0 mol 20 unq 0 iso 0 dist 9.55415 7.17695 4.8515 8.13992 9.35248 10.1439 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 9.55415 9.33207 3.51645 8.13992 9.35248 11.7373 numMergedOcc 0
2 mol 67 unq 0 iso 0 dist 6.23298 8.4702 11.6017 5.32316 9.85405 12.9343 numMergedOcc 0
3 mol 78 unq 0 iso 0 dist 6.02034 8.48827 13.1307 3.93133 6.77808 8.03895 numMergedOcc 0
4 mol 78 unq 1 iso 0 dist 6.02034 7.14048 10.7383 3.93133 6.77808 5.68873 numMergedOcc 0
5 mol 78 unq 2 iso 0 dist 6.77808 8.03895 13.1307 3.93133 6.02034 8.48827 numMergedOcc 0
6 mol 78 unq 3 iso 0 dist 6.77808 5.68873 10.7383 3.93133 6.02034 7.14048 numMergedOcc 0
7 mol 133 unq 0 iso 0 dist 6.85651 4.82356 3.75786 7.57921 7.03858 8.83476 numMergedOcc 0
8 mol 133 unq 1 iso 0 dist 9.21256 8.22722 11.2135 5.01776 8.3243 12.3822 numMergedOcc 0
9 mol 133 unq 2 iso 0 dist 9.21256 8.22722 11.2135 11.3944 8.95239 17.8117 numMergedOcc 0
10 mol 133 unq 3 iso 0 dist 9.21256 8.22722 11.2135 10.5425 6.23615 8.52036 numMergedOcc 0
11 mol 133 unq 4 iso 0 dist 6.23615 8.52036 11.2135 10.5425 9.21256 8.22722 numMergedOcc 0
12 mol 133 unq 5 iso 0 dist 6.23615 8.52036 11.2135 12.3753 8.3243 12.3822 numMergedOcc 0
13 mol 133 unq 6 iso 0 dist 6.23615 8.52036 11.2135 14.0664 8.95239 17.8117 numMergedOcc 0
14 mol 133 unq 7 iso 0 dist 7.03858 8.83476 3.75786 7.57921 6.85651 4.82356 numMergedOcc 0
15 mol 180 unq 0 iso 0 dist 5.43774 7.58661 6.15473 5.33436 8.31061 5.81023 numMergedOcc 0
16 mol 180 unq 1 iso 0 dist 5.43774 6.53993 4.52794 5.33436 8.31061 8.4285 numMergedOcc 0
17 mol 180 unq 2 iso 0 dist 8.31061 5.81023 6.15473 5.33436 5.43774 7.58661 numMergedOcc 0
18 mol 180 unq 3 iso 0 dist 8.31061 8.4285 4.52794 5.33436 5.43774 6.53993 numMergedOcc 0
19 mol 183 unq 0 iso 0 dist 5.83335 7.16035 9.54202 3.75614 7.86724 9.61725 numMergedOcc 0
20 mol 183 unq 1 iso 0 dist 5.83335 6.2675 4.96829 3.75614 7.86724 9.52042 numMergedOcc 0
21 mol 183 unq 2 iso 0 dist 7.86724 9.61725 9.54202 3.75614 5.83335 7.16035 numMergedOcc 0
22 mol 183 unq 3 iso 0 dist 7.86724 9.52042 4.96829 3.75614 5.83335 6.2675 numMergedOcc 0
23 mol 183 unq 4 iso 0 dist 9.92635 7.16035 10.7786 3.75614 7.85507 9.61725 numMergedOcc 0
24 mol 183 unq 5 iso 0 dist 9.92635 6.2675 14.145 3.75614 7.85507 9.52042 numMergedOcc 0
25 mol 183 unq 6 iso 0 dist 7.85507 9.61725 10.7786 3.75614 9.92635 7.16035 numMergedOcc 0
26 mol 183 unq 7 iso 0 dist 7.85507 9.52042 14.145 3.75614 9.92635 6.2675 numMergedOcc 0
27 mol 204 unq 0 iso 0 dist 7.19213 8.49554 3.72258 3.78668 5.67196 8.29256 numMergedOcc 0
28 mol 204 unq 1 iso 0 dist 5.67196 8.29256 3.72258 3.78668 7.19213 8.49554 numMergedOcc 0
29 mol 204 unq 2 iso 0 dist 5.67196 7.8274 7.27203 3.78668 7.19213 10.5306 numMergedOcc 0
30 mol 232 unq 0 iso 0 dist 7.99525 9.25334 3.68934 4.19978 9.20965 9.38205 numMergedOcc 0
31 mol 232 unq 1 iso 0 dist 9.20965 9.38205 3.68934 4.19978 7.99525 9.25334 numMergedOcc 0
32 mol 232 unq 2 iso 0 dist 9.20965 8.32831 13.1614 4.19978 7.99525 10.8902 numMergedOcc 0
33 mol 232 unq 3 iso 0 dist 6.11539 8.54126 3.79439 9.60695 9.71082 7.64079 numMergedOcc 0
34 mol 232 unq 4 iso 0 dist 9.71082 9.33969 13.4178 9.60695 6.11539 16.9144 numMergedOcc 0
35 mol 232 unq 5 iso 0 dist 9.71082 7.64079 3.79439 9.60695 6.11539 8.54126 numMergedOcc 0
36 mol 269 unq 0 iso 0 dist 7.97206 6.72096 4.41005 9.73015 7.1068 9.18157 numMergedOcc 0
37 mol 269 unq 1 iso 0 dist 7.1068 9.18157 4.41005 9.73015 7.97206 6.72096 numMergedOcc 0
38 mol 280 unq 0 iso 0 dist 7.10723 9.22665 3.76721 9.41086 6.8664 9.84708 numMergedOcc 0
39 mol 280 unq 1 iso 0 dist 6.8664 9.84708 3.76721 9.41086 7.10723 9.22665 numMergedOcc 0
