0 mol 16 unq 0 iso 0 dist 5.46498 6.58035 5.94084 8.41862 6.73355 10.9633 5.32694 7.63133 5.47769 13.0191 numMergedOcc 0
1 mol 16 unq 0 iso 1 dist 5.46498 8.41862 6.73355 6.58035 5.94084 10.9633 5.32694 7.63133 13.0191 5.47769 numMergedOcc 0
2 mol 16 unq 1 iso 0 dist 5.46498 6.58035 5.94084 8.41862 6.73355 10.9633 5.74188 8.71745 12.1189 8.16785 numMergedOcc 0
3 mol 16 unq 1 iso 1 dist 5.46498 8.41862 6.73355 6.58035 5.94084 10.9633 5.74188 8.71745 8.16785 12.1189 numMergedOcc 0
4 mol 19 unq 0 iso 0 dist 4.54938 8.78293 10.9543 8.23643 6.55187 12.7954 7.67038 8.4674 13.4721 14.6255 numMergedOcc 0
5 mol 19 unq 0 iso 1 dist 4.54938 8.23643 6.55187 8.78293 10.9543 12.7954 7.67038 8.4674 14.6255 13.4721 numMergedOcc 0
6 mol 19 unq 1 iso 0 dist 4.54938 8.78293 10.9543 8.23643 6.55187 12.7954 5.03957 7.82074 12.6444 8.73972 numMergedOcc 0
7 mol 19 unq 1 iso 1 dist 4.54938 8.23643 6.55187 8.78293 10.9543 12.7954 5.03957 7.82074 8.73972 12.6444 numMergedOcc 0
8 mol 19 unq 2 iso 0 dist 4.54938 8.78293 10.9543 7.82528 5.14627 14.7664 7.67038 8.4674 13.4721 6.20943 numMergedOcc 0
9 mol 19 unq 2 iso 1 dist 4.54938 7.82528 5.14627 8.78293 10.9543 14.7664 7.67038 8.4674 6.20943 13.4721 numMergedOcc 0
10 mol 19 unq 3 iso 0 dist 4.54938 8.78293 10.9543 7.82528 5.14627 14.7664 5.03957 7.82074 12.6444 10.2708 numMergedOcc 0
11 mol 19 unq 3 iso 1 dist 4.54938 7.82528 5.14627 8.78293 10.9543 14.7664 5.03957 7.82074 10.2708 12.6444 numMergedOcc 0
12 mol 19 unq 2 iso 0 dist 4.54938 8.23643 6.55187 7.82528 5.14627 11.0033 7.67038 8.4674 14.6255 6.20943 numMergedOcc 0
13 mol 19 unq 2 iso 1 dist 4.54938 7.82528 5.14627 8.23643 6.55187 11.0033 7.67038 8.4674 6.20943 14.6255 numMergedOcc 0
14 mol 19 unq 3 iso 0 dist 4.54938 8.23643 6.55187 7.82528 5.14627 11.0033 5.03957 7.82074 8.73972 10.2708 numMergedOcc 0
15 mol 19 unq 3 iso 1 dist 4.54938 7.82528 5.14627 8.23643 6.55187 11.0033 5.03957 7.82074 10.2708 8.73972 numMergedOcc 0
16 mol 19 unq 4 iso 0 dist 6.864 8.78293 11.4401 8.23643 12.3093 12.7954 7.67038 4.51865 13.4721 14.6255 numMergedOcc 0
17 mol 19 unq 4 iso 1 dist 6.864 8.23643 12.3093 8.78293 11.4401 12.7954 7.67038 4.51865 14.6255 13.4721 numMergedOcc 0
18 mol 19 unq 5 iso 0 dist 6.864 8.78293 11.4401 7.82528 4.69858 14.7664 7.67038 4.51865 13.4721 6.20943 numMergedOcc 0
19 mol 19 unq 5 iso 1 dist 6.864 7.82528 4.69858 8.78293 11.4401 14.7664 7.67038 4.51865 6.20943 13.4721 numMergedOcc 0
