0 mol 16 unq 0 iso 0 dist 7.03948 6.42835 9.87867 6.92781 5.47769 11.0298 10.2656 16.3417 7.65889 16.4761 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 7.03948 6.42835 9.87867 10.7015 6.58035 15.3667 10.2656 16.3417 7.65889 20.903 numMergedOcc 0
2 mol 16 unq 2 iso 0 dist 7.03948 6.57331 4.68733 10.7015 6.58035 11.1513 6.92781 5.47769 8.43054 5.32694 numMergedOcc 0
3 mol 16 unq 3 iso 0 dist 5.47769 8.43054 4.68733 5.32694 6.58035 11.1513 6.92781 7.03948 6.57331 10.7015 numMergedOcc 0
4 mol 58 unq 0 iso 0 dist 6.40841 8.69057 11.0945 11.0466 7.58407 18.0198 10.8779 16.0571 8.66539 20.7677 numMergedOcc 0
5 mol 58 unq 1 iso 0 dist 6.40841 8.69057 11.0945 11.0466 7.58407 18.0198 5.47421 10.335 5.38524 15.6564 numMergedOcc 0
6 mol 58 unq 2 iso 0 dist 6.40841 8.69057 11.0945 5.90225 6.31428 13.1897 10.8779 16.0571 8.66539 14.4309 numMergedOcc 0
7 mol 58 unq 3 iso 0 dist 6.40841 8.69057 11.0945 5.90225 6.31428 13.1897 5.47421 10.335 5.38524 9.7274 numMergedOcc 0
8 mol 58 unq 4 iso 0 dist 8.89374 8.96727 14.6599 5.35073 8.63333 13.3281 4.81926 11.5023 9.22598 5.30792 numMergedOcc 0
9 mol 58 unq 5 iso 0 dist 8.89374 8.96727 14.6599 8.62958 6.46761 14.4498 4.81926 11.5023 9.22598 13.1243 numMergedOcc 0
10 mol 58 unq 6 iso 0 dist 8.89374 8.96727 14.6599 14.176 9.73139 20.9029 4.81926 11.5023 9.22598 18.3276 numMergedOcc 0
11 mol 72 unq 0 iso 0 dist 8.624 9.74228 9.88768 5.36766 6.77912 7.12321 7.04035 11.9814 6.21799 8.24309 numMergedOcc 0
12 mol 72 unq 1 iso 0 dist 6.77912 7.12321 9.88768 5.36766 8.624 9.74228 8.24309 11.9814 6.21799 7.04035 numMergedOcc 0
13 mol 73 unq 0 iso 0 dist 8.70133 9.73086 6.15714 7.4697 5.64598 10.9476 5.4148 4.65521 7.4369 5.7113 numMergedOcc 0
14 mol 73 unq 1 iso 0 dist 4.65521 7.4369 6.15714 5.7113 5.64598 10.9476 5.4148 8.70133 9.73086 7.4697 numMergedOcc 0
15 mol 117 unq 0 iso 0 dist 7.63616 8.19331 5.56883 7.22206 6.62561 10.4223 7.21564 10.6107 8.85711 9.3584 numMergedOcc 0
16 mol 127 unq 0 iso 0 dist 6.63981 7.79505 6.15949 6.16471 7.34519 11.5667 6.55997 10.5605 7.36199 11.2106 numMergedOcc 0
17 mol 127 unq 1 iso 0 dist 6.63981 7.79505 6.15949 4.48524 8.58999 11.7484 6.55997 10.5605 7.36199 10.7685 numMergedOcc 0
18 mol 134 unq 0 iso 0 dist 8.79571 7.21868 5.67107 5.49782 5.42582 7.93372 5.62899 13.0121 9.66543 10.7144 numMergedOcc 0
19 mol 134 unq 1 iso 0 dist 8.79571 7.21868 5.67107 8.80819 8.6355 11.988 5.62899 13.0121 9.66543 12.8168 numMergedOcc 0
20 mol 134 unq 2 iso 0 dist 8.79571 7.21868 5.67107 8.80819 8.6355 11.988 5.49782 5.42582 7.93372 5.00817 numMergedOcc 0
21 mol 134 unq 3 iso 0 dist 5.42582 7.93372 5.67107 5.49782 8.79571 7.21868 10.7144 13.0121 9.66543 5.62899 numMergedOcc 0
22 mol 134 unq 4 iso 0 dist 5.42582 7.93372 5.67107 5.00817 8.6355 11.988 10.7144 13.0121 9.66543 12.8168 numMergedOcc 0
