0 mol 8 unq 0 iso 0 dist 8.96553 9.62879 8.4069 8.27181 8.33604 13.3876 7.12261 12.536 9.01112 15.1208 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 5.05803 6.31718 6.92781 6.2983 7.03948 5.47769 4.65873 6.57331 8.43054 4.68733 numMergedOcc 0
2 mol 16 unq 1 iso 0 dist 6.31718 5.05803 6.92781 6.2983 5.47769 7.03948 5.01101 11.0298 6.42835 9.87867 numMergedOcc 0
3 mol 16 unq 2 iso 0 dist 6.31718 5.05803 6.92781 6.2983 5.47769 7.03948 4.65873 8.43054 6.57331 4.68733 numMergedOcc 0
4 mol 16 unq 3 iso 0 dist 5.46498 7.63133 5.32694 5.94084 6.58035 5.47769 9.81307 11.1513 8.43054 4.68733 numMergedOcc 0
5 mol 16 unq 4 iso 0 dist 5.46498 7.63133 5.32694 6.73355 8.41862 13.0191 9.81307 11.1513 8.43054 15.0531 numMergedOcc 0
6 mol 16 unq 5 iso 0 dist 8.71745 7.63133 10.4155 6.73355 8.16785 13.0191 9.81307 16.7405 8.43054 15.0531 numMergedOcc 0
7 mol 24 unq 0 iso 0 dist 6.86014 8.86116 10.0952 5.39241 9.75144 12.4274 11.6226 16.0162 8.09311 12.7111 numMergedOcc 0
8 mol 24 unq 1 iso 0 dist 6.86014 8.86116 10.0952 5.39241 9.75144 12.4274 13.1949 16.8554 9.05357 17.3016 numMergedOcc 0
9 mol 43 unq 0 iso 0 dist 6.20293 5.73819 5.06502 9.49077 9.83618 13.5377 5.07458 10.0168 6.66407 14.3756 numMergedOcc 0
10 mol 45 unq 0 iso 0 dist 6.43774 7.2846 5.24762 4.71384 7.06308 6.34173 6.42339 11.5679 9.33906 6.00679 numMergedOcc 0
11 mol 58 unq 0 iso 0 dist 7.32874 6.81627 5.47421 6.75888 6.40841 10.335 5.61579 8.69057 5.38524 11.0945 numMergedOcc 0
12 mol 58 unq 1 iso 0 dist 6.86465 6.62496 5.30792 6.47744 8.63333 11.5023 9.87158 13.3281 9.22598 14.6599 numMergedOcc 0
13 mol 58 unq 2 iso 0 dist 6.86465 6.35756 5.35073 6.47744 8.63333 8.89374 9.87158 13.3281 8.96727 14.6599 numMergedOcc 0
14 mol 58 unq 3 iso 0 dist 6.86465 6.35756 5.35073 6.47744 8.63333 8.89374 5.86526 11.5155 8.01308 9.47022 numMergedOcc 0
15 mol 58 unq 4 iso 0 dist 6.62496 6.35756 4.81926 4.67832 9.64665 9.66798 9.87158 9.22598 8.96727 8.59939 numMergedOcc 0
16 mol 58 unq 5 iso 0 dist 6.62496 6.35756 4.81926 4.67832 9.64665 9.66798 5.86526 9.55996 8.01308 4.03439 numMergedOcc 0
17 mol 58 unq 6 iso 0 dist 6.35756 6.62496 4.81926 6.47744 8.89374 11.5023 9.87158 8.96727 9.22598 14.6599 numMergedOcc 0
18 mol 58 unq 7 iso 0 dist 9.55426 6.81627 9.7274 13.1021 9.73139 15.9764 5.61579 13.1897 5.38524 16.9237 numMergedOcc 0
19 mol 58 unq 8 iso 0 dist 9.55426 6.81627 9.7274 6.75888 6.31428 10.335 5.61579 13.1897 5.38524 11.0945 numMergedOcc 0
20 mol 58 unq 9 iso 0 dist 9.55426 7.32874 5.90225 13.1021 9.73139 10.9482 5.61579 13.1897 8.69057 16.9237 numMergedOcc 0
