0 mol 11 unq 0 iso 0 dist 9.97185 9.91417 4.13124 11.9532 9.36555 13.1846 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 9.26742 8.69224 8.97662 4.97972 8.73572 7.72372 numMergedOcc 0
2 mol 37 unq 0 iso 0 dist 8.19078 9.71933 4.95968 10.4654 9.25986 13.1988 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 9.27853 9.80453 7.84827 12.7412 8.28883 12.6509 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 8.11977 6.45955 5.03002 4.86856 6.98862 8.08224 numMergedOcc 0
5 mol 79 unq 0 iso 0 dist 7.83159 6.29801 5.67799 12.342 7.41952 11.4214 numMergedOcc 0
6 mol 103 unq 0 iso 0 dist 8.2592 7.91691 11.5904 6.99545 7.81042 14.2555 numMergedOcc 0
7 mol 120 unq 0 iso 0 dist 9.66306 6.84006 7.47617 4.30031 9.18835 7.06763 numMergedOcc 0
8 mol 120 unq 1 iso 0 dist 8.84182 9.08322 7.47617 9.03773 9.18835 7.06763 numMergedOcc 0
9 mol 136 unq 0 iso 0 dist 9.73117 6.99374 4.91049 9.57467 9.33635 11.0888 numMergedOcc 0
10 mol 152 unq 0 iso 0 dist 8.41938 9.3776 6.37913 10.073 6.4737 9.71586 numMergedOcc 0
11 mol 152 unq 1 iso 0 dist 6.53428 7.71959 4.19899 6.30491 5.59682 6.68265 numMergedOcc 0
12 mol 152 unq 2 iso 0 dist 6.53428 7.71959 4.19899 4.48776 7.71277 7.78842 numMergedOcc 0
13 mol 186 unq 0 iso 0 dist 5.17005 7.82717 4.25519 8.15466 8.39345 6.97766 numMergedOcc 0
14 mol 186 unq 1 iso 0 dist 5.17005 8.19926 6.35206 8.15466 8.39345 4.79423 numMergedOcc 0
15 mol 186 unq 2 iso 0 dist 5.17005 9.02402 10.6883 8.15466 8.39345 16.7702 numMergedOcc 0
16 mol 206 unq 0 iso 0 dist 7.03594 9.54448 4.22218 4.7722 4.51269 5.73198 numMergedOcc 0
17 mol 239 unq 0 iso 0 dist 9.61732 9.76929 14.793 8.07548 5.38325 12.203 numMergedOcc 0
18 mol 249 unq 0 iso 0 dist 7.34573 5.3865 10.5184 7.19081 4.46389 12.0408 numMergedOcc 0
19 mol 257 unq 0 iso 0 dist 8.04644 8.50916 7.56859 8.69639 8.98346 14.8313 numMergedOcc 0
20 mol 258 unq 0 iso 0 dist 8.94629 8.86773 14.159 11.7794 8.57305 17.7081 numMergedOcc 0
21 mol 258 unq 1 iso 0 dist 8.94629 8.95095 9.93118 11.7794 8.57305 10.2662 numMergedOcc 0
22 mol 260 unq 0 iso 0 dist 7.246 7.22473 11.4881 8.39111 9.18439 15.3936 numMergedOcc 0
23 mol 260 unq 1 iso 0 dist 7.246 6.02628 9.7119 8.39111 9.18439 11.749 numMergedOcc 0
24 mol 266 unq 0 iso 0 dist 9.62474 7.51951 10.1478 10.2941 9.77392 14.2079 numMergedOcc 0
25 mol 285 unq 0 iso 0 dist 8.64527 9.84651 10.0892 13.7143 7.97209 17.3819 numMergedOcc 0
26 mol 285 unq 1 iso 0 dist 8.64527 9.84651 10.0892 6.56958 8.63954 6.07843 numMergedOcc 0
27 mol 285 unq 2 iso 0 dist 9.0062 8.88717 3.97296 5.29647 4.74716 6.07843 numMergedOcc 0
28 mol 285 unq 3 iso 0 dist 8.72607 9.84651 3.97296 6.56958 4.74716 6.07843 numMergedOcc 0
29 mol 287 unq 0 iso 0 dist 7.41348 7.91541 4.72942 9.73479 8.04003 12.3717 numMergedOcc 0
30 mol 287 unq 1 iso 0 dist 7.41348 8.3784 4.05301 9.73479 8.04003 11.7462 numMergedOcc 0
31 mol 288 unq 0 iso 0 dist 7.41348 7.91541 4.72942 9.73479 8.04003 12.3717 numMergedOcc 0
32 mol 288 unq 1 iso 0 dist 7.41348 8.3784 4.05301 9.73479 8.04003 11.7462 numMergedOcc 0
33 mol 289 unq 0 iso 0 dist 7.41348 7.91541 4.72942 9.73479 8.04003 12.3717 numMergedOcc 0
34 mol 289 unq 1 iso 0 dist 7.41348 8.3784 4.05301 9.73479 8.04003 11.7462 numMergedOcc 0