20 mol 19 unq 5 iso 0 dist 6.864 8.23643 12.3093 7.82528 4.69858 11.0033 7.67038 4.51865 14.6255 6.20943 numMergedOcc 0
21 mol 19 unq 5 iso 1 dist 6.864 7.82528 4.69858 8.23643 12.3093 11.0033 7.67038 4.51865 6.20943 14.6255 numMergedOcc 0
22 mol 58 unq 0 iso 0 dist 6.64012 6.46761 5.24906 7.58407 5.11205 6.44201 6.47414 9.4099 9.73139 6.31428 numMergedOcc 0
23 mol 58 unq 0 iso 1 dist 6.64012 7.58407 5.11205 6.46761 5.24906 6.44201 6.47414 9.4099 6.31428 9.73139 numMergedOcc 0
24 mol 58 unq 1 iso 0 dist 9.4099 9.73139 5.24906 6.31428 5.11205 6.44201 6.47414 6.64012 6.46761 7.58407 numMergedOcc 0
25 mol 58 unq 1 iso 1 dist 9.4099 6.31428 5.11205 9.73139 5.24906 6.44201 6.47414 6.64012 7.58407 6.46761 numMergedOcc 0
26 mol 58 unq 2 iso 0 dist 9.55426 9.73139 13.1021 6.31428 6.75888 6.44201 9.7274 6.81627 15.9764 10.335 numMergedOcc 0
27 mol 58 unq 2 iso 1 dist 9.55426 6.31428 6.75888 9.73139 13.1021 6.44201 9.7274 6.81627 10.335 15.9764 numMergedOcc 0
28 mol 58 unq 3 iso 0 dist 9.55426 9.73139 13.1021 6.31428 6.75888 6.44201 5.90225 7.32874 10.9482 6.40841 numMergedOcc 0
29 mol 58 unq 3 iso 1 dist 9.55426 6.31428 6.75888 9.73139 13.1021 6.44201 5.90225 7.32874 6.40841 10.9482 numMergedOcc 0
30 mol 88 unq 0 iso 0 dist 9.36773 8.66514 8.4283 9.25235 5.37521 4.61166 5.57085 8.31336 10.6733 8.69012 numMergedOcc 0
31 mol 88 unq 0 iso 1 dist 9.36773 9.25235 5.37521 8.66514 8.4283 4.61166 5.57085 8.31336 8.69012 10.6733 numMergedOcc 0
32 mol 115 unq 0 iso 0 dist 9.33865 9.66954 6.09023 7.64585 10.2377 12.0796 7.69052 5.83991 8.66155 12.2309 numMergedOcc 0
33 mol 115 unq 0 iso 1 dist 9.33865 7.64585 10.2377 9.66954 6.09023 12.0796 7.69052 5.83991 12.2309 8.66155 numMergedOcc 0
34 mol 115 unq 1 iso 0 dist 6.11741 9.66954 4.61908 7.64585 10.8939 12.0796 7.69052 7.88312 8.66155 12.2309 numMergedOcc 0
35 mol 115 unq 1 iso 1 dist 6.11741 7.64585 10.8939 9.66954 4.61908 12.0796 7.69052 7.88312 12.2309 8.66155 numMergedOcc 0
36 mol 115 unq 2 iso 0 dist 6.11741 6.99777 10.8292 9.14376 6.12943 11.889 8.02349 9.33865 13.9977 9.65429 numMergedOcc 0
37 mol 115 unq 2 iso 1 dist 6.11741 9.14376 6.12943 6.99777 10.8292 11.889 8.02349 9.33865 9.65429 13.9977 numMergedOcc 0
38 mol 115 unq 3 iso 0 dist 7.88312 6.99777 11.7126 9.14376 4.62962 11.889 11.5723 7.30858 11.695 10.0603 numMergedOcc 0
