0 mol 7 unq 0 iso 0 dist 8.41585 6.36911 6.06176 9.87885 12.8323 7.92429 13.2247 12.2333 9.36807 6.1206 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.10621 9.36807 10.515 6.1206 7.12508 7.92429 13.2247 10.5461 6.36911 9.87885 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 7.10621 9.36807 10.515 7.67927 11.143 11.2233 13.2247 10.5461 6.36911 14.1836 numMergedOcc 0
3 mol 16 unq 0 iso 0 dist 5.05803 7.03948 6.2983 6.42835 5.01101 9.87867 6.92781 6.31718 5.47769 11.0298 numMergedOcc 0
4 mol 16 unq 1 iso 0 dist 5.05803 7.03948 6.2983 6.42835 5.01101 9.87867 10.7015 10.9143 6.58035 15.3667 numMergedOcc 0
5 mol 16 unq 2 iso 0 dist 5.05803 7.03948 6.2983 6.57331 4.65873 4.68733 6.92781 6.31718 5.47769 8.43054 numMergedOcc 0
6 mol 16 unq 3 iso 0 dist 5.05803 7.03948 6.2983 6.57331 4.65873 4.68733 10.7015 10.9143 6.58035 11.1513 numMergedOcc 0
7 mol 16 unq 4 iso 0 dist 6.31718 5.47769 6.2983 8.43054 4.65873 4.68733 6.92781 5.05803 7.03948 6.57331 numMergedOcc 0
8 mol 16 unq 5 iso 0 dist 6.31718 5.47769 6.2983 8.43054 4.65873 4.68733 5.32694 10.9143 6.58035 11.1513 numMergedOcc 0
9 mol 16 unq 6 iso 0 dist 7.63133 5.47769 5.94084 8.43054 9.81307 4.68733 6.92781 12.5273 7.03948 6.57331 numMergedOcc 0
10 mol 16 unq 7 iso 0 dist 7.63133 5.47769 5.94084 8.43054 9.81307 4.68733 5.32694 5.46498 6.58035 11.1513 numMergedOcc 0
11 mol 45 unq 0 iso 0 dist 7.2846 6.34173 4.71384 9.33906 6.42339 6.00679 5.24762 6.43774 7.06308 11.5679 numMergedOcc 0
12 mol 45 unq 1 iso 0 dist 7.2846 6.34173 4.71384 9.33906 6.42339 6.00679 5.101 10.8302 9.43442 13.9885 numMergedOcc 0
13 mol 45 unq 2 iso 0 dist 7.58835 6.34173 5.67689 9.33906 5.1274 6.00679 5.24762 11.2563 7.06308 11.5679 numMergedOcc 0
14 mol 45 unq 3 iso 0 dist 7.58835 6.34173 5.67689 9.33906 5.1274 6.00679 5.101 11.5838 9.43442 13.9885 numMergedOcc 0
15 mol 58 unq 0 iso 0 dist 7.32874 6.40841 6.75888 8.69057 5.61579 11.0945 11.0466 13.4544 7.58407 18.0198 numMergedOcc 0
16 mol 58 unq 1 iso 0 dist 7.32874 6.40841 6.75888 8.69057 5.61579 11.0945 5.90225 9.55426 6.31428 13.1897 numMergedOcc 0
17 mol 58 unq 2 iso 0 dist 6.35756 8.89374 6.47744 8.96727 9.87158 14.6599 5.35073 6.86465 8.63333 13.3281 numMergedOcc 0
18 mol 58 unq 3 iso 0 dist 6.35756 8.89374 6.47744 8.96727 9.87158 14.6599 8.62958 10.3224 6.46761 14.4498 numMergedOcc 0
19 mol 58 unq 4 iso 0 dist 6.35756 8.89374 6.47744 8.96727 9.87158 14.6599 14.176 15.4557 9.73139 20.9029 numMergedOcc 0
