0 mol 7 unq 0 iso 0 dist 8.41585 9.87885 12.8323 13.2247 12.2333 6.1206 10.672 12.2708 4.40641 7.31201 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.41585 9.87885 12.8323 13.2247 12.2333 6.1206 6.36911 6.06176 7.92429 9.36807 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 7.10621 6.1206 7.12508 13.2247 10.5461 9.87885 9.36807 10.515 7.92429 6.36911 numMergedOcc 0
3 mol 16 unq 0 iso 0 dist 4.7319 7.65889 6.86055 10.2656 11.0958 6.42835 16.3417 16.2803 9.87867 7.03948 numMergedOcc 0
4 mol 16 unq 1 iso 0 dist 5.05803 6.57331 4.65873 6.92781 6.31718 8.43054 7.03948 6.2983 4.68733 5.47769 numMergedOcc 0
5 mol 16 unq 2 iso 0 dist 6.31718 8.43054 4.65873 6.92781 5.05803 6.57331 5.47769 6.2983 4.68733 7.03948 numMergedOcc 0
6 mol 16 unq 3 iso 0 dist 7.63133 8.43054 9.81307 6.92781 12.5273 6.57331 5.47769 5.94084 4.68733 7.03948 numMergedOcc 0
7 mol 58 unq 0 iso 0 dist 6.81627 5.38524 5.61579 5.47421 7.32874 8.69057 10.335 6.75888 11.0945 6.40841 numMergedOcc 0
8 mol 58 unq 1 iso 0 dist 6.62496 9.22598 9.87158 4.81926 6.35756 8.96727 11.5023 6.47744 14.6599 8.89374 numMergedOcc 0
9 mol 58 unq 2 iso 0 dist 6.35756 8.96727 9.87158 4.81926 6.62496 9.22598 9.66798 4.67832 8.59939 9.64665 numMergedOcc 0
10 mol 72 unq 0 iso 0 dist 8.8178 7.12321 4.27726 5.36766 12.8385 9.74228 6.77912 12.0644 9.88768 8.624 numMergedOcc 0
11 mol 72 unq 1 iso 0 dist 8.8178 7.12321 4.27726 8.24309 9.84449 6.21799 12.0903 5.14048 5.5067 9.02278 numMergedOcc 0
12 mol 72 unq 2 iso 0 dist 9.96708 7.12321 7.47371 5.36766 10.8086 9.74228 6.77912 7.11552 9.88768 8.624 numMergedOcc 0
13 mol 72 unq 3 iso 0 dist 9.96708 7.12321 7.47371 8.24309 9.78528 6.21799 12.0903 11.6894 5.5067 9.02278 numMergedOcc 0
14 mol 72 unq 4 iso 0 dist 9.78528 6.21799 7.47371 7.04035 10.8086 9.74228 11.9814 7.11552 9.88768 8.624 numMergedOcc 0
15 mol 72 unq 5 iso 0 dist 9.78528 6.21799 7.47371 8.24309 9.96708 7.12321 11.9814 7.11552 9.88768 6.77912 numMergedOcc 0
16 mol 73 unq 0 iso 0 dist 9.38498 9.73086 17.4121 5.4148 10.2049 7.4369 8.70133 13.4082 6.15714 4.65521 numMergedOcc 0
17 mol 73 unq 1 iso 0 dist 9.96396 9.73086 5.70116 5.4148 6.19304 7.4369 8.70133 7.41074 6.15714 4.65521 numMergedOcc 0
18 mol 73 unq 2 iso 0 dist 6.19304 7.4369 5.70116 5.4148 9.96396 9.73086 4.65521 7.41074 6.15714 8.70133 numMergedOcc 0
19 mol 73 unq 3 iso 0 dist 8.70481 5.5087 11.2069 8.07446 16.0098 5.61588 13.6145 19.5995 8.97361 7.13087 numMergedOcc 0
