0 mol 16 unq 0 iso 0 dist 5.05803 6.31718 6.92781 6.2983 7.03948 5.47769 10.9143 10.7015 5.32694 6.58035 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 6.31718 5.05803 6.92781 6.2983 5.47769 7.03948 10.9143 5.32694 10.7015 6.58035 numMergedOcc 0
2 mol 16 unq 2 iso 0 dist 7.63133 5.46498 5.32694 5.94084 5.47769 6.58035 12.5273 6.92781 10.7015 7.03948 numMergedOcc 0
3 mol 16 unq 3 iso 0 dist 7.63133 8.71745 10.4155 5.94084 5.47769 12.1189 12.5273 6.92781 16.241 7.03948 numMergedOcc 0
4 mol 16 unq 4 iso 0 dist 7.63133 8.71745 10.4155 5.94084 5.47769 12.1189 5.46498 5.32694 5.74188 6.58035 numMergedOcc 0
5 mol 16 unq 5 iso 0 dist 5.46498 7.63133 5.32694 5.94084 6.58035 5.47769 12.5273 10.7015 6.92781 7.03948 numMergedOcc 0
6 mol 16 unq 6 iso 0 dist 5.46498 7.63133 5.32694 6.73355 8.41862 13.0191 8.71745 5.74188 10.4155 8.16785 numMergedOcc 0
7 mol 16 unq 7 iso 0 dist 5.46498 8.71745 5.74188 5.94084 6.58035 12.1189 12.5273 10.7015 16.241 7.03948 numMergedOcc 0
8 mol 16 unq 8 iso 0 dist 5.46498 8.71745 5.74188 5.94084 6.58035 12.1189 7.63133 5.32694 10.4155 5.47769 numMergedOcc 0
9 mol 16 unq 9 iso 0 dist 8.71745 7.63133 10.4155 6.73355 8.16785 13.0191 5.46498 5.74188 5.32694 8.41862 numMergedOcc 0
10 mol 19 unq 0 iso 0 dist 7.20519 4.54938 7.34551 5.5841 9.80108 9.58539 6.864 7.07775 5.80928 8.58657 numMergedOcc 0
11 mol 19 unq 1 iso 0 dist 8.4674 4.54938 7.67038 5.14627 6.20943 7.82528 9.78944 7.83352 10.8007 6.00439 numMergedOcc 0
12 mol 19 unq 2 iso 0 dist 8.4674 7.82074 10.3915 5.14627 6.20943 10.2708 9.78944 7.83352 10.6598 6.00439 numMergedOcc 0
13 mol 19 unq 3 iso 0 dist 8.4674 7.82074 10.3915 5.14627 6.20943 10.2708 4.54938 7.67038 5.03957 7.82528 numMergedOcc 0
14 mol 19 unq 4 iso 0 dist 4.54938 8.4674 7.67038 6.55187 8.23643 14.6255 7.82074 5.03957 10.3915 8.73972 numMergedOcc 0
15 mol 19 unq 5 iso 0 dist 4.54938 8.4674 7.67038 5.14627 7.82528 6.20943 9.78944 10.8007 7.83352 6.00439 numMergedOcc 0
16 mol 19 unq 6 iso 0 dist 4.54938 7.82074 5.03957 5.14627 7.82528 10.2708 9.78944 10.8007 10.6598 6.00439 numMergedOcc 0
17 mol 19 unq 7 iso 0 dist 4.54938 7.82074 5.03957 5.14627 7.82528 10.2708 8.4674 7.67038 10.3915 6.20943 numMergedOcc 0
18 mol 19 unq 8 iso 0 dist 7.82074 8.4674 10.3915 6.55187 8.73972 14.6255 4.54938 5.03957 7.67038 8.23643 numMergedOcc 0
19 mol 19 unq 9 iso 0 dist 4.51865 8.4674 5.80928 6.74265 8.58657 9.58539 10.4091 7.07775 7.34551 9.80108 numMergedOcc 0
20 mol 19 unq 10 iso 0 dist 4.51865 6.864 7.67038 4.69858 6.20943 7.82528 9.56313 7.83352 10.8007 6.00439 numMergedOcc 0
21 mol 19 unq 11 iso 0 dist 6.864 4.54938 5.80928 5.5841 8.58657 9.58539 7.20519 7.07775 7.34551 9.80108 numMergedOcc 0
22 mol 19 unq 12 iso 0 dist 6.864 4.51865 7.67038 12.3093 8.23643 14.6255 11.0366 5.03957 10.3915 8.73972 numMergedOcc 0