20 mol 58 unq 5 iso 0 dist 6.35756 8.89374 6.47744 8.01308 5.86526 9.47022 5.35073 6.86465 8.63333 11.5155 numMergedOcc 0
21 mol 58 unq 6 iso 0 dist 6.35756 8.89374 6.47744 8.01308 5.86526 9.47022 8.62958 10.3224 6.46761 10.6166 numMergedOcc 0
22 mol 58 unq 7 iso 0 dist 6.35756 8.89374 6.47744 8.01308 5.86526 9.47022 14.176 15.4557 9.73139 16.7574 numMergedOcc 0
23 mol 64 unq 0 iso 0 dist 9.67592 8.68586 5.3948 9.86334 5.16015 8.84224 10.6748 14.5656 9.54144 16.9931 numMergedOcc 0
24 mol 72 unq 0 iso 0 dist 8.8178 6.77912 12.0644 7.12321 4.27726 9.88768 5.36766 12.8385 8.624 9.74228 numMergedOcc 0
25 mol 72 unq 1 iso 0 dist 9.96708 6.77912 7.11552 7.12321 7.47371 9.88768 5.36766 10.8086 8.624 9.74228 numMergedOcc 0
26 mol 73 unq 0 iso 0 dist 9.38498 8.70133 13.4082 9.73086 17.4121 6.15714 7.4697 8.9232 5.64598 10.9476 numMergedOcc 0
27 mol 73 unq 1 iso 0 dist 9.38498 8.70133 13.4082 9.73086 17.4121 6.15714 5.4148 10.2049 4.65521 7.4369 numMergedOcc 0
28 mol 73 unq 2 iso 0 dist 9.96396 8.70133 7.41074 9.73086 5.70116 6.15714 7.4697 11.4799 5.64598 10.9476 numMergedOcc 0
29 mol 73 unq 3 iso 0 dist 9.96396 8.70133 7.41074 9.73086 5.70116 6.15714 5.4148 6.19304 4.65521 7.4369 numMergedOcc 0
30 mol 73 unq 4 iso 0 dist 6.19304 4.65521 7.41074 8.68662 6.20232 6.10063 5.4148 9.96396 8.70133 12.2276 numMergedOcc 0
31 mol 73 unq 5 iso 0 dist 6.19304 4.65521 7.41074 8.68662 6.20232 6.10063 5.7113 11.4799 5.64598 11.6739 numMergedOcc 0
32 mol 73 unq 6 iso 0 dist 6.19304 4.65521 7.41074 7.4369 5.70116 6.15714 5.4148 9.96396 8.70133 9.73086 numMergedOcc 0
33 mol 73 unq 7 iso 0 dist 6.19304 4.65521 7.41074 7.4369 5.70116 6.15714 5.7113 11.4799 5.64598 10.9476 numMergedOcc 0
34 mol 73 unq 8 iso 0 dist 9.75218 8.70133 15.9882 9.73086 14.844 6.15714 7.4697 16.0453 5.64598 10.9476 numMergedOcc 0
35 mol 73 unq 9 iso 0 dist 9.75218 8.70133 15.9882 9.73086 14.844 6.15714 5.4148 11.6369 4.65521 7.4369 numMergedOcc 0
36 mol 92 unq 0 iso 0 dist 7.4729 5.81965 6.99832 8.3773 4.46885 7.94489 5.02055 11.862 7.06013 12.4353 numMergedOcc 0
37 mol 92 unq 1 iso 0 dist 7.4729 5.81965 6.99832 8.3773 4.46885 7.94489 8.95922 6.82344 9.70512 11.1432 numMergedOcc 0
38 mol 109 unq 0 iso 0 dist 8.69985 5.87358 9.46098 7.07971 4.69373 5.15674 4.98336 13.4572 9.20981 11.8087 numMergedOcc 0
39 mol 115 unq 0 iso 0 dist 7.30858 8.66155 11.3902 7.69765 10.3209 9.13361 7.69052 13.8473 9.66954 13.4105 numMergedOcc 0
40 mol 115 unq 1 iso 0 dist 7.30858 8.66155 11.3902 9.42082 15.3161 6.49835 7.69052 13.8473 9.66954 6.39384 numMergedOcc 0
