0 mol 24 unq 0 iso 0 dist 6.60423 5.39241 8.62284 8.66248 9.41655 6.72423 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 6.60423 5.39241 8.62284 6.73521 6.803 4.0664 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 7.83786 4.51549 8.62284 10.0118 9.41655 6.72423 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 7.83786 4.51549 8.62284 6.07594 6.803 4.0664 numMergedOcc 0
4 mol 30 unq 0 iso 0 dist 8.7817 10.8374 8.58568 12.6119 7.78893 4.10948 numMergedOcc 0
5 mol 30 unq 1 iso 0 dist 8.7817 10.8374 8.58568 11.8413 5.85146 8.812 numMergedOcc 0
6 mol 30 unq 2 iso 0 dist 7.55415 7.95173 8.58568 10.5615 7.78893 4.10948 numMergedOcc 0
7 mol 30 unq 3 iso 0 dist 7.55415 7.95173 8.58568 7.87211 5.85146 8.812 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 8.65802 12.3813 9.20197 10.3949 7.87729 11.6562 numMergedOcc 0
9 mol 93 unq 0 iso 0 dist 9.81831 8.58164 7.85041 8.13232 6.46217 11.5028 numMergedOcc 0
10 mol 93 unq 1 iso 0 dist 9.12858 9.67788 7.85041 9.79899 6.46217 11.5028 numMergedOcc 0
11 mol 93 unq 2 iso 0 dist 9.4523 5.33106 7.85041 13.6379 6.46217 11.5028 numMergedOcc 0
12 mol 119 unq 0 iso 0 dist 7.99857 6.35763 9.87025 10.4816 7.62197 12.2671 numMergedOcc 0
13 mol 119 unq 1 iso 0 dist 7.99857 7.36192 5.85818 10.4816 7.62197 3.71283 numMergedOcc 0
14 mol 119 unq 2 iso 0 dist 8.56342 10.0197 9.87025 13.2169 7.62197 12.2671 numMergedOcc 0
15 mol 119 unq 3 iso 0 dist 8.56342 10.6679 5.85818 13.2169 7.62197 3.71283 numMergedOcc 0
16 mol 143 unq 0 iso 0 dist 8.41611 5.44503 6.40901 6.75249 7.22 4.19541 numMergedOcc 0
17 mol 147 unq 0 iso 0 dist 5.49226 5.08802 5.1101 4.19634 7.19893 7.97454 numMergedOcc 0
18 mol 147 unq 1 iso 0 dist 5.49226 5.08802 5.1101 4.45407 6.37938 3.547 numMergedOcc 0
19 mol 147 unq 2 iso 0 dist 5.49226 10.1972 7.01133 4.19634 7.19893 13.3536 numMergedOcc 0
20 mol 147 unq 3 iso 0 dist 5.49226 10.1972 7.01133 4.45407 6.37938 9.88741 numMergedOcc 0
21 mol 147 unq 4 iso 0 dist 6.28351 8.59354 5.1101 10.2041 7.19893 7.97454 numMergedOcc 0
22 mol 147 unq 5 iso 0 dist 6.28351 8.59354 5.1101 10.5141 6.37938 3.547 numMergedOcc 0
23 mol 147 unq 6 iso 0 dist 6.28351 8.54341 7.01133 10.2041 7.19893 13.3536 numMergedOcc 0
24 mol 147 unq 7 iso 0 dist 6.28351 8.54341 7.01133 10.5141 6.37938 9.88741 numMergedOcc 0
25 mol 158 unq 0 iso 0 dist 7.88319 6.63727 6.39981 6.60451 8.06621 5.30823 numMergedOcc 0
26 mol 175 unq 0 iso 0 dist 7.35824 11.1651 7.01126 10.7092 6.90373 5.31608 numMergedOcc 0
27 mol 184 unq 0 iso 0 dist 8.77887 6.47974 6.21206 8.36988 9.12454 4.11581 numMergedOcc 0
28 mol 188 unq 0 iso 0 dist 8.57261 12.0548 7.48284 8.02684 6.18257 4.61059 numMergedOcc 0
29 mol 198 unq 0 iso 0 dist 9.18635 5.72073 8.15936 9.65062 5.20846 8.56728 numMergedOcc 0
30 mol 198 unq 1 iso 0 dist 9.18635 9.94078 8.16598 9.65062 5.20846 6.76174 numMergedOcc 0
31 mol 198 unq 2 iso 0 dist 8.10985 12.2117 8.15936 4.27652 5.20846 8.56728 numMergedOcc 0
32 mol 198 unq 3 iso 0 dist 8.10985 10.8191 8.16598 4.27652 5.20846 6.76174 numMergedOcc 0
33 mol 205 unq 0 iso 0 dist 8.44861 8.66809 5.42696 9.96193 5.19567 3.72865 numMergedOcc 0
34 mol 205 unq 1 iso 0 dist 5.60393 6.23291 5.42696 4.30308 5.19567 3.72865 numMergedOcc 0
35 mol 210 unq 0 iso 0 dist 7.63018 10.9823 6.4829 11.6379 8.83523 3.82667 numMergedOcc 0
36 mol 218 unq 0 iso 0 dist 8.0751 7.35842 6.23898 6.24608 5.4621 4.24855 numMergedOcc 0