23 mol 19 unq 13 iso 0 dist 6.864 4.51865 7.67038 4.69858 7.82528 6.20943 9.56313 10.8007 7.83352 6.00439 numMergedOcc 0
24 mol 45 unq 0 iso 0 dist 6.43774 7.2846 5.24762 4.71384 7.06308 6.34173 10.8302 5.48601 5.101 9.43442 numMergedOcc 0
25 mol 45 unq 1 iso 0 dist 7.2846 6.43774 5.24762 4.71384 6.34173 7.06308 10.8302 5.101 5.48601 9.43442 numMergedOcc 0
26 mol 58 unq 0 iso 0 dist 7.32874 6.81627 5.47421 6.75888 6.40841 10.335 13.4544 11.0466 15.6564 7.58407 numMergedOcc 0
27 mol 58 unq 1 iso 0 dist 7.32874 6.81627 5.47421 6.75888 6.40841 10.335 9.55426 5.90225 9.7274 6.31428 numMergedOcc 0
28 mol 58 unq 2 iso 0 dist 7.32874 9.55426 5.90225 6.75888 6.40841 6.31428 13.4544 11.0466 6.47414 7.58407 numMergedOcc 0
29 mol 58 unq 3 iso 0 dist 6.86465 6.62496 5.30792 6.47744 8.63333 11.5023 6.35756 5.35073 4.81926 8.89374 numMergedOcc 0
30 mol 58 unq 4 iso 0 dist 6.86465 6.62496 5.30792 6.47744 8.63333 11.5023 10.3224 10.8153 13.1243 6.46761 numMergedOcc 0
31 mol 58 unq 5 iso 0 dist 6.86465 6.62496 5.30792 6.47744 8.63333 11.5023 15.4557 14.5953 18.3276 9.73139 numMergedOcc 0
32 mol 58 unq 6 iso 0 dist 6.86465 6.35756 5.35073 6.47744 8.63333 8.89374 10.3224 10.8153 8.62958 6.46761 numMergedOcc 0
33 mol 58 unq 7 iso 0 dist 6.86465 6.35756 5.35073 6.47744 8.63333 8.89374 15.4557 14.5953 14.176 9.73139 numMergedOcc 0
34 mol 58 unq 8 iso 0 dist 6.35756 6.86465 5.35073 6.47744 8.89374 8.63333 10.3224 8.62958 10.8153 6.46761 numMergedOcc 0
35 mol 58 unq 9 iso 0 dist 6.35756 6.86465 5.35073 6.47744 8.89374 8.63333 15.4557 14.176 14.5953 9.73139 numMergedOcc 0
36 mol 58 unq 10 iso 0 dist 6.35756 6.62496 4.81926 6.47744 8.89374 11.5023 6.86465 5.35073 5.30792 8.63333 numMergedOcc 0
37 mol 58 unq 11 iso 0 dist 6.35756 6.62496 4.81926 6.47744 8.89374 11.5023 10.3224 8.62958 13.1243 6.46761 numMergedOcc 0
38 mol 58 unq 12 iso 0 dist 6.35756 6.62496 4.81926 6.47744 8.89374 11.5023 15.4557 14.176 18.3276 9.73139 numMergedOcc 0
39 mol 58 unq 13 iso 0 dist 6.64012 9.4099 6.47414 5.24906 6.46761 9.73139 13.497 10.8153 14.5953 8.63333 numMergedOcc 0
40 mol 58 unq 14 iso 0 dist 6.64012 9.4099 6.47414 5.24906 6.46761 9.73139 12.1902 8.62958 14.176 8.89374 numMergedOcc 0
41 mol 58 unq 15 iso 0 dist 6.64012 9.4099 6.47414 5.11205 7.58407 6.31428 11.396 11.0466 5.90225 6.40841 numMergedOcc 0
42 mol 58 unq 16 iso 0 dist 9.4099 6.64012 6.47414 5.24906 9.73139 6.46761 13.497 14.5953 10.8153 8.63333 numMergedOcc 0
43 mol 58 unq 17 iso 0 dist 9.4099 6.64012 6.47414 5.24906 9.73139 6.46761 12.1902 14.176 8.62958 8.89374 numMergedOcc 0
44 mol 58 unq 18 iso 0 dist 9.4099 6.64012 6.47414 5.11205 6.31428 7.58407 11.396 5.90225 11.0466 6.40841 numMergedOcc 0