21 mol 58 unq 10 iso 0 dist 9.55426 7.32874 5.90225 6.75888 6.31428 6.40841 5.61579 13.1897 8.69057 11.0945 numMergedOcc 0
22 mol 58 unq 11 iso 0 dist 9.55426 9.4099 10.6169 10.3782 8.26899 13.7148 8.55984 15.6595 9.08221 18.1063 numMergedOcc 0
23 mol 72 unq 0 iso 0 dist 9.96708 9.78528 8.24309 7.11552 6.77912 11.9814 7.47371 7.12321 6.21799 9.88768 numMergedOcc 0
24 mol 72 unq 1 iso 0 dist 9.96708 9.78528 8.24309 7.11552 6.77912 11.9814 9.67587 9.35457 5.03251 12.9007 numMergedOcc 0
25 mol 72 unq 2 iso 0 dist 9.96708 9.78528 8.24309 7.11552 6.77912 11.9814 7.07356 12.1131 7.66093 12.9235 numMergedOcc 0
26 mol 72 unq 3 iso 0 dist 9.78528 9.96708 8.24309 11.6894 9.02278 12.0903 7.47371 6.21799 7.12321 5.5067 numMergedOcc 0
27 mol 73 unq 0 iso 0 dist 9.96396 6.19304 5.4148 7.41074 8.70133 4.65521 6.20232 12.2276 8.68662 6.10063 numMergedOcc 0
28 mol 73 unq 1 iso 0 dist 9.96396 6.19304 5.4148 7.41074 8.70133 4.65521 5.70116 9.73086 7.4369 6.15714 numMergedOcc 0
29 mol 73 unq 2 iso 0 dist 9.96396 8.70481 14.9342 7.41074 8.70133 15.9587 11.2069 13.3207 5.5087 17.2861 numMergedOcc 0
30 mol 73 unq 3 iso 0 dist 9.96396 8.70481 14.9342 7.41074 8.70133 15.9587 10.6713 14.498 6.08682 16.8311 numMergedOcc 0
31 mol 73 unq 4 iso 0 dist 6.19304 9.96396 5.4148 7.41074 4.65521 8.70133 5.70116 7.4369 9.73086 6.15714 numMergedOcc 0
32 mol 73 unq 5 iso 0 dist 6.19304 8.70481 13.3558 7.41074 4.65521 15.9587 11.2069 13.8368 5.5087 17.2861 numMergedOcc 0
33 mol 73 unq 6 iso 0 dist 6.19304 8.70481 13.3558 7.41074 4.65521 15.9587 10.6713 14.5999 6.08682 16.8311 numMergedOcc 0
34 mol 92 unq 0 iso 0 dist 6.82344 7.4729 8.95922 6.99832 9.70512 5.81965 4.46885 11.1432 8.3773 7.94489 numMergedOcc 0
35 mol 100 unq 0 iso 0 dist 7.47343 6.65086 8.8807 10.1589 8.72704 10.5193 6.23008 9.76432 8.91882 6.13211 numMergedOcc 0
36 mol 115 unq 0 iso 0 dist 9.33865 5.83991 7.69052 6.09023 9.66954 8.66155 4.48636 13.4105 7.69765 9.13361 numMergedOcc 0
37 mol 115 unq 1 iso 0 dist 9.33865 5.83991 7.69052 6.09023 9.66954 8.66155 6.63111 6.39384 9.42082 6.49835 numMergedOcc 0
38 mol 115 unq 2 iso 0 dist 9.33865 5.83991 7.69052 10.2377 7.64585 12.2309 4.48636 13.4105 7.69765 14.211 numMergedOcc 0
39 mol 115 unq 3 iso 0 dist 9.33865 5.83991 7.69052 10.2377 7.64585 12.2309 6.63111 6.39384 9.42082 5.65471 numMergedOcc 0
40 mol 115 unq 4 iso 0 dist 5.83991 7.30858 10.8507 10.9739 7.76729 17.6696 5.03039 10.5599 6.04595 15.1254 numMergedOcc 0
41 mol 115 unq 5 iso 0 dist 5.83991 9.33865 7.69052 6.09023 8.66155 9.66954 6.63111 9.42082 6.39384 6.49835 numMergedOcc 0
42 mol 115 unq 6 iso 0 dist 6.11741 9.33865 8.02349 10.8292 6.99777 13.9977 6.95773 10.0255 6.24825 15.7303 numMergedOcc 0
