0 mol 26 unq 0 iso 0 dist 7.10804 15.2306 8.36742 13.3615 8.10028 6.92384 numMergedOcc 0
1 mol 26 unq 0 iso 1 dist 7.10804 13.3615 8.10028 15.2306 8.36742 6.92384 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 8.64424 8.82979 8.36742 3.63999 8.10028 6.92384 numMergedOcc 0
3 mol 26 unq 1 iso 1 dist 8.64424 3.63999 8.10028 8.82979 8.36742 6.92384 numMergedOcc 0
4 mol 34 unq 0 iso 0 dist 9.10681 8.3237 9.36493 11.3659 9.0665 7.94432 numMergedOcc 0
5 mol 34 unq 0 iso 1 dist 9.10681 11.3659 9.0665 8.3237 9.36493 7.94432 numMergedOcc 0
6 mol 34 unq 1 iso 0 dist 9.10681 8.3237 9.36493 15.0854 7.07773 13.9162 numMergedOcc 0
7 mol 34 unq 1 iso 1 dist 9.10681 15.0854 7.07773 8.3237 9.36493 13.9162 numMergedOcc 0
8 mol 34 unq 1 iso 0 dist 9.10681 11.3659 9.0665 15.0854 7.07773 9.25715 numMergedOcc 0
9 mol 34 unq 1 iso 1 dist 9.10681 15.0854 7.07773 11.3659 9.0665 9.25715 numMergedOcc 0
10 mol 78 unq 0 iso 0 dist 8.06502 9.26191 6.50622 6.42604 4.45433 3.46822 numMergedOcc 0
11 mol 78 unq 0 iso 1 dist 8.06502 6.42604 4.45433 9.26191 6.50622 3.46822 numMergedOcc 0
12 mol 83 unq 0 iso 0 dist 7.16429 12.8944 9.98298 10.4765 7.55036 4.73405 numMergedOcc 0
13 mol 83 unq 0 iso 1 dist 7.16429 10.4765 7.55036 12.8944 9.98298 4.73405 numMergedOcc 0
14 mol 83 unq 1 iso 0 dist 7.16429 12.8944 9.98298 6.73998 8.32248 14.1543 numMergedOcc 0
15 mol 83 unq 1 iso 1 dist 7.16429 6.73998 8.32248 12.8944 9.98298 14.1543 numMergedOcc 0
16 mol 83 unq 1 iso 0 dist 7.16429 10.4765 7.55036 6.73998 8.32248 9.89867 numMergedOcc 0
17 mol 83 unq 1 iso 1 dist 7.16429 6.73998 8.32248 10.4765 7.55036 9.89867 numMergedOcc 0
18 mol 141 unq 0 iso 0 dist 5.50402 9.50148 9.50762 10.2696 7.57472 12.1907 numMergedOcc 0
19 mol 141 unq 0 iso 1 dist 5.50402 10.2696 7.57472 9.50148 9.50762 12.1907 numMergedOcc 0
20 mol 184 unq 0 iso 0 dist 8.45309 10.5062 9.511 8.57356 7.72354 3.67493 numMergedOcc 0
21 mol 184 unq 0 iso 1 dist 8.45309 8.57356 7.72354 10.5062 9.511 3.67493 numMergedOcc 0
22 mol 220 unq 0 iso 0 dist 7.10646 9.35225 5.04072 3.95521 8.67956 10.2093 numMergedOcc 0
23 mol 220 unq 0 iso 1 dist 7.10646 3.95521 8.67956 9.35225 5.04072 10.2093 numMergedOcc 0
24 mol 239 unq 0 iso 0 dist 9.26044 11.2097 7.14918 6.10489 9.29322 12.7924 numMergedOcc 0
25 mol 239 unq 0 iso 1 dist 9.26044 6.10489 9.29322 11.2097 7.14918 12.7924 numMergedOcc 0
26 mol 278 unq 0 iso 0 dist 7.99979 4.32613 5.35362 7.34756 8.22364 4.88683 numMergedOcc 0
27 mol 278 unq 0 iso 1 dist 7.99979 7.34756 8.22364 4.32613 5.35362 4.88683 numMergedOcc 0
28 mol 278 unq 1 iso 0 dist 8.0742 3.64811 5.35362 6.31745 8.22364 4.88683 numMergedOcc 0
29 mol 278 unq 1 iso 1 dist 8.0742 6.31745 8.22364 3.64811 5.35362 4.88683 numMergedOcc 0
30 mol 279 unq 0 iso 0 dist 5.15432 3.75969 5.76793 11.1754 7.72276 9.77541 numMergedOcc 0
31 mol 279 unq 0 iso 1 dist 5.15432 11.1754 7.72276 3.75969 5.76793 9.77541 numMergedOcc 0
32 mol 279 unq 1 iso 0 dist 8.2375 3.72823 5.76793 9.62805 7.72276 9.77541 numMergedOcc 0
33 mol 279 unq 1 iso 1 dist 8.2375 9.62805 7.72276 3.72823 5.76793 9.77541 numMergedOcc 0
34 mol 279 unq 2 iso 0 dist 9.23951 6.22298 5.76793 8.30922 7.72276 9.77541 numMergedOcc 0
35 mol 279 unq 2 iso 1 dist 9.23951 8.30922 7.72276 6.22298 5.76793 9.77541 numMergedOcc 0
36 mol 287 unq 0 iso 0 dist 8.85872 3.76412 9.2144 5.39384 8.36585 4.68872 numMergedOcc 0
37 mol 287 unq 0 iso 1 dist 8.85872 5.39384 8.36585 3.76412 9.2144 4.68872 numMergedOcc 0
38 mol 288 unq 0 iso 0 dist 8.85872 3.76412 9.2144 5.39384 8.36585 4.68872 numMergedOcc 0
39 mol 288 unq 0 iso 1 dist 8.85872 5.39384 8.36585 3.76412 9.2144 4.68872 numMergedOcc 0
40 mol 289 unq 0 iso 0 dist 8.85872 3.76412 9.2144 5.39384 8.36585 4.68872 numMergedOcc 0
41 mol 289 unq 0 iso 1 dist 8.85872 5.39384 8.36585 3.76412 9.2144 4.68872 numMergedOcc 0