45 mol 58 unq 19 iso 0 dist 9.55426 6.81627 9.7274 13.1021 9.73139 15.9764 20.7459 14.5953 21.6158 8.63333 numMergedOcc 0
46 mol 58 unq 20 iso 0 dist 9.55426 6.81627 9.7274 13.1021 9.73139 15.9764 20.984 14.176 22.7659 8.89374 numMergedOcc 0
47 mol 58 unq 21 iso 0 dist 9.55426 6.81627 9.7274 13.1021 9.73139 15.9764 13.4544 6.47414 15.6564 6.46761 numMergedOcc 0
48 mol 58 unq 22 iso 0 dist 9.55426 6.81627 9.7274 6.75888 6.31428 10.335 7.32874 5.90225 5.47421 6.40841 numMergedOcc 0
49 mol 58 unq 23 iso 0 dist 9.55426 6.81627 9.7274 6.75888 6.31428 10.335 13.4544 6.47414 15.6564 7.58407 numMergedOcc 0
50 mol 58 unq 24 iso 0 dist 9.55426 7.32874 5.90225 13.1021 9.73139 10.9482 20.7459 14.5953 16.1448 8.63333 numMergedOcc 0
51 mol 58 unq 25 iso 0 dist 9.55426 7.32874 5.90225 13.1021 9.73139 10.9482 20.984 14.176 17.446 8.89374 numMergedOcc 0
52 mol 58 unq 26 iso 0 dist 9.55426 7.32874 5.90225 13.1021 9.73139 10.9482 13.4544 6.47414 11.0466 6.46761 numMergedOcc 0
53 mol 58 unq 27 iso 0 dist 9.55426 7.32874 5.90225 6.75888 6.31428 6.40841 13.4544 6.47414 11.0466 7.58407 numMergedOcc 0
54 mol 58 unq 28 iso 0 dist 9.55426 9.4099 10.6169 10.3782 8.26899 13.7148 12.7357 7.08557 8.84991 9.33535 numMergedOcc 0
55 mol 72 unq 0 iso 0 dist 9.96708 9.78528 8.24309 7.11552 6.77912 11.9814 10.8086 5.36766 7.04035 8.624 numMergedOcc 0
56 mol 73 unq 0 iso 0 dist 9.96396 6.19304 5.4148 7.41074 8.70133 4.65521 11.4799 7.4697 5.7113 5.64598 numMergedOcc 0
57 mol 73 unq 1 iso 0 dist 9.96396 8.70481 14.9342 7.41074 8.70133 15.9587 11.4799 7.4697 19.0652 5.64598 numMergedOcc 0
58 mol 73 unq 2 iso 0 dist 9.96396 8.70481 14.9342 7.41074 8.70133 15.9587 6.19304 5.4148 13.3558 4.65521 numMergedOcc 0
59 mol 73 unq 3 iso 0 dist 6.19304 9.96396 5.4148 7.41074 4.65521 8.70133 11.4799 5.7113 7.4697 5.64598 numMergedOcc 0
60 mol 73 unq 4 iso 0 dist 6.19304 8.70481 13.3558 7.41074 4.65521 15.9587 9.96396 5.4148 14.9342 8.70133 numMergedOcc 0
61 mol 73 unq 5 iso 0 dist 6.19304 8.70481 13.3558 7.41074 4.65521 15.9587 11.4799 5.7113 19.0652 5.64598 numMergedOcc 0
62 mol 85 unq 0 iso 0 dist 6.19965 7.95579 4.26409 11.6116 9.47876 13.6587 7.66905 6.9948 10.7229 7.22293 numMergedOcc 0
63 mol 85 unq 1 iso 0 dist 7.66905 7.95579 10.7229 11.6116 7.22293 13.6587 6.19965 6.9948 4.26409 9.47876 numMergedOcc 0
64 mol 92 unq 0 iso 0 dist 7.4729 6.82344 8.95922 6.99832 5.81965 9.70512 11.862 5.02055 12.4494 7.06013 numMergedOcc 0
65 mol 92 unq 1 iso 0 dist 6.82344 7.4729 8.95922 6.99832 9.70512 5.81965 11.862 12.4494 5.02055 7.06013 numMergedOcc 0
66 mol 100 unq 0 iso 0 dist 7.47343 6.45675 5.33144 15.209 7.75343 11.8016 12.0662 5.88134 7.1752 6.58204 numMergedOcc 0
67 mol 100 unq 1 iso 0 dist 7.47343 8.86688 10.1407 15.209 7.75343 15.6924 12.0662 5.88134 14.8365 6.58204 numMergedOcc 0