43 mol 115 unq 7 iso 0 dist 6.11741 9.33865 8.02349 6.12943 9.14376 9.65429 6.95773 10.0255 6.24825 6.70178 numMergedOcc 0
44 mol 115 unq 8 iso 0 dist 6.11741 7.88312 7.69052 4.61908 9.66954 8.66155 11.835 13.4105 7.69765 9.13361 numMergedOcc 0
45 mol 115 unq 9 iso 0 dist 6.11741 7.88312 7.69052 4.61908 9.66954 8.66155 6.07067 6.39384 9.42082 6.49835 numMergedOcc 0
46 mol 115 unq 10 iso 0 dist 6.11741 7.88312 7.69052 10.8939 7.64585 12.2309 11.835 13.4105 7.69765 14.211 numMergedOcc 0
47 mol 115 unq 11 iso 0 dist 6.11741 7.88312 7.69052 10.8939 7.64585 12.2309 6.07067 6.39384 9.42082 5.65471 numMergedOcc 0
48 mol 115 unq 12 iso 0 dist 7.88312 7.30858 11.5723 11.7126 6.99777 11.695 5.03039 11.8378 6.04595 13.2709 numMergedOcc 0
49 mol 115 unq 13 iso 0 dist 7.88312 7.30858 11.5723 4.62962 9.14376 10.0603 5.03039 11.8378 6.04595 5.53947 numMergedOcc 0
50 mol 115 unq 14 iso 0 dist 7.88312 5.83991 8.02349 11.7126 6.99777 13.9977 6.01673 10.0255 6.24825 15.7303 numMergedOcc 0
51 mol 115 unq 15 iso 0 dist 7.88312 5.83991 8.02349 4.62962 9.14376 9.65429 6.01673 10.0255 6.24825 6.70178 numMergedOcc 0
52 mol 115 unq 16 iso 0 dist 7.88312 6.11741 7.69052 4.61908 8.66155 9.66954 6.07067 9.42082 6.39384 6.49835 numMergedOcc 0
53 mol 117 unq 0 iso 0 dist 7.90328 7.83136 7.22206 4.91401 6.62561 7.63616 3.55765 10.4223 8.19331 5.56883 numMergedOcc 0
54 mol 117 unq 1 iso 0 dist 7.90328 7.0603 9.3584 4.91401 6.62561 10.6107 3.55765 10.4223 8.85711 5.56883 numMergedOcc 0
55 mol 117 unq 2 iso 0 dist 7.83136 7.90328 7.22206 4.91401 7.63616 6.62561 10.5783 11.6387 6.10127 6.95589 numMergedOcc 0
56 mol 117 unq 3 iso 0 dist 7.83136 7.0603 7.21564 4.91401 7.63616 10.6107 3.55765 8.19331 8.85711 5.56883 numMergedOcc 0
57 mol 131 unq 0 iso 0 dist 7.12972 8.40312 5.55373 6.19596 8.6243 12.5969 3.98662 10.0551 9.27976 9.23774 numMergedOcc 0
58 mol 131 unq 1 iso 0 dist 6.85062 8.40312 10.7062 6.19596 6.91348 12.5969 3.98662 10.7579 9.27976 9.23774 numMergedOcc 0
59 mol 131 unq 2 iso 0 dist 6.85062 8.40312 10.7062 6.6499 9.51418 13.6559 3.98662 10.7579 9.27976 7.17459 numMergedOcc 0
60 mol 134 unq 0 iso 0 dist 8.94367 6.37586 5.49782 5.41704 8.79571 5.42582 6.95573 13.9752 9.33924 6.0991 numMergedOcc 0
61 mol 134 unq 1 iso 0 dist 8.94367 6.37586 5.49782 5.41704 8.79571 5.42582 8.06642 7.21868 7.93372 5.67107 numMergedOcc 0
62 mol 134 unq 2 iso 0 dist 6.37586 8.94367 5.49782 5.41704 5.42582 8.79571 8.06642 7.93372 7.21868 5.67107 numMergedOcc 0
63 mol 134 unq 3 iso 0 dist 6.49416 8.94367 8.80819 5.41704 8.6355 8.79571 8.06642 11.988 7.21868 5.67107 numMergedOcc 0