39 mol 115 unq 3 iso 1 dist 7.88312 9.14376 4.62962 6.99777 11.7126 11.889 11.5723 7.30858 10.0603 11.695 numMergedOcc 0
40 mol 115 unq 4 iso 0 dist 7.88312 6.99777 11.7126 9.14376 4.62962 11.889 8.02349 5.83991 13.9977 9.65429 numMergedOcc 0
41 mol 115 unq 4 iso 1 dist 7.88312 9.14376 4.62962 6.99777 11.7126 11.889 8.02349 5.83991 9.65429 13.9977 numMergedOcc 0
42 mol 131 unq 0 iso 0 dist 6.85062 6.91348 6.19596 9.51418 6.6499 10.2027 10.7062 8.40312 12.5969 13.6559 numMergedOcc 0
43 mol 131 unq 0 iso 1 dist 6.85062 9.51418 6.6499 6.91348 6.19596 10.2027 10.7062 8.40312 13.6559 12.5969 numMergedOcc 0
44 mol 131 unq 1 iso 0 dist 6.85062 6.91348 6.19596 9.51418 6.6499 10.2027 6.63273 7.12972 8.6243 12.9472 numMergedOcc 0
45 mol 131 unq 1 iso 1 dist 6.85062 9.51418 6.6499 6.91348 6.19596 10.2027 6.63273 7.12972 12.9472 8.6243 numMergedOcc 0
46 mol 155 unq 0 iso 0 dist 6.23493 7.16254 6.3845 9.86313 5.86939 7.63368 5.71071 7.46303 9.14392 7.51198 numMergedOcc 0
47 mol 155 unq 0 iso 1 dist 6.23493 9.86313 5.86939 7.16254 6.3845 7.63368 5.71071 7.46303 7.51198 9.14392 numMergedOcc 0
48 mol 155 unq 1 iso 0 dist 7.46303 9.14392 6.3845 7.51198 5.86939 7.63368 5.71071 6.23493 7.16254 9.86313 numMergedOcc 0
49 mol 155 unq 1 iso 1 dist 7.46303 7.51198 5.86939 9.14392 6.3845 7.63368 5.71071 6.23493 9.86313 7.16254 numMergedOcc 0
50 mol 155 unq 2 iso 0 dist 6.43582 9.38946 12.8482 7.36102 8.27726 5.68272 7.66392 7.46303 15.9495 12.1081 numMergedOcc 0
51 mol 155 unq 2 iso 1 dist 6.43582 7.36102 8.27726 9.38946 12.8482 5.68272 7.66392 7.46303 12.1081 15.9495 numMergedOcc 0
52 mol 181 unq 0 iso 0 dist 9.1374 6.94688 6.25083 6.71012 4.77278 5.3528 13.2049 8.03334 12.1309 12.2058 numMergedOcc 0
53 mol 181 unq 0 iso 1 dist 9.1374 6.71012 4.77278 6.94688 6.25083 5.3528 13.2049 8.03334 12.2058 12.1309 numMergedOcc 0
54 mol 181 unq 1 iso 0 dist 5.98885 6.94688 5.86342 6.71012 9.14057 5.3528 10.1912 9.09537 14.4632 15.4777 numMergedOcc 0
55 mol 181 unq 1 iso 1 dist 5.98885 6.71012 9.14057 6.94688 5.86342 5.3528 10.1912 9.09537 15.4777 14.4632 numMergedOcc 0
56 mol 181 unq 2 iso 0 dist 5.98885 7.20046 5.4601 7.13543 10.0524 6.33699 8.88798 9.1374 10.2276 10.7636 numMergedOcc 0
57 mol 181 unq 2 iso 1 dist 5.98885 7.13543 10.0524 7.20046 5.4601 6.33699 8.88798 9.1374 10.7636 10.2276 numMergedOcc 0
58 mol 181 unq 3 iso 0 dist 5.98885 7.20046 5.4601 7.13543 10.0524 6.33699 5.16002 9.15386 11.968 11.8099 numMergedOcc 0