41 mol 115 unq 2 iso 0 dist 9.33865 9.66954 6.09023 6.39384 6.63111 6.49835 7.69052 5.83991 8.66155 9.42082 numMergedOcc 0
42 mol 115 unq 3 iso 0 dist 5.83991 8.66155 6.09023 7.69765 4.48636 9.13361 7.69052 9.33865 9.66954 13.4105 numMergedOcc 0
43 mol 115 unq 4 iso 0 dist 5.83991 8.66155 6.09023 9.42082 6.63111 6.49835 7.69052 9.33865 9.66954 6.39384 numMergedOcc 0
44 mol 115 unq 5 iso 0 dist 6.11741 9.66954 4.61908 6.39384 6.07067 6.49835 7.69052 7.88312 8.66155 9.42082 numMergedOcc 0
45 mol 115 unq 6 iso 0 dist 7.88312 8.66155 4.61908 7.69765 11.835 9.13361 7.69052 6.11741 9.66954 13.4105 numMergedOcc 0
46 mol 115 unq 7 iso 0 dist 7.88312 8.66155 4.61908 9.42082 6.07067 6.49835 7.69052 6.11741 9.66954 6.39384 numMergedOcc 0
47 mol 117 unq 0 iso 0 dist 9.84395 6.62561 11.3679 6.10127 6.57678 6.95589 7.22206 16.5575 7.63616 11.6387 numMergedOcc 0
48 mol 117 unq 1 iso 0 dist 7.90328 6.62561 4.91401 6.10127 10.5783 6.95589 7.22206 7.83136 7.63616 11.6387 numMergedOcc 0
49 mol 117 unq 2 iso 0 dist 7.83136 7.63616 4.91401 8.19331 3.55765 5.56883 7.22206 7.90328 6.62561 10.4223 numMergedOcc 0
50 mol 132 unq 0 iso 0 dist 7.7059 6.03703 9.92344 6.89918 12.9631 6.545 4.35917 11.5751 7.61505 7.89457 numMergedOcc 0
51 mol 134 unq 0 iso 0 dist 8.94367 8.79571 5.41704 7.21868 8.06642 5.67107 5.49782 6.37586 5.42582 7.93372 numMergedOcc 0
52 mol 134 unq 1 iso 0 dist 8.94367 8.79571 5.41704 7.21868 8.06642 5.67107 8.80819 6.49416 8.6355 11.988 numMergedOcc 0
53 mol 134 unq 2 iso 0 dist 6.37586 5.42582 5.41704 9.33924 6.95573 6.0991 5.49782 8.94367 8.79571 13.9752 numMergedOcc 0
54 mol 134 unq 3 iso 0 dist 6.37586 5.42582 5.41704 9.33924 6.95573 6.0991 5.00817 6.49416 8.6355 9.55584 numMergedOcc 0
55 mol 134 unq 4 iso 0 dist 6.37586 5.42582 5.41704 7.93372 8.06642 5.67107 5.49782 8.94367 8.79571 7.21868 numMergedOcc 0
56 mol 134 unq 5 iso 0 dist 6.37586 5.42582 5.41704 7.93372 8.06642 5.67107 5.00817 6.49416 8.6355 11.988 numMergedOcc 0
57 mol 134 unq 6 iso 0 dist 9.86662 8.79571 6.17103 7.21868 4.00092 5.67107 5.49782 9.71307 5.42582 7.93372 numMergedOcc 0
58 mol 134 unq 7 iso 0 dist 9.86662 8.79571 6.17103 7.21868 4.00092 5.67107 8.80819 12.5075 8.6355 11.988 numMergedOcc 0
59 mol 134 unq 8 iso 0 dist 9.71307 5.42582 6.17103 9.33924 10.2026 6.0991 5.49782 9.86662 8.79571 13.9752 numMergedOcc 0
60 mol 134 unq 9 iso 0 dist 9.71307 5.42582 6.17103 9.33924 10.2026 6.0991 5.00817 12.5075 8.6355 9.55584 numMergedOcc 0
