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 7.31201 10.789 6.1206 7.12508 4.40641 13.2247 10.5461 10.672 9.87885 numMergedOcc 0
2 mol 7 unq 2 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
3 mol 16 unq 0 iso 0 dist 5.05803 7.03948 6.2983 6.42835 5.01101 9.87867 10.2656 11.6856 16.3417 7.65889 numMergedOcc 0
4 mol 16 unq 1 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
5 mol 16 unq 2 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
6 mol 16 unq 3 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
7 mol 58 unq 0 iso 0 dist 7.32874 6.40841 6.75888 8.69057 5.61579 11.0945 10.8779 11.715 16.0571 8.66539 numMergedOcc 0
8 mol 58 unq 1 iso 0 dist 7.32874 6.40841 6.75888 8.69057 5.61579 11.0945 5.47421 6.81627 10.335 5.38524 numMergedOcc 0
9 mol 58 unq 2 iso 0 dist 6.62496 9.64665 4.67832 9.22598 9.87158 8.59939 4.81926 6.35756 9.66798 8.96727 numMergedOcc 0
10 mol 58 unq 3 iso 0 dist 6.35756 8.89374 6.47744 8.96727 9.87158 14.6599 4.81926 6.62496 11.5023 9.22598 numMergedOcc 0
11 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
12 mol 72 unq 1 iso 0 dist 8.8178 6.77912 12.0644 7.12321 4.27726 9.88768 8.24309 9.84449 11.9814 6.21799 numMergedOcc 0
13 mol 72 unq 2 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
14 mol 72 unq 3 iso 0 dist 9.96708 6.77912 7.11552 7.12321 7.47371 9.88768 8.24309 9.78528 11.9814 6.21799 numMergedOcc 0
15 mol 72 unq 4 iso 0 dist 9.78528 9.02278 11.6894 6.21799 7.47371 5.5067 7.04035 10.8086 14.5113 9.74228 numMergedOcc 0
16 mol 72 unq 5 iso 0 dist 9.78528 9.02278 11.6894 6.21799 7.47371 5.5067 8.24309 9.96708 12.0903 7.12321 numMergedOcc 0
17 mol 72 unq 6 iso 0 dist 9.78528 9.02278 11.6894 5.03251 9.67587 4.01021 5.8486 15.1902 13.0378 9.56773 numMergedOcc 0
18 mol 73 unq 0 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
19 mol 73 unq 1 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
20 mol 73 unq 2 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
21 mol 73 unq 3 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
22 mol 88 unq 0 iso 0 dist 9.36773 8.66514 8.4283 7.80898 12.1193 7.15936 12.1547 16.8013 14.3557 7.51139 numMergedOcc 0
23 mol 88 unq 1 iso 0 dist 9.36773 9.25235 5.37521 7.80898 12.1193 10.8763 12.1547 16.8013 17.4216 7.51139 numMergedOcc 0
24 mol 115 unq 0 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
25 mol 115 unq 1 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
26 mol 115 unq 2 iso 0 dist 9.33865 7.64585 10.2377 6.39384 6.63111 5.65471 7.69052 5.83991 12.2309 9.42082 numMergedOcc 0
27 mol 115 unq 3 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
28 mol 115 unq 4 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
29 mol 115 unq 5 iso 0 dist 6.11741 7.64585 10.8939 6.39384 6.07067 5.65471 7.69052 7.88312 12.2309 9.42082 numMergedOcc 0
30 mol 115 unq 6 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
31 mol 117 unq 0 iso 0 dist 7.83136 7.63616 4.91401 8.19331 3.55765 5.56883 7.21564 7.0603 10.6107 8.85711 numMergedOcc 0
32 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
33 mol 134 unq 0 iso 0 dist 8.94367 8.79571 5.41704 7.21868 8.06642 5.67107 5.62899 11.7385 13.0121 9.66543 numMergedOcc 0
34 mol 134 unq 1 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
35 mol 134 unq 2 iso 0 dist 6.37586 5.42582 5.41704 7.93372 8.06642 5.67107 10.7144 11.7385 13.0121 9.66543 numMergedOcc 0
36 mol 134 unq 3 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
37 mol 134 unq 4 iso 0 dist 9.86662 8.79571 6.17103 7.21868 4.00092 5.67107 5.62899 11.3835 13.0121 9.66543 numMergedOcc 0
38 mol 134 unq 5 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
39 mol 134 unq 6 iso 0 dist 9.71307 5.42582 6.17103 7.93372 4.00092 5.67107 10.7144 11.3835 13.0121 9.66543 numMergedOcc 0
40 mol 134 unq 7 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
41 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
42 mol 142 unq 1 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
43 mol 142 unq 2 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
44 mol 142 unq 3 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
45 mol 142 unq 4 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