68 mol 117 unq 0 iso 0 dist 7.90328 7.0603 9.3584 4.91401 6.62561 10.6107 7.83136 7.22206 7.21564 7.63616 numMergedOcc 0
69 mol 117 unq 1 iso 0 dist 7.83136 7.0603 7.21564 4.91401 7.63616 10.6107 7.90328 7.22206 9.3584 6.62561 numMergedOcc 0
70 mol 131 unq 0 iso 0 dist 7.12972 8.40312 5.55373 6.19596 8.6243 12.5969 6.85062 6.63273 10.7062 6.91348 numMergedOcc 0
71 mol 131 unq 1 iso 0 dist 6.85062 8.40312 10.7062 6.19596 6.91348 12.5969 7.12972 6.63273 5.55373 8.6243 numMergedOcc 0
72 mol 134 unq 0 iso 0 dist 6.54501 9.89303 5.79898 10.1448 8.6355 12.0514 11.9139 8.80819 6.86927 8.79571 numMergedOcc 0
73 mol 134 unq 1 iso 0 dist 6.54501 9.89303 5.79898 10.1448 8.6355 12.0514 9.5126 5.00817 7.11631 5.42582 numMergedOcc 0
74 mol 134 unq 2 iso 0 dist 8.94367 6.37586 5.49782 5.41704 8.79571 5.42582 6.49416 8.80819 5.00817 8.6355 numMergedOcc 0
75 mol 134 unq 3 iso 0 dist 8.94367 6.49416 8.80819 5.41704 8.79571 8.6355 6.37586 5.49782 5.00817 5.42582 numMergedOcc 0
76 mol 134 unq 4 iso 0 dist 6.37586 8.94367 5.49782 5.41704 5.42582 8.79571 6.49416 5.00817 8.80819 8.6355 numMergedOcc 0
77 mol 134 unq 5 iso 0 dist 6.37586 6.49416 5.00817 5.41704 5.42582 8.6355 8.94367 5.49782 8.80819 8.79571 numMergedOcc 0
78 mol 134 unq 6 iso 0 dist 6.49416 8.94367 8.80819 5.41704 8.6355 8.79571 6.37586 5.00817 5.49782 5.42582 numMergedOcc 0
79 mol 134 unq 7 iso 0 dist 6.49416 6.37586 5.00817 5.41704 8.6355 5.42582 8.94367 8.80819 5.49782 8.79571 numMergedOcc 0
80 mol 134 unq 8 iso 0 dist 9.86662 9.71307 5.49782 6.17103 8.79571 5.42582 12.5075 8.80819 5.00817 8.6355 numMergedOcc 0
81 mol 134 unq 9 iso 0 dist 9.71307 9.86662 5.49782 6.17103 5.42582 8.79571 12.5075 5.00817 8.80819 8.6355 numMergedOcc 0
82 mol 155 unq 0 iso 0 dist 7.46303 6.43582 7.66392 6.3437 9.17284 12.2465 12.3052 10.6882 14.7007 9.87281 numMergedOcc 0
83 mol 155 unq 1 iso 0 dist 7.46303 6.43582 7.66392 6.3437 9.17284 12.2465 13.4817 12.1545 17.3001 8.87452 numMergedOcc 0
84 mol 155 unq 2 iso 0 dist 6.43582 7.46303 7.66392 8.27726 7.36102 12.1081 10.7829 10.7616 10.7349 7.39644 numMergedOcc 0
85 mol 156 unq 0 iso 0 dist 7.44554 8.94056 5.56175 6.29785 9.36805 13.1853 10.4649 5.76755 11.1775 8.47155 numMergedOcc 0
86 mol 156 unq 1 iso 0 dist 7.44554 8.94056 5.56175 6.29785 9.36805 13.1853 9.83699 8.38403 11.2719 7.55203 numMergedOcc 0
87 mol 156 unq 2 iso 0 dist 7.44554 9.83699 8.38403 6.29785 9.36805 7.55203 10.4649 5.76755 7.60354 8.47155 numMergedOcc 0
88 mol 156 unq 3 iso 0 dist 9.83699 7.44554 8.38403 6.29785 7.55203 9.36805 10.4649 7.60354 5.76755 8.47155 numMergedOcc 0
89 mol 156 unq 4 iso 0 dist 9.83699 8.94056 11.2719 6.29785 7.55203 13.1853 10.4649 7.60354 11.1775 8.47155 numMergedOcc 0
90 mol 156 unq 5 iso 0 dist 9.83699 8.94056 11.2719 6.29785 7.55203 13.1853 7.44554 8.38403 5.56175 9.36805 numMergedOcc 0