20 mol 73 unq 4 iso 0 dist 8.70481 6.08682 10.6713 8.07446 16.0098 7.83244 13.6145 19.5995 10.2983 7.13087 numMergedOcc 0
21 mol 73 unq 5 iso 0 dist 9.75218 9.73086 14.844 5.4148 11.6369 7.4369 8.70133 15.9882 6.15714 4.65521 numMergedOcc 0
22 mol 88 unq 0 iso 0 dist 9.36773 7.80898 12.1193 12.1547 16.8013 7.51139 11.375 9.98259 8.40245 9.10189 numMergedOcc 0
23 mol 115 unq 0 iso 0 dist 7.30858 9.42082 15.3161 7.69052 13.8473 6.39384 8.66155 11.3902 6.49835 9.66954 numMergedOcc 0
24 mol 115 unq 1 iso 0 dist 7.30858 9.42082 15.3161 7.69052 13.8473 6.39384 12.2309 19.2193 5.65471 7.64585 numMergedOcc 0
25 mol 115 unq 2 iso 0 dist 9.33865 6.39384 6.63111 7.69052 5.83991 9.42082 9.66954 6.09023 6.49835 8.66155 numMergedOcc 0
26 mol 115 unq 3 iso 0 dist 5.83991 9.42082 6.63111 7.69052 9.33865 6.39384 8.66155 6.09023 6.49835 9.66954 numMergedOcc 0
27 mol 115 unq 4 iso 0 dist 5.83991 9.42082 6.63111 7.69052 9.33865 6.39384 12.2309 10.2377 5.65471 7.64585 numMergedOcc 0
28 mol 115 unq 5 iso 0 dist 6.11741 6.39384 6.07067 7.69052 7.88312 9.42082 9.66954 4.61908 6.49835 8.66155 numMergedOcc 0
29 mol 115 unq 6 iso 0 dist 7.88312 9.42082 6.07067 7.69052 6.11741 6.39384 8.66155 4.61908 6.49835 9.66954 numMergedOcc 0
30 mol 115 unq 7 iso 0 dist 7.88312 9.42082 6.07067 7.69052 6.11741 6.39384 12.2309 10.8939 5.65471 7.64585 numMergedOcc 0
31 mol 117 unq 0 iso 0 dist 7.0603 8.85711 3.55765 7.21564 7.83136 8.19331 10.6107 4.91401 5.56883 7.63616 numMergedOcc 0
32 mol 132 unq 0 iso 0 dist 7.7059 6.89918 12.9631 4.35917 11.5751 7.89457 6.03703 9.92344 6.545 7.61505 numMergedOcc 0
33 mol 134 unq 0 iso 0 dist 8.94367 7.21868 8.06642 5.49782 6.37586 7.93372 8.79571 5.41704 5.67107 5.42582 numMergedOcc 0
34 mol 134 unq 1 iso 0 dist 6.37586 7.93372 8.06642 5.49782 8.94367 7.21868 5.42582 5.41704 5.67107 8.79571 numMergedOcc 0
35 mol 134 unq 2 iso 0 dist 9.86662 7.21868 4.00092 5.49782 9.71307 7.93372 8.79571 6.17103 5.67107 5.42582 numMergedOcc 0
36 mol 134 unq 3 iso 0 dist 9.71307 7.93372 4.00092 5.49782 9.86662 7.21868 5.42582 6.17103 5.67107 8.79571 numMergedOcc 0
37 mol 142 unq 0 iso 0 dist 9.2313 7.81207 4.67662 5.32922 5.31024 6.14151 7.15475 9.49653 5.26247 9.07935 numMergedOcc 0
38 mol 142 unq 1 iso 0 dist 5.31024 6.14151 4.67662 5.32922 9.2313 7.81207 9.07935 9.49653 5.26247 7.15475 numMergedOcc 0