23 mol 134 unq 5 iso 0 dist 5.42582 7.93372 5.67107 5.00817 8.6355 11.988 5.49782 8.79571 7.21868 8.80819 numMergedOcc 0
24 mol 134 unq 6 iso 0 dist 8.94837 9.00918 5.58312 7.93571 7.77454 11.0651 14.069 11.0162 9.10524 12.204 numMergedOcc 0
25 mol 134 unq 7 iso 0 dist 8.94837 7.99477 9.61537 7.93571 7.77454 12.782 6.90348 13.0127 5.35237 13.3929 numMergedOcc 0
26 mol 224 unq 0 iso 0 dist 6.65984 8.79428 10.9705 4.70378 6.67585 13.2325 6.77699 11.0097 6.99769 10.9861 numMergedOcc 0
27 mol 224 unq 1 iso 0 dist 6.65984 8.79428 10.9705 4.70378 6.67585 13.2325 8.49799 10.667 6.8692 11.5372 numMergedOcc 0
28 mol 234 unq 0 iso 0 dist 7.85175 7.81215 10.5304 5.88703 6.25105 11.6391 10.2693 13.0678 5.64285 15.2225 numMergedOcc 0
29 mol 235 unq 0 iso 0 dist 6.98084 8.19317 4.47008 16.4493 9.58736 11.0129 7.218 7.32211 5.1823 15.4 numMergedOcc 0
30 mol 235 unq 1 iso 0 dist 6.98084 8.19317 4.47008 14.4362 9.43058 12.9086 7.218 7.32211 5.1823 14.4107 numMergedOcc 0
31 mol 235 unq 2 iso 0 dist 6.98084 8.19317 4.47008 11.3519 8.75735 11.8988 7.218 7.32211 5.1823 11.3789 numMergedOcc 0
32 mol 235 unq 3 iso 0 dist 6.98084 6.29377 7.34601 16.4493 9.58736 15.1974 7.218 7.32211 5.70635 15.4 numMergedOcc 0
33 mol 235 unq 4 iso 0 dist 6.98084 6.29377 7.34601 14.4362 9.43058 16.6119 7.218 7.32211 5.70635 14.4107 numMergedOcc 0
34 mol 235 unq 5 iso 0 dist 6.98084 6.29377 7.34601 11.3519 8.75735 14.6441 7.218 7.32211 5.70635 11.3789 numMergedOcc 0
35 mol 235 unq 6 iso 0 dist 7.32211 5.1823 4.47008 15.4 9.58736 11.0129 7.218 6.98084 8.19317 16.4493 numMergedOcc 0
36 mol 235 unq 7 iso 0 dist 7.32211 5.1823 4.47008 14.4107 9.43058 12.9086 7.218 6.98084 8.19317 14.4362 numMergedOcc 0
37 mol 235 unq 8 iso 0 dist 7.32211 5.1823 4.47008 11.3789 8.75735 11.8988 7.218 6.98084 8.19317 11.3519 numMergedOcc 0
38 mol 235 unq 9 iso 0 dist 7.32211 5.70635 7.34601 15.4 9.58736 15.1974 7.218 6.98084 6.29377 16.4493 numMergedOcc 0
39 mol 235 unq 10 iso 0 dist 7.32211 5.70635 7.34601 14.4107 9.43058 16.6119 7.218 6.98084 6.29377 14.4362 numMergedOcc 0
40 mol 235 unq 11 iso 0 dist 7.32211 5.70635 7.34601 11.3789 8.75735 14.6441 7.218 6.98084 6.29377 11.3519 numMergedOcc 0
41 mol 238 unq 0 iso 0 dist 6.55759 9.12776 15.4844 5.42006 5.38637 13.9551 15.7907 21.3432 9.72188 20.092 numMergedOcc 0
42 mol 238 unq 1 iso 0 dist 7.02475 9.12776 13.037 12.9854 8.96531 14.1555 15.7907 17.436 9.72188 19.104 numMergedOcc 0
43 mol 238 unq 2 iso 0 dist 9.29858 9.72188 11.7938 10.1648 9.68513 11.1002 15.7907 12.3367 9.12776 16.2992 numMergedOcc 0
44 mol 238 unq 3 iso 0 dist 7.19008 9.12776 6.12722 5.34096 7.49471 8.69015 15.7907 15.0465 9.72188 16.9605 numMergedOcc 0
45 mol 259 unq 0 iso 0 dist 7.48005 7.66153 14.0829 12.5353 8.37865 20.1127 4.69778 10.9591 9.07743 13.2121 numMergedOcc 0