46 mol 167 unq 0 iso 0 dist 9.87651 8.62646 6.58937 9.2289 12.0033 7.0046 4.70068 12.4733 10.5089 7.68266 numMergedOcc 0
47 mol 167 unq 1 iso 0 dist 9.87651 8.62646 6.58937 9.2289 12.0033 7.0046 10.3445 17.5366 13.6191 7.6616 numMergedOcc 0
48 mol 167 unq 2 iso 0 dist 9.87651 8.62646 6.58937 7.02548 11.6011 6.24722 4.70068 12.4733 10.5089 6.84752 numMergedOcc 0
49 mol 167 unq 3 iso 0 dist 9.87651 8.62646 6.58937 7.02548 11.6011 6.24722 10.3445 17.5366 13.6191 7.86563 numMergedOcc 0
50 mol 181 unq 0 iso 0 dist 7.81386 7.98142 9.53462 9.01624 5.71898 12.2513 11.5866 9.81747 16.7285 5.05973 numMergedOcc 0
51 mol 181 unq 1 iso 0 dist 7.81386 7.37327 11.1462 9.01624 5.71898 14.8923 11.5866 9.81747 18.3916 5.05973 numMergedOcc 0
52 mol 181 unq 2 iso 0 dist 7.63312 7.98142 9.60512 9.01624 5.93724 12.2513 11.5866 9.11469 16.7285 5.05973 numMergedOcc 0
53 mol 181 unq 3 iso 0 dist 7.63312 7.37327 13.3389 9.01624 5.93724 14.8923 11.5866 9.11469 18.3916 5.05973 numMergedOcc 0
54 mol 192 unq 0 iso 0 dist 5.59424 8.36822 5.71262 5.64942 6.35474 10.1087 5.76246 7.00794 12.1647 6.97962 numMergedOcc 0
55 mol 192 unq 1 iso 0 dist 5.59424 8.36822 5.71262 7.43054 5.25965 10.0566 5.76246 7.00794 12.1647 6.79229 numMergedOcc 0
56 mol 224 unq 0 iso 0 dist 6.57273 6.65984 5.29877 8.79428 7.05804 10.9705 6.77699 10.103 11.0097 6.99769 numMergedOcc 0
57 mol 224 unq 1 iso 0 dist 6.57273 6.65984 5.29877 8.79428 7.05804 10.9705 8.49799 5.78342 10.667 6.8692 numMergedOcc 0
58 mol 224 unq 2 iso 0 dist 6.60589 6.65984 6.12232 8.79428 5.76843 10.9705 6.77699 6.65832 11.0097 6.99769 numMergedOcc 0
59 mol 224 unq 3 iso 0 dist 6.60589 6.65984 6.12232 8.79428 5.76843 10.9705 8.49799 9.16166 10.667 6.8692 numMergedOcc 0
60 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
61 mol 227 unq 1 iso 0 dist 8.65997 9.62609 14.6185 6.91318 5.0317 11.5454 5.22356 7.22101 13.4493 5.23634 numMergedOcc 0
62 mol 227 unq 2 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
63 mol 227 unq 3 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
64 mol 234 unq 0 iso 0 dist 9.45496 9.5707 15.9563 7.81215 12.4252 11.8229 10.2693 17.458 11.8897 5.64285 numMergedOcc 0
65 mol 234 unq 1 iso 0 dist 9.45496 7.85175 11.216 7.81215 12.4252 10.5304 10.2693 17.458 13.0678 5.64285 numMergedOcc 0
66 mol 234 unq 2 iso 0 dist 6.7625 9.5707 14.4106 7.81215 5.75498 11.8229 10.2693 10.701 11.8897 5.64285 numMergedOcc 0
67 mol 234 unq 3 iso 0 dist 6.7625 7.85175 11.4315 7.81215 5.75498 10.5304 10.2693 10.701 13.0678 5.64285 numMergedOcc 0
68 mol 238 unq 0 iso 0 dist 5.72887 9.29858 13.069 9.72188 7.06793 11.7938 15.7907 14.6111 12.3367 9.12776 numMergedOcc 0
69 mol 238 unq 1 iso 0 dist 7.31233 6.55759 10.4664 9.12776 10.3162 15.4844 15.7907 19.5656 21.3432 9.72188 numMergedOcc 0
70 mol 238 unq 2 iso 0 dist 7.31233 7.02475 11.2717 9.12776 10.3162 13.037 15.7907 19.5656 17.436 9.72188 numMergedOcc 0
71 mol 238 unq 3 iso 0 dist 7.31233 7.67322 12.6986 9.12776 10.3162 9.75095 15.7907 19.5656 12.1104 9.72188 numMergedOcc 0
72 mol 238 unq 4 iso 0 dist 7.31233 7.19008 5.17471 9.12776 10.3162 6.12722 15.7907 19.5656 15.0465 9.72188 numMergedOcc 0
73 mol 259 unq 0 iso 0 dist 7.88519 7.48005 11.6195 7.66153 8.8603 14.0829 4.69778 8.13497 10.9591 9.07743 numMergedOcc 0
74 mol 259 unq 1 iso 0 dist 7.84554 7.48005 11.8736 7.66153 5.8801 14.0829 4.69778 9.95973 10.9591 9.07743 numMergedOcc 0
75 mol 259 unq 2 iso 0 dist 7.46176 7.48005 5.79468 7.66153 11.8896 14.0829 4.69778 10.3935 10.9591 9.07743 numMergedOcc 0
76 mol 259 unq 3 iso 0 dist 5.30224 6.77938 4.99891 6.9899 7.09907 9.2872 9.98105 11.858 14.5785 5.85442 numMergedOcc 0
77 mol 259 unq 4 iso 0 dist 5.30224 7.76676 5.32839 6.9899 7.09907 4.61451 9.98105 11.858 10.4634 5.85442 numMergedOcc 0
78 mol 259 unq 5 iso 0 dist 9.18903 7.48005 12.6649 7.66153 5.81576 14.0829 4.69778 12.6839 10.9591 9.07743 numMergedOcc 0
79 mol 277 unq 0 iso 0 dist 9.7748 9.41725 6.58374 8.9682 17.6038 18.3854 11.8268 21.4606 19.0768 9.57499 numMergedOcc 0
80 mol 277 unq 1 iso 0 dist 9.7748 9.41725 6.58374 8.9682 17.6038 18.3854 7.08227 16.3537 15.6511 5.46926 numMergedOcc 0
81 mol 277 unq 2 iso 0 dist 9.7748 9.41725 6.58374 6.92711 14.772 16.1088 7.08227 16.3537 15.6511 5.13913 numMergedOcc 0
