0 mol 9 unq 0 iso 0 dist 8.69493 5.54438 8.55446 4.19134 4.74921 5.40172 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 8.69493 6.57322 6.59455 4.19134 4.74921 3.91893 numMergedOcc 0
2 mol 9 unq 2 iso 0 dist 8.69493 7.5263 5.71201 4.19134 4.74921 4.94281 numMergedOcc 0
3 mol 9 unq 3 iso 0 dist 7.02963 9.91187 8.55446 5.5503 4.74921 5.40172 numMergedOcc 0
4 mol 9 unq 4 iso 0 dist 7.02963 9.06833 6.59455 5.5503 4.74921 3.91893 numMergedOcc 0
5 mol 9 unq 5 iso 0 dist 7.02963 5.38864 5.71201 5.5503 4.74921 4.94281 numMergedOcc 0
6 mol 24 unq 0 iso 0 dist 5.78238 12.1924 9.69752 9.82272 9.41655 7.02381 numMergedOcc 0
7 mol 24 unq 1 iso 0 dist 5.78238 12.1924 9.69752 6.14082 6.803 7.18485 numMergedOcc 0
8 mol 24 unq 2 iso 0 dist 5.78238 14.9821 9.36461 9.82272 9.41655 14.1137 numMergedOcc 0
9 mol 24 unq 3 iso 0 dist 5.78238 14.9821 9.36461 6.14082 6.803 13.4584 numMergedOcc 0
10 mol 34 unq 0 iso 0 dist 4.75558 9.05396 6.15801 13.9794 9.31883 9.92713 numMergedOcc 0
11 mol 34 unq 1 iso 0 dist 4.75558 9.05396 6.15801 13.6396 9.475 10.6518 numMergedOcc 0
12 mol 34 unq 2 iso 0 dist 4.75558 9.05396 6.15801 12.4215 8.34011 5.94977 numMergedOcc 0
13 mol 34 unq 3 iso 0 dist 4.75558 9.05396 6.15801 4.96488 6.29842 6.35031 numMergedOcc 0
14 mol 34 unq 4 iso 0 dist 4.75558 9.98702 9.63403 13.9794 9.31883 15.7295 numMergedOcc 0
15 mol 34 unq 5 iso 0 dist 4.75558 9.98702 9.63403 13.6396 9.475 16.8534 numMergedOcc 0
16 mol 34 unq 6 iso 0 dist 4.75558 9.98702 9.63403 12.4215 8.34011 12.3865 numMergedOcc 0
17 mol 34 unq 7 iso 0 dist 4.75558 9.98702 9.63403 4.96488 6.29842 5.50427 numMergedOcc 0
18 mol 34 unq 8 iso 0 dist 4.75558 4.78533 8.07314 13.9794 9.31883 16.4972 numMergedOcc 0
19 mol 34 unq 9 iso 0 dist 4.75558 4.78533 8.07314 13.6396 9.475 15.5365 numMergedOcc 0
20 mol 34 unq 10 iso 0 dist 4.75558 4.78533 8.07314 12.4215 8.34011 13.3825 numMergedOcc 0
21 mol 34 unq 11 iso 0 dist 4.75558 4.78533 8.07314 4.96488 6.29842 5.12822 numMergedOcc 0
22 mol 48 unq 0 iso 0 dist 8.81611 15.12 7.59316 7.64845 5.54554 8.98812 numMergedOcc 0
23 mol 48 unq 1 iso 0 dist 8.81611 15.12 7.59316 14.8695 6.84514 3.50984 numMergedOcc 0
24 mol 48 unq 2 iso 0 dist 8.81611 15.12 7.59316 11.3732 8.95402 12.69 numMergedOcc 0
25 mol 48 unq 3 iso 0 dist 7.09356 6.04522 7.59316 6.94072 5.54554 8.98812 numMergedOcc 0
26 mol 48 unq 4 iso 0 dist 7.09356 6.04522 7.59316 8.28032 6.84514 3.50984 numMergedOcc 0