64 mol 134 unq 4 iso 0 dist 6.49416 6.37586 5.00817 5.41704 8.6355 5.42582 6.95573 9.55584 9.33924 6.0991 numMergedOcc 0
65 mol 134 unq 5 iso 0 dist 6.49416 6.37586 5.00817 5.41704 8.6355 5.42582 8.06642 11.988 7.93372 5.67107 numMergedOcc 0
66 mol 134 unq 6 iso 0 dist 9.86662 9.71307 5.49782 6.17103 8.79571 5.42582 10.2026 13.9752 9.33924 6.0991 numMergedOcc 0
67 mol 134 unq 7 iso 0 dist 9.86662 9.71307 5.49782 6.17103 8.79571 5.42582 4.00092 7.21868 7.93372 5.67107 numMergedOcc 0
68 mol 134 unq 8 iso 0 dist 9.71307 9.86662 5.49782 6.17103 5.42582 8.79571 4.00092 7.93372 7.21868 5.67107 numMergedOcc 0
69 mol 142 unq 0 iso 0 dist 9.2313 5.31024 5.32922 9.49653 7.15475 9.07935 4.67662 7.81207 6.14151 5.26247 numMergedOcc 0
70 mol 142 unq 1 iso 0 dist 5.31024 9.2313 5.32922 9.49653 9.07935 7.15475 4.67662 6.14151 7.81207 5.26247 numMergedOcc 0
71 mol 142 unq 2 iso 0 dist 5.31024 9.2313 5.32922 9.49653 9.07935 7.15475 13.5913 10.7696 7.18002 12.2806 numMergedOcc 0
72 mol 142 unq 3 iso 0 dist 7.73169 7.26382 5.32922 7.53854 7.15475 9.07935 5.81599 7.81207 6.14151 5.26247 numMergedOcc 0
73 mol 142 unq 4 iso 0 dist 7.26382 7.73169 5.32922 7.53854 9.07935 7.15475 5.81599 6.14151 7.81207 5.26247 numMergedOcc 0
74 mol 142 unq 5 iso 0 dist 7.26382 7.73169 5.32922 7.53854 9.07935 7.15475 9.99555 10.7696 7.18002 12.2806 numMergedOcc 0
75 mol 155 unq 0 iso 0 dist 6.23493 7.46303 5.71071 6.3845 7.16254 9.14392 9.16779 12.9034 8.97626 12.0485 numMergedOcc 0
76 mol 155 unq 1 iso 0 dist 6.23493 7.46303 5.71071 5.86939 9.86313 7.51198 9.16779 12.9034 8.97626 4.48516 numMergedOcc 0
77 mol 181 unq 0 iso 0 dist 5.98885 9.1374 8.88798 5.4601 7.20046 10.2276 12.9532 13.2783 9.76212 9.37649 numMergedOcc 0
78 mol 181 unq 1 iso 0 dist 5.98885 9.1374 8.88798 10.0524 7.13543 10.7636 12.9532 13.2783 9.76212 9.04392 numMergedOcc 0
79 mol 181 unq 2 iso 0 dist 9.15386 9.1374 12.1628 8.25067 9.6668 13.2702 12.9532 18.2853 9.76212 20.3687 numMergedOcc 0
80 mol 192 unq 0 iso 0 dist 5.59424 7.00794 5.76246 5.71262 8.36822 12.1647 6.35474 5.64942 6.97962 10.1087 numMergedOcc 0
81 mol 192 unq 1 iso 0 dist 5.59424 7.00794 5.76246 5.71262 8.36822 12.1647 5.25965 7.43054 6.79229 10.0566 numMergedOcc 0
82 mol 224 unq 0 iso 0 dist 8.95269 6.57273 4.70378 9.36098 7.06793 10.0414 7.05804 13.2325 8.79428 16.0684 numMergedOcc 0
83 mol 224 unq 1 iso 0 dist 8.95269 6.57273 4.70378 5.29877 6.67585 6.65984 7.05804 13.2325 8.79428 10.9705 numMergedOcc 0
84 mol 224 unq 2 iso 0 dist 8.95269 5.78342 11.5372 9.36098 7.06793 12.7072 7.05804 13.2325 6.8692 16.0684 numMergedOcc 0
85 mol 224 unq 3 iso 0 dist 8.95269 5.78342 11.5372 5.29877 6.67585 10.667 7.05804 13.2325 6.8692 10.9705 numMergedOcc 0
