0 mol 13 unq 0 iso 0 dist 8.43325 9.45635 9.75022 10.8906 5.78148 14.1711 6.95614 12.4532 9.21911 16.786 numMergedOcc 0
1 mol 13 unq 1 iso 0 dist 8.43325 9.45635 9.75022 5.43688 6.26071 12.0737 6.95614 12.4532 9.21911 12.0396 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 6.60423 7.95042 4.47891 7.05502 7.83786 11.6516 8.52463 9.36461 5.80953 14.6654 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 4.93188 6.6219 8.32592 12.3067 9.24958 11.0181 6.56748 11.4664 9.73647 18.1606 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 4.93188 5.68215 8.10397 12.3067 9.24958 17.003 6.56748 11.4664 7.26334 18.1606 numMergedOcc 0
5 mol 24 unq 3 iso 0 dist 4.93188 5.68215 8.10397 12.3067 9.24958 17.003 4.50066 8.78859 6.19899 16.0443 numMergedOcc 0
6 mol 24 unq 4 iso 0 dist 4.93188 5.68215 8.10397 12.3067 9.24958 17.003 5.11617 4.90592 6.61696 13.2229 numMergedOcc 0
7 mol 24 unq 5 iso 0 dist 9.24958 8.87744 7.55689 12.3067 4.93188 10.4135 6.38336 9.32328 4.5711 13.1779 numMergedOcc 0
8 mol 24 unq 6 iso 0 dist 9.24958 7.27472 5.11135 12.3067 4.93188 9.33482 6.38336 9.32328 4.44526 13.1779 numMergedOcc 0
9 mol 24 unq 7 iso 0 dist 9.24958 7.27472 5.11135 12.3067 4.93188 9.33482 6.7828 8.16324 9.586 10.8238 numMergedOcc 0
10 mol 25 unq 0 iso 0 dist 5.81959 7.6114 11.4877 10.6808 6.90155 16.617 5.68392 11.3646 6.29797 15.1839 numMergedOcc 0
11 mol 25 unq 1 iso 0 dist 6.90155 9.48085 13.7717 10.6808 5.81959 17.8732 6.08585 12.7162 6.53269 16.3984 numMergedOcc 0
12 mol 25 unq 2 iso 0 dist 6.90155 9.48085 13.7717 10.6808 5.81959 17.8732 9.15781 15.9412 9.81524 18.5946 numMergedOcc 0
13 mol 60 unq 0 iso 0 dist 7.55695 8.4312 5.71764 7.29309 9.96399 12.8147 5.94827 4.65127 6.63448 11.2415 numMergedOcc 0
14 mol 60 unq 1 iso 0 dist 7.55695 8.4312 5.71764 5.00018 8.82176 7.48086 5.94827 4.65127 6.63448 5.32257 numMergedOcc 0
15 mol 60 unq 2 iso 0 dist 8.82176 7.48086 5.71764 12.2509 9.96399 12.8147 5.32257 4.65127 6.63448 11.2415 numMergedOcc 0
16 mol 60 unq 3 iso 0 dist 8.82176 7.48086 5.71764 5.00018 7.55695 8.4312 5.32257 4.65127 6.63448 5.94827 numMergedOcc 0
17 mol 73 unq 0 iso 0 dist 7.04044 9.73086 7.8972 5.4148 8.73253 7.4369 5.11416 6.48232 6.14542 6.56633 numMergedOcc 0
18 mol 73 unq 1 iso 0 dist 8.73253 8.68662 10.9746 5.4148 7.04044 12.2276 6.56633 6.48232 8.96616 5.11416 numMergedOcc 0
19 mol 73 unq 2 iso 0 dist 8.73253 7.4369 7.8972 5.4148 7.04044 9.73086 6.56633 6.48232 6.14542 5.11416 numMergedOcc 0
20 mol 109 unq 0 iso 0 dist 8.0831 9.89083 11.0597 6.48636 8.67766 12.448 10.0688 14.3781 7.56755 15.5116 numMergedOcc 0