91 mol 214 unq 0 iso 0 dist 8.85478 9.65138 4.40923 6.67959 7.46831 10.852 11.9355 10.3105 12.1198 8.60247 numMergedOcc 0
92 mol 214 unq 1 iso 0 dist 8.85478 7.14453 11.3796 6.67959 7.46831 12.6888 11.9355 10.3105 14.0682 8.60247 numMergedOcc 0
93 mol 224 unq 0 iso 0 dist 8.95269 5.78342 11.5372 5.29877 6.67585 10.667 6.57273 4.70378 8.49799 6.65984 numMergedOcc 0
94 mol 224 unq 1 iso 0 dist 6.57273 5.78342 8.49799 5.29877 6.65984 10.667 8.95269 4.70378 11.5372 6.67585 numMergedOcc 0
95 mol 224 unq 2 iso 0 dist 6.60589 6.65832 6.77699 6.12232 6.65984 11.0097 9.99123 4.70378 10.9861 6.67585 numMergedOcc 0
96 mol 224 unq 3 iso 0 dist 6.60589 9.16166 8.49799 6.12232 6.65984 10.667 9.99123 4.70378 11.5372 6.67585 numMergedOcc 0
97 mol 227 unq 0 iso 0 dist 7.22101 9.34734 6.99063 6.43754 8.17891 12.4085 8.65997 5.22356 7.60506 6.95902 numMergedOcc 0
98 mol 227 unq 1 iso 0 dist 7.22101 7.56888 10.8658 6.43754 8.17891 11.004 8.65997 5.22356 9.70012 6.95902 numMergedOcc 0
99 mol 227 unq 2 iso 0 dist 7.22101 7.55216 12.4689 6.43754 8.17891 12.8864 8.65997 5.22356 12.9332 6.95902 numMergedOcc 0
100 mol 227 unq 3 iso 0 dist 8.65997 9.34734 7.60506 6.43754 6.95902 12.4085 7.22101 5.22356 6.99063 8.17891 numMergedOcc 0
101 mol 227 unq 4 iso 0 dist 8.65997 7.56888 9.70012 6.43754 6.95902 11.004 7.22101 5.22356 10.8658 8.17891 numMergedOcc 0
102 mol 227 unq 5 iso 0 dist 8.65997 7.55216 12.9332 6.43754 6.95902 12.8864 7.22101 5.22356 12.4689 8.17891 numMergedOcc 0
103 mol 236 unq 0 iso 0 dist 8.35971 8.04248 7.43758 6.40312 7.17676 10.6445 11.2141 7.28249 12.8967 5.34718 numMergedOcc 0
104 mol 238 unq 0 iso 0 dist 7.31233 6.22714 5.34096 10.4664 6.55759 10.5202 10.0756 5.42006 7.17989 5.38637 numMergedOcc 0
105 mol 238 unq 1 iso 0 dist 7.31233 6.22714 5.34096 11.2717 7.02475 12.1784 12.4767 12.9854 16.3479 8.96531 numMergedOcc 0
106 mol 259 unq 0 iso 0 dist 7.88519 8.13497 4.69778 11.6195 7.48005 10.9591 15.9169 12.5353 13.2121 8.37865 numMergedOcc 0
107 mol 282 unq 0 iso 0 dist 8.04483 8.76532 10.0156 6.3384 6.85028 10.4802 6.33524 5.39891 4.66602 7.32347 numMergedOcc 0
108 mol 282 unq 1 iso 0 dist 8.04483 8.76532 10.0156 6.3384 6.85028 10.4802 13.5481 7.76539 13.8266 8.3411 numMergedOcc 0
109 mol 282 unq 2 iso 0 dist 8.04483 6.33524 5.39891 6.3384 6.85028 7.32347 13.5481 7.76539 10.5372 8.3411 numMergedOcc 0
110 mol 282 unq 3 iso 0 dist 6.33524 8.04483 5.39891 6.3384 7.32347 6.85028 13.5481 10.5372 7.76539 8.3411 numMergedOcc 0
111 mol 282 unq 4 iso 0 dist 6.33524 8.76532 4.66602 6.3384 7.32347 10.4802 8.04483 5.39891 10.0156 6.85028 numMergedOcc 0
112 mol 282 unq 5 iso 0 dist 6.33524 8.76532 4.66602 6.3384 7.32347 10.4802 13.5481 10.5372 13.8266 8.3411 numMergedOcc 0