86 mol 224 unq 4 iso 0 dist 6.57273 5.78342 8.49799 5.29877 6.65984 10.667 7.05804 8.79428 6.8692 10.9705 numMergedOcc 0
87 mol 224 unq 5 iso 0 dist 6.60589 6.65832 6.77699 6.12232 6.65984 11.0097 5.76843 8.79428 6.99769 10.9705 numMergedOcc 0
88 mol 224 unq 6 iso 0 dist 6.60589 9.16166 8.49799 6.12232 6.65984 10.667 5.76843 8.79428 6.8692 10.9705 numMergedOcc 0
89 mol 227 unq 0 iso 0 dist 7.22101 8.65997 5.22356 6.43754 8.17891 6.95902 5.0317 5.23634 6.91318 4.09934 numMergedOcc 0
90 mol 227 unq 1 iso 0 dist 8.65997 7.22101 5.22356 14.6185 9.62609 13.4493 5.0317 6.91318 5.23634 11.5454 numMergedOcc 0
91 mol 227 unq 2 iso 0 dist 8.65997 7.22101 5.22356 6.43754 6.95902 8.17891 5.0317 6.91318 5.23634 4.09934 numMergedOcc 0
92 mol 227 unq 3 iso 0 dist 7.55216 7.22101 12.4689 11.662 8.83563 15.9414 5.0317 12.3663 5.23634 15.9047 numMergedOcc 0
93 mol 227 unq 4 iso 0 dist 7.55216 8.65997 12.9332 11.662 8.83563 18.8667 5.0317 12.3663 6.91318 15.9047 numMergedOcc 0
94 mol 234 unq 0 iso 0 dist 6.56247 9.45496 5.88703 11.216 6.25105 7.85175 12.4252 11.6391 7.81215 10.5304 numMergedOcc 0
95 mol 234 unq 1 iso 0 dist 9.36357 6.7625 5.88703 11.4315 6.25105 7.85175 5.75498 11.6391 7.81215 10.5304 numMergedOcc 0
96 mol 236 unq 0 iso 0 dist 8.03456 9.81562 7.28249 11.8759 7.17676 5.34718 4.27181 10.1317 9.3206 13.0765 numMergedOcc 0
97 mol 236 unq 1 iso 0 dist 8.03456 9.81562 7.28249 9.07822 6.68463 10.5713 4.27181 10.1317 9.3206 12.5813 numMergedOcc 0
98 mol 236 unq 2 iso 0 dist 6.84306 7.68742 7.28249 11.3552 7.17676 5.34718 4.89609 10.1317 9.3206 13.0765 numMergedOcc 0
99 mol 236 unq 3 iso 0 dist 6.84306 7.68742 7.28249 11.6837 6.68463 10.5713 4.89609 10.1317 9.3206 12.5813 numMergedOcc 0
100 mol 236 unq 4 iso 0 dist 9.99038 6.27581 7.28249 6.04825 7.17676 5.34718 10.5774 10.1317 9.3206 13.0765 numMergedOcc 0
101 mol 236 unq 5 iso 0 dist 9.99038 6.27581 7.28249 8.8265 6.68463 10.5713 10.5774 10.1317 9.3206 12.5813 numMergedOcc 0
102 mol 236 unq 6 iso 0 dist 8.35971 8.04248 7.43758 6.40312 7.17676 10.6445 4.66414 11.5798 8.23087 10.9455 numMergedOcc 0
103 mol 236 unq 7 iso 0 dist 8.35971 8.04248 7.43758 6.2568 6.68463 10.5433 4.66414 11.5798 8.23087 9.3486 numMergedOcc 0
104 mol 238 unq 0 iso 0 dist 6.22714 7.31233 5.34096 5.17471 7.49471 7.19008 10.3162 8.69015 9.12776 6.12722 numMergedOcc 0
105 mol 252 unq 0 iso 0 dist 8.33025 7.19638 14.9102 9.37715 7.66365 14.7097 7.40852 13.1298 7.15764 9.43777 numMergedOcc 0
106 mol 259 unq 0 iso 0 dist 7.88519 8.13497 4.69778 11.6195 7.48005 10.9591 8.8603 7.66153 9.07743 14.0829 numMergedOcc 0