21 mol 119 unq 0 iso 0 dist 7.99857 6.99446 6.29394 4.85907 8.56342 7.64052 10.8661 14.7366 8.67537 12.0175 numMergedOcc 0
22 mol 119 unq 1 iso 0 dist 8.56342 7.64052 6.29394 4.85907 7.99857 6.99446 12.0175 14.7366 8.67537 10.8661 numMergedOcc 0
23 mol 134 unq 0 iso 0 dist 7.36779 9.66543 4.935 5.62899 8.20836 7.21868 7.1797 9.30061 9.0176 4.57832 numMergedOcc 0
24 mol 134 unq 1 iso 0 dist 8.20836 7.21868 4.935 5.62899 7.36779 9.66543 4.57832 9.30061 9.0176 7.1797 numMergedOcc 0
25 mol 141 unq 0 iso 0 dist 6.69515 8.07097 5.25982 6.21253 7.86572 11.5913 10.1386 4.46777 5.92302 10.1432 numMergedOcc 0
26 mol 141 unq 1 iso 0 dist 6.69515 8.07097 5.25982 6.21253 7.86572 11.5913 7.42649 6.94988 5.29898 9.43674 numMergedOcc 0
27 mol 186 unq 0 iso 0 dist 7.24795 8.73533 9.40383 9.41955 9.56197 16.711 7.30024 7.46987 9.45907 9.74148 numMergedOcc 0
28 mol 186 unq 1 iso 0 dist 7.24795 8.73533 9.40383 13.684 8.64409 17.684 7.30024 7.46987 9.45907 11.6919 numMergedOcc 0
29 mol 186 unq 2 iso 0 dist 7.24795 8.73533 9.40383 9.45987 7.60202 13.8845 7.30024 7.46987 9.45907 5.3967 numMergedOcc 0
30 mol 227 unq 0 iso 0 dist 8.38865 5.23634 7.3164 5.22356 5.4694 6.91318 6.35849 14.3567 9.18728 10.204 numMergedOcc 0
31 mol 227 unq 1 iso 0 dist 8.38865 5.23634 7.3164 5.22356 5.4694 6.91318 10.9607 12.135 8.91971 9.72615 numMergedOcc 0
32 mol 227 unq 2 iso 0 dist 5.4694 6.91318 7.3164 5.22356 8.38865 5.23634 10.204 14.3567 9.18728 6.35849 numMergedOcc 0
33 mol 227 unq 3 iso 0 dist 5.4694 6.91318 7.3164 5.22356 8.38865 5.23634 9.72615 12.135 8.91971 10.9607 numMergedOcc 0
34 mol 229 unq 0 iso 0 dist 8.92743 7.27993 6.93188 6.94172 8.08082 11.0297 6.65022 13.9637 9.37336 11.8046 numMergedOcc 0
35 mol 229 unq 1 iso 0 dist 8.92743 7.27993 6.93188 7.0298 5.77318 6.95201 6.65022 13.9637 9.37336 10.2411 numMergedOcc 0
36 mol 229 unq 2 iso 0 dist 8.92743 7.27993 6.93188 15.7694 8.19603 14.1436 6.65022 13.9637 9.37336 20.1747 numMergedOcc 0
37 mol 229 unq 3 iso 0 dist 5.77318 6.95201 6.93188 7.0298 8.92743 7.27993 10.2411 13.9637 9.37336 6.65022 numMergedOcc 0
38 mol 229 unq 4 iso 0 dist 5.77318 6.95201 6.93188 5.5729 8.08082 11.0297 10.2411 13.9637 9.37336 11.8046 numMergedOcc 0
39 mol 229 unq 5 iso 0 dist 5.77318 6.95201 6.93188 9.96077 8.19603 14.1436 10.2411 13.9637 9.37336 20.1747 numMergedOcc 0
40 mol 234 unq 0 iso 0 dist 7.5366 7.81215 11.0592 9.82284 7.56091 16.672 10.0059 16.6111 7.77911 19.7265 numMergedOcc 0
41 mol 234 unq 1 iso 0 dist 7.5366 7.81215 11.0592 5.88703 8.24186 11.6391 10.0059 16.6111 7.77911 13.8349 numMergedOcc 0
42 mol 277 unq 0 iso 0 dist 6.57903 9.57499 14.6871 6.59123 9.65707 10.4733 6.28695 7.85414 9.26157 4.39413 numMergedOcc 0