61 mol 134 unq 10 iso 0 dist 9.71307 5.42582 6.17103 7.93372 4.00092 5.67107 5.49782 9.86662 8.79571 7.21868 numMergedOcc 0
62 mol 134 unq 11 iso 0 dist 9.71307 5.42582 6.17103 7.93372 4.00092 5.67107 5.00817 12.5075 8.6355 11.988 numMergedOcc 0
63 mol 142 unq 0 iso 0 dist 9.2313 7.15475 9.49653 7.81207 4.67662 5.26247 5.32922 5.31024 9.07935 6.14151 numMergedOcc 0
64 mol 142 unq 1 iso 0 dist 9.2313 7.15475 9.49653 7.18002 13.5913 12.2806 5.32922 5.31024 9.07935 10.7696 numMergedOcc 0
65 mol 142 unq 2 iso 0 dist 5.31024 9.07935 9.49653 6.14151 4.67662 5.26247 5.32922 9.2313 7.15475 7.81207 numMergedOcc 0
66 mol 142 unq 3 iso 0 dist 7.73169 7.15475 7.53854 7.81207 5.81599 5.26247 5.32922 7.26382 9.07935 6.14151 numMergedOcc 0
67 mol 142 unq 4 iso 0 dist 7.73169 7.15475 7.53854 7.18002 9.99555 12.2806 5.32922 7.26382 9.07935 10.7696 numMergedOcc 0
68 mol 142 unq 5 iso 0 dist 7.26382 9.07935 7.53854 6.14151 5.81599 5.26247 5.32922 7.73169 7.15475 7.81207 numMergedOcc 0
69 mol 142 unq 6 iso 0 dist 8.96657 7.15475 10.3477 7.81207 11.1 5.26247 5.32922 11.0824 9.07935 6.14151 numMergedOcc 0
70 mol 142 unq 7 iso 0 dist 8.96657 7.15475 10.3477 7.18002 6.52253 12.2806 5.32922 11.0824 9.07935 10.7696 numMergedOcc 0
71 mol 155 unq 0 iso 0 dist 7.46303 9.14392 6.3845 8.97626 9.16779 12.0485 5.71071 6.23493 7.16254 12.9034 numMergedOcc 0
72 mol 155 unq 1 iso 0 dist 7.46303 7.51198 5.86939 8.97626 9.16779 4.48516 5.71071 6.23493 9.86313 12.9034 numMergedOcc 0
73 mol 155 unq 2 iso 0 dist 6.43582 9.14392 12.1814 8.97626 4.91785 12.0485 5.71071 10.2463 7.16254 12.9034 numMergedOcc 0
74 mol 155 unq 3 iso 0 dist 6.43582 7.51198 6.34186 8.97626 4.91785 4.48516 5.71071 10.2463 9.86313 12.9034 numMergedOcc 0
75 mol 224 unq 0 iso 0 dist 6.57273 6.65984 5.29877 8.79428 7.05804 10.9705 4.70378 8.95269 6.67585 13.2325 numMergedOcc 0
76 mol 224 unq 1 iso 0 dist 6.60589 6.65984 6.12232 8.79428 5.76843 10.9705 4.70378 9.99123 6.67585 13.2325 numMergedOcc 0
77 mol 227 unq 0 iso 0 dist 7.22101 8.17891 6.43754 5.23634 5.0317 4.09934 5.22356 8.65997 6.95902 6.91318 numMergedOcc 0
78 mol 227 unq 1 iso 0 dist 8.65997 6.95902 6.43754 6.91318 5.0317 4.09934 5.22356 7.22101 8.17891 5.23634 numMergedOcc 0
79 mol 227 unq 2 iso 0 dist 7.09863 8.17891 9.13836 5.23634 5.83175 4.09934 5.22356 10.8157 6.95902 6.91318 numMergedOcc 0
80 mol 234 unq 0 iso 0 dist 9.45496 7.85175 11.216 7.81215 12.4252 10.5304 5.88703 6.56247 6.25105 11.6391 numMergedOcc 0