37 mol 218 unq 1 iso 0 dist 8.0751 7.35842 6.23898 12.235 8.91819 5.31276 numMergedOcc 0
38 mol 218 unq 2 iso 0 dist 6.29367 6.05563 6.86795 10.1632 8.98941 4.24855 numMergedOcc 0
39 mol 218 unq 3 iso 0 dist 6.29367 6.05563 6.86795 6.67144 6.45381 5.31276 numMergedOcc 0
40 mol 218 unq 4 iso 0 dist 6.29367 8.36122 6.61099 10.1632 8.98941 10.7049 numMergedOcc 0
41 mol 218 unq 5 iso 0 dist 6.29367 8.36122 6.61099 6.67144 6.45381 4.36581 numMergedOcc 0
42 mol 218 unq 6 iso 0 dist 5.76954 9.68444 6.86795 13.1733 8.98941 4.24855 numMergedOcc 0
43 mol 218 unq 7 iso 0 dist 5.76954 9.68444 6.86795 8.38909 6.45381 5.31276 numMergedOcc 0
44 mol 218 unq 8 iso 0 dist 5.76954 7.47048 6.61099 13.1733 8.98941 10.7049 numMergedOcc 0
45 mol 218 unq 9 iso 0 dist 5.76954 7.47048 6.61099 8.38909 6.45381 4.36581 numMergedOcc 0
46 mol 218 unq 10 iso 0 dist 9.20961 11.4148 6.86795 15.3828 8.98941 4.24855 numMergedOcc 0
47 mol 218 unq 11 iso 0 dist 9.20961 11.4148 6.86795 12.4463 6.45381 5.31276 numMergedOcc 0
48 mol 218 unq 12 iso 0 dist 9.20961 12.7963 6.61099 15.3828 8.98941 10.7049 numMergedOcc 0
49 mol 218 unq 13 iso 0 dist 9.20961 12.7963 6.61099 12.4463 6.45381 4.36581 numMergedOcc 0
50 mol 230 unq 0 iso 0 dist 9.09271 11.2344 8.85215 12.9537 7.83105 4.47722 numMergedOcc 0
51 mol 230 unq 1 iso 0 dist 9.09271 11.2344 8.85215 12.3005 5.63025 9.50055 numMergedOcc 0
52 mol 230 unq 2 iso 0 dist 7.44838 8.44099 8.85215 10.9745 7.83105 4.47722 numMergedOcc 0
53 mol 230 unq 3 iso 0 dist 7.44838 8.44099 8.85215 8.05169 5.63025 9.50055 numMergedOcc 0
54 mol 252 unq 0 iso 0 dist 8.47784 4.23801 5.2361 17.5547 9.76731 14.0295 numMergedOcc 0
55 mol 252 unq 1 iso 0 dist 8.47784 4.23801 5.2361 14.3189 8.38599 10.3309 numMergedOcc 0
56 mol 252 unq 2 iso 0 dist 8.47784 13.6996 5.57515 17.5547 9.76731 7.41325 numMergedOcc 0
57 mol 252 unq 3 iso 0 dist 8.47784 13.6996 5.57515 14.3189 8.38599 7.40276 numMergedOcc 0
58 mol 252 unq 4 iso 0 dist 8.47784 15.4395 8.28694 17.5547 9.76731 6.68865 numMergedOcc 0
59 mol 252 unq 5 iso 0 dist 8.47784 15.4395 8.28694 14.3189 8.38599 3.93498 numMergedOcc 0
60 mol 252 unq 6 iso 0 dist 8.66469 9.12442 5.2361 11.5735 9.76731 14.0295 numMergedOcc 0
61 mol 252 unq 7 iso 0 dist 8.66469 9.12442 5.2361 6.19934 8.38599 10.3309 numMergedOcc 0
62 mol 252 unq 8 iso 0 dist 8.66469 7.35945 5.57515 11.5735 9.76731 7.41325 numMergedOcc 0
63 mol 252 unq 9 iso 0 dist 8.66469 7.35945 5.57515 6.19934 8.38599 7.40276 numMergedOcc 0
64 mol 252 unq 10 iso 0 dist 8.66469 5.26003 8.28694 11.5735 9.76731 6.68865 numMergedOcc 0
65 mol 252 unq 11 iso 0 dist 8.66469 5.26003 8.28694 6.19934 8.38599 3.93498 numMergedOcc 0
66 mol 264 unq 0 iso 0 dist 6.04162 8.16326 9.42738 5.82362 8.78525 3.50016 numMergedOcc 0
67 mol 264 unq 1 iso 0 dist 6.14323 12.3807 9.42738 10.6043 8.78525 3.50016 numMergedOcc 0
68 mol 277 unq 0 iso 0 dist 6.57903 9.92201 7.25677 14.3711 8.78893 6.50127 numMergedOcc 0
69 mol 277 unq 1 iso 0 dist 9.65707 7.29899 7.25677 13.63 8.78893 6.50127 numMergedOcc 0
70 mol 277 unq 2 iso 0 dist 9.3936 6.21891 6.73126 10.724 4.61089 6.50127 numMergedOcc 0
71 mol 282 unq 0 iso 0 dist 5.23193 7.30164 9.96468 12.1291 9.9322 14.9487 numMergedOcc 0
72 mol 282 unq 1 iso 0 dist 5.23193 8.36249 9.59817 12.1291 9.9322 17.4495 numMergedOcc 0
73 mol 282 unq 2 iso 0 dist 8.0241 5.9438 6.353 4.50378 9.18236 3.70701 numMergedOcc 0