59 mol 181 unq 3 iso 1 dist 5.98885 7.13543 10.0524 7.20046 5.4601 6.33699 5.16002 9.15386 11.8099 11.968 numMergedOcc 0
60 mol 224 unq 0 iso 0 dist 8.95269 7.06793 9.36098 6.67585 5.29877 6.88258 4.70378 6.57273 10.0414 6.65984 numMergedOcc 0
61 mol 224 unq 0 iso 1 dist 8.95269 6.67585 5.29877 7.06793 9.36098 6.88258 4.70378 6.57273 6.65984 10.0414 numMergedOcc 0
62 mol 224 unq 1 iso 0 dist 8.95269 7.06793 9.36098 6.67585 5.29877 6.88258 11.5372 5.78342 12.7072 10.667 numMergedOcc 0
63 mol 224 unq 1 iso 1 dist 8.95269 6.67585 5.29877 7.06793 9.36098 6.88258 11.5372 5.78342 10.667 12.7072 numMergedOcc 0
64 mol 227 unq 0 iso 0 dist 8.65997 9.62609 14.6185 6.95902 6.43754 8.55671 7.60506 9.34734 17.0949 12.4085 numMergedOcc 0
65 mol 227 unq 0 iso 1 dist 8.65997 6.95902 6.43754 9.62609 14.6185 8.55671 7.60506 9.34734 12.4085 17.0949 numMergedOcc 0
66 mol 227 unq 1 iso 0 dist 8.65997 9.62609 14.6185 6.95902 6.43754 8.55671 5.22356 7.22101 13.4493 8.17891 numMergedOcc 0
67 mol 227 unq 1 iso 1 dist 8.65997 6.95902 6.43754 9.62609 14.6185 8.55671 5.22356 7.22101 8.17891 13.4493 numMergedOcc 0
68 mol 227 unq 2 iso 0 dist 8.65997 9.62609 14.6185 6.95902 6.43754 8.55671 9.70012 7.56888 16.5207 11.004 numMergedOcc 0
69 mol 227 unq 2 iso 1 dist 8.65997 6.95902 6.43754 9.62609 14.6185 8.55671 9.70012 7.56888 11.004 16.5207 numMergedOcc 0
70 mol 227 unq 3 iso 0 dist 8.65997 9.62609 14.6185 6.95902 6.43754 8.55671 12.9332 7.55216 19.8174 12.8864 numMergedOcc 0
71 mol 227 unq 3 iso 1 dist 8.65997 6.95902 6.43754 9.62609 14.6185 8.55671 12.9332 7.55216 12.8864 19.8174 numMergedOcc 0
72 mol 234 unq 0 iso 0 dist 9.45496 9.5707 15.9563 7.85175 11.216 5.32617 5.88703 6.56247 10.3388 6.25105 numMergedOcc 0
73 mol 234 unq 0 iso 1 dist 9.45496 7.85175 11.216 9.5707 15.9563 5.32617 5.88703 6.56247 6.25105 10.3388 numMergedOcc 0
74 mol 234 unq 1 iso 0 dist 6.7625 9.5707 14.4106 7.85175 11.4315 5.32617 5.88703 9.36357 10.3388 6.25105 numMergedOcc 0
75 mol 234 unq 1 iso 1 dist 6.7625 7.85175 11.4315 9.5707 14.4106 5.32617 5.88703 9.36357 6.25105 10.3388 numMergedOcc 0
76 mol 236 unq 0 iso 0 dist 8.03456 7.17676 11.8759 6.68463 9.07822 7.88539 7.28249 9.81562 5.34718 10.5713 numMergedOcc 0
77 mol 236 unq 0 iso 1 dist 8.03456 6.68463 9.07822 7.17676 11.8759 7.88539 7.28249 9.81562 10.5713 5.34718 numMergedOcc 0
78 mol 236 unq 1 iso 0 dist 6.84306 7.17676 11.3552 6.68463 11.6837 7.88539 7.28249 7.68742 5.34718 10.5713 numMergedOcc 0