81 mol 234 unq 1 iso 0 dist 6.7625 7.85175 11.4315 7.81215 5.75498 10.5304 5.88703 9.36357 6.25105 11.6391 numMergedOcc 0
82 mol 236 unq 0 iso 0 dist 9.81562 5.34718 11.8759 9.3206 4.27181 13.0765 7.28249 8.03456 7.17676 10.1317 numMergedOcc 0
83 mol 236 unq 1 iso 0 dist 7.68742 5.34718 11.3552 9.3206 4.89609 13.0765 7.28249 6.84306 7.17676 10.1317 numMergedOcc 0
84 mol 236 unq 2 iso 0 dist 6.27581 5.34718 6.04825 9.3206 10.5774 13.0765 7.28249 9.99038 7.17676 10.1317 numMergedOcc 0
85 mol 238 unq 0 iso 0 dist 5.72887 9.29858 13.069 9.72188 7.06793 11.7938 10.1648 12.8711 9.68513 11.1002 numMergedOcc 0
86 mol 238 unq 1 iso 0 dist 7.31233 6.55759 10.4664 9.12776 10.3162 15.4844 5.42006 10.0756 5.38637 13.9551 numMergedOcc 0
87 mol 238 unq 2 iso 0 dist 7.31233 7.02475 11.2717 9.12776 10.3162 13.037 12.9854 12.4767 8.96531 14.1555 numMergedOcc 0
88 mol 238 unq 3 iso 0 dist 7.31233 7.19008 5.17471 9.12776 10.3162 6.12722 5.34096 6.22714 7.49471 8.69015 numMergedOcc 0
89 mol 259 unq 0 iso 0 dist 7.88519 7.48005 11.6195 9.63573 7.20604 9.98303 12.5353 15.9169 8.37865 17.0253 numMergedOcc 0
90 mol 259 unq 1 iso 0 dist 7.88519 7.48005 11.6195 7.66153 8.8603 14.0829 12.5353 15.9169 8.37865 20.1127 numMergedOcc 0
91 mol 259 unq 2 iso 0 dist 7.84554 7.48005 11.8736 9.63573 5.05362 9.98303 12.5353 18.2309 8.37865 17.0253 numMergedOcc 0
92 mol 259 unq 3 iso 0 dist 7.84554 7.48005 11.8736 7.66153 5.8801 14.0829 12.5353 18.2309 8.37865 20.1127 numMergedOcc 0
93 mol 259 unq 4 iso 0 dist 7.46176 7.48005 5.79468 9.63573 5.21606 9.98303 12.5353 11.858 8.37865 17.0253 numMergedOcc 0
94 mol 259 unq 5 iso 0 dist 7.46176 7.48005 5.79468 7.66153 11.8896 14.0829 12.5353 11.858 8.37865 20.1127 numMergedOcc 0
95 mol 259 unq 6 iso 0 dist 9.18903 7.48005 12.6649 9.63573 7.46841 9.98303 12.5353 20.3294 8.37865 17.0253 numMergedOcc 0
96 mol 259 unq 7 iso 0 dist 9.18903 7.48005 12.6649 7.66153 5.81576 14.0829 12.5353 20.3294 8.37865 20.1127 numMergedOcc 0
97 mol 276 unq 0 iso 0 dist 9.8993 8.76347 7.54851 8.6759 9.39944 13.5196 8.88126 10.1216 9.38971 14.4279 numMergedOcc 0
98 mol 276 unq 1 iso 0 dist 9.8993 8.76347 7.54851 8.6759 9.39944 13.5196 5.50479 13.1345 8.71541 14.151 numMergedOcc 0
99 mol 276 unq 2 iso 0 dist 6.87396 8.76347 6.4102 8.6759 8.26321 13.5196 8.88126 12.3012 9.38971 14.4279 numMergedOcc 0
100 mol 276 unq 3 iso 0 dist 6.87396 8.76347 6.4102 8.6759 8.26321 13.5196 5.50479 10.1395 8.71541 14.151 numMergedOcc 0
