 dist 7.10804 5.272 6.06906 15.2306 8.36742 14.0642 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 7.10804 5.272 6.06906 13.3615 8.10028 13.2945 numMergedOcc 0
2 mol 45 unq 0 iso 0 dist 6.1517 9.69419 4.80098 6.74214 7.55443 7.18002 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 8.06519 7.77714 14.0438 3.42062 7.32699 9.77004 numMergedOcc 0
4 mol 48 unq 1 iso 0 dist 7.54027 7.77714 10.6879 3.42062 6.45933 9.77004 numMergedOcc 0
5 mol 48 unq 2 iso 0 dist 8.12546 8.02004 6.21973 3.47529 7.05964 9.54119 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 6.86463 9.5345 5.58111 6.34918 9.93968 14.0631 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 6.86463 7.61405 5.76533 6.34918 9.93968 12.7467 numMergedOcc 0
8 mol 78 unq 0 iso 0 dist 8.06502 9.04246 9.74711 9.26191 6.50622 15.1827 numMergedOcc 0
9 mol 78 unq 1 iso 0 dist 8.06502 9.04246 9.74711 6.42604 4.45433 12.1585 numMergedOcc 0
10 mol 79 unq 0 iso 0 dist 5.09725 8.21723 4.19771 6.02092 7.60619 10.738 numMergedOcc 0
11 mol 83 unq 0 iso 0 dist 7.16429 7.28226 5.36222 12.8944 9.98298 14.3917 numMergedOcc 0
12 mol 83 unq 1 iso 0 dist 7.16429 7.28226 5.36222 10.4765 7.55036 12.6245 numMergedOcc 0
13 mol 83 unq 2 iso 0 dist 7.16429 7.28226 5.36222 6.73998 8.32248 10.6272 numMergedOcc 0
14 mol 130 unq 0 iso 0 dist 7.71664 9.79676 9.84637 5.17954 9.04366 10.569 numMergedOcc 0
15 mol 153 unq 0 iso 0 dist 9.47241 9.50296 7.11128 4.634 6.18934 8.16336 numMergedOcc 0
16 mol 205 unq 0 iso 0 dist 7.83642 9.77828 6.91151 7.10068 8.27988 11.7663 numMergedOcc 0
17 mol 220 unq 0 iso 0 dist 7.10646 5.1498 6.30987 9.35225 5.04072 9.17557 numMergedOcc 0
18 mol 220 unq 1 iso 0 dist 7.10646 5.1498 6.30987 3.95521 8.67956 8.95221 numMergedOcc 0
19 mol 233 unq 0 iso 0 dist 8.25961 9.99681 10.9953 6.41178 5.22629 12.233 numMergedOcc 0
20 mol 241 unq 0 iso 0 dist 9.05448 9.744 9.74628 6.51662 9.87415 10.0116 numMergedOcc 0
21 mol 241 unq 1 iso 0 dist 9.05448 7.62827 4.36577 6.51662 9.87415 10.0773 numMergedOcc 0
22 mol 249 unq 0 iso 0 dist 6.23348 8.9281 7.82195 4.76162 5.7671 9.38713 numMergedOcc 0
23 mol 251 unq 0 iso 0 dist 9.71053 5.63943 4.77397 3.46172 9.20256 6.63516 numMergedOcc 0
24 mol 257 unq 0 iso 0 dist 8.5835 8.53984 12.026 3.41163 8.81508 11.1583 numMergedOcc 0
25 mol 264 unq 0 iso 0 dist 9.03169 7.82276 5.79293 3.9472 9.26331 7.33027 numMergedOcc 0
26 mol 278 unq 0 iso 0 dist 7.99979 6.87275 9.80648 4.32613 5.35362 7.45915 numMergedOcc 0
27 mol 278 unq 1 iso 0 dist 7.99979 6.87275 9.80648 7.34756 8.22364 12.0587 numMergedOcc 0
28 mol 278 unq 2 iso 0 dist 8.0742 7.02416 9.80648 3.64811 5.35362 7.45915 numMergedOcc 0
29 mol 278 unq 3 iso 0 dist 8.0742 7.02416 9.80648 6.31745 8.22364 12.0587 numMergedOcc 0
30 mol 283 unq 0 iso 0 dist 7.11407 5.78449 5.2842 9.8348 9.33601 8.91437 numMergedOcc 0
31 mol 284 unq 0 iso 0 dist 9.91812 8.45487 11.6996 5.88619 6.61811 10.5318 numMergedOcc 0