79 mol 236 unq 1 iso 1 dist 6.84306 6.68463 11.6837 7.17676 11.3552 7.88539 7.28249 7.68742 10.5713 5.34718 numMergedOcc 0
80 mol 236 unq 2 iso 0 dist 9.99038 7.17676 6.04825 6.68463 8.8265 7.88539 7.28249 6.27581 5.34718 10.5713 numMergedOcc 0
81 mol 236 unq 2 iso 1 dist 9.99038 6.68463 8.8265 7.17676 6.04825 7.88539 7.28249 6.27581 10.5713 5.34718 numMergedOcc 0
82 mol 236 unq 3 iso 0 dist 8.35971 7.17676 6.40312 6.68463 6.2568 7.88539 7.43758 8.04248 10.6445 10.5433 numMergedOcc 0
83 mol 236 unq 3 iso 1 dist 8.35971 6.68463 6.2568 7.17676 6.40312 7.88539 7.43758 8.04248 10.5433 10.6445 numMergedOcc 0
84 mol 238 unq 0 iso 0 dist 7.31233 6.55759 10.4664 7.02475 11.2717 6.44245 5.34096 6.22714 10.5202 12.1784 numMergedOcc 0
85 mol 238 unq 0 iso 1 dist 7.31233 7.02475 11.2717 6.55759 10.4664 6.44245 5.34096 6.22714 12.1784 10.5202 numMergedOcc 0
86 mol 238 unq 1 iso 0 dist 7.31233 6.55759 10.4664 7.67322 12.6986 10.677 5.34096 6.22714 10.5202 12.1937 numMergedOcc 0
87 mol 238 unq 1 iso 1 dist 7.31233 7.67322 12.6986 6.55759 10.4664 10.677 5.34096 6.22714 12.1937 10.5202 numMergedOcc 0
88 mol 238 unq 2 iso 0 dist 7.31233 6.55759 10.4664 7.19008 5.17471 12.1411 5.34096 6.22714 10.5202 7.49471 numMergedOcc 0
89 mol 238 unq 2 iso 1 dist 7.31233 7.19008 5.17471 6.55759 10.4664 12.1411 5.34096 6.22714 7.49471 10.5202 numMergedOcc 0
90 mol 238 unq 1 iso 0 dist 7.31233 7.02475 11.2717 7.67322 12.6986 5.44694 5.34096 6.22714 12.1784 12.1937 numMergedOcc 0
91 mol 238 unq 1 iso 1 dist 7.31233 7.67322 12.6986 7.02475 11.2717 5.44694 5.34096 6.22714 12.1937 12.1784 numMergedOcc 0
92 mol 238 unq 2 iso 0 dist 7.31233 7.02475 11.2717 7.19008 5.17471 10.1756 5.34096 6.22714 12.1784 7.49471 numMergedOcc 0
93 mol 238 unq 2 iso 1 dist 7.31233 7.19008 5.17471 7.02475 11.2717 10.1756 5.34096 6.22714 7.49471 12.1784 numMergedOcc 0
94 mol 238 unq 2 iso 0 dist 7.31233 7.67322 12.6986 7.19008 5.17471 9.50847 5.34096 6.22714 12.1937 7.49471 numMergedOcc 0
95 mol 238 unq 2 iso 1 dist 7.31233 7.19008 5.17471 7.67322 12.6986 9.50847 5.34096 6.22714 7.49471 12.1937 numMergedOcc 0
96 mol 272 unq 0 iso 0 dist 8.46116 9.09992 5.63139 6.16449 8.52877 9.75529 5.40809 8.33638 6.73206 10.1966 numMergedOcc 0
97 mol 272 unq 0 iso 1 dist 8.46116 6.16449 8.52877 9.09992 5.63139 9.75529 5.40809 8.33638 10.1966 6.73206 numMergedOcc 0