27 mol 48 unq 5 iso 0 dist 7.09356 6.04522 7.59316 13.284 8.95402 12.69 numMergedOcc 0
28 mol 48 unq 6 iso 0 dist 8.81414 15.2743 7.51285 8.09295 5.5232 9.01489 numMergedOcc 0
29 mol 48 unq 7 iso 0 dist 8.81414 15.2743 7.51285 15.2448 7.05619 3.65036 numMergedOcc 0
30 mol 48 unq 8 iso 0 dist 7.00226 6.14836 7.51285 7.11454 5.5232 9.01489 numMergedOcc 0
31 mol 48 unq 9 iso 0 dist 7.00226 6.14836 7.51285 8.60738 7.05619 3.65036 numMergedOcc 0
32 mol 63 unq 0 iso 0 dist 8.34374 7.25012 5.53589 9.15638 4.92457 3.23074 numMergedOcc 0
33 mol 73 unq 0 iso 0 dist 9.23537 5.00897 7.62738 11.4114 8.59337 12.1293 numMergedOcc 0
34 mol 73 unq 1 iso 0 dist 9.23537 5.00897 7.62738 15.0963 7.66942 15.0139 numMergedOcc 0
35 mol 143 unq 0 iso 0 dist 6.63984 9.64692 6.95372 5.96417 8.56866 6.36052 numMergedOcc 0
36 mol 143 unq 1 iso 0 dist 6.63984 9.64692 6.95372 11.167 5.66207 4.5497 numMergedOcc 0
37 mol 156 unq 0 iso 0 dist 8.86912 10.2977 7.46845 4.9682 5.22104 5.64188 numMergedOcc 0
38 mol 175 unq 0 iso 0 dist 5.32236 5.86269 8.05247 10.8953 7.6741 10.297 numMergedOcc 0
39 mol 175 unq 1 iso 0 dist 5.32236 10.5222 9.71028 10.8953 7.6741 11.8094 numMergedOcc 0
40 mol 210 unq 0 iso 0 dist 8.53457 11.3555 5.57779 13.4995 8.83523 5.88175 numMergedOcc 0
41 mol 210 unq 1 iso 0 dist 8.53457 4.94588 7.05649 13.4995 8.83523 9.89707 numMergedOcc 0
42 mol 210 unq 2 iso 0 dist 8.53457 6.61563 6.78579 13.4995 8.83523 13.4242 numMergedOcc 0
43 mol 218 unq 0 iso 0 dist 9.71415 14.3098 9.32945 10.0574 6.62738 7.3057 numMergedOcc 0
44 mol 218 unq 1 iso 0 dist 9.71415 14.3098 9.32945 4.56488 7.13254 10.5867 numMergedOcc 0
45 mol 220 unq 0 iso 0 dist 6.648 7.31769 6.51288 8.21022 5.37154 5.32823 numMergedOcc 0
46 mol 230 unq 0 iso 0 dist 8.02209 10.4085 8.34416 7.62813 6.31092 9.70239 numMergedOcc 0
47 mol 230 unq 1 iso 0 dist 8.02209 5.50843 6.34832 7.62813 6.31092 6.2222 numMergedOcc 0
48 mol 252 unq 0 iso 0 dist 6.88874 5.53685 7.39391 8.56684 8.38453 3.99887 numMergedOcc 0
49 mol 279 unq 0 iso 0 dist 4.96272 5.65772 8.55729 8.61444 8.17846 12.473 numMergedOcc 0
50 mol 279 unq 1 iso 0 dist 7.31569 6.83801 8.55729 6.1215 8.17846 12.473 numMergedOcc 0
51 mol 282 unq 0 iso 0 dist 9.72264 5.04943 8.53065 7.84266 9.9322 9.21292 numMergedOcc 0
52 mol 282 unq 1 iso 0 dist 9.72264 15.7367 8.67489 7.84266 9.9322 17.93 numMergedOcc 0