39 mol 142 unq 2 iso 0 dist 7.73169 7.81207 5.81599 5.32922 7.26382 6.14151 7.15475 7.53854 5.26247 9.07935 numMergedOcc 0
40 mol 142 unq 3 iso 0 dist 7.26382 6.14151 5.81599 5.32922 7.73169 7.81207 9.07935 7.53854 5.26247 7.15475 numMergedOcc 0
41 mol 142 unq 4 iso 0 dist 8.96657 7.81207 11.1 5.32922 11.0824 6.14151 7.15475 10.3477 5.26247 9.07935 numMergedOcc 0
42 mol 192 unq 0 iso 0 dist 7.00794 6.97962 6.35474 5.76246 5.59424 5.64942 12.1647 5.71262 10.1087 8.36822 numMergedOcc 0
43 mol 192 unq 1 iso 0 dist 7.00794 6.79229 5.25965 5.76246 5.59424 7.43054 12.1647 5.71262 10.0566 8.36822 numMergedOcc 0
44 mol 224 unq 0 iso 0 dist 6.65832 6.99769 5.76843 6.77699 6.60589 8.79428 11.0097 6.12232 10.9705 6.65984 numMergedOcc 0
45 mol 224 unq 1 iso 0 dist 5.78342 6.8692 7.05804 8.49799 6.57273 8.79428 10.667 5.29877 10.9705 6.65984 numMergedOcc 0
46 mol 224 unq 2 iso 0 dist 9.16166 6.8692 5.76843 8.49799 6.60589 8.79428 10.667 6.12232 10.9705 6.65984 numMergedOcc 0
47 mol 224 unq 3 iso 0 dist 5.81334 6.8692 4.54188 8.49799 10.5128 8.79428 10.667 10.449 10.9705 6.65984 numMergedOcc 0
48 mol 227 unq 0 iso 0 dist 7.22101 5.23634 5.0317 5.22356 8.65997 6.91318 13.4493 14.6185 11.5454 9.62609 numMergedOcc 0
49 mol 227 unq 1 iso 0 dist 7.22101 5.23634 5.0317 5.22356 8.65997 6.91318 8.17891 6.43754 4.09934 6.95902 numMergedOcc 0
50 mol 227 unq 2 iso 0 dist 8.65997 6.91318 5.0317 5.22356 7.22101 5.23634 6.95902 6.43754 4.09934 8.17891 numMergedOcc 0
51 mol 227 unq 3 iso 0 dist 7.09863 5.23634 5.83175 5.22356 10.8157 6.91318 13.4493 17.2469 11.5454 9.62609 numMergedOcc 0
52 mol 227 unq 4 iso 0 dist 7.09863 5.23634 5.83175 5.22356 10.8157 6.91318 8.17891 9.13836 4.09934 6.95902 numMergedOcc 0
53 mol 234 unq 0 iso 0 dist 9.45496 7.81215 12.4252 10.2693 17.458 5.64285 10.475 13.3898 6.45373 9.39181 numMergedOcc 0
54 mol 234 unq 1 iso 0 dist 6.7625 7.81215 5.75498 10.2693 10.701 5.64285 10.475 10.0607 6.45373 9.39181 numMergedOcc 0
55 mol 238 unq 0 iso 0 dist 5.72887 9.72188 7.06793 15.7907 14.6111 9.12776 21.3432 20.9629 15.4844 6.55759 numMergedOcc 0
56 mol 238 unq 1 iso 0 dist 5.72887 9.72188 7.06793 15.7907 14.6111 9.12776 17.436 18.3578 13.037 7.02475 numMergedOcc 0
57 mol 238 unq 2 iso 0 dist 5.72887 9.72188 7.06793 15.7907 14.6111 9.12776 12.1104 13.7993 9.75095 7.67322 numMergedOcc 0
58 mol 238 unq 3 iso 0 dist 5.72887 9.72188 7.06793 15.7907 14.6111 9.12776 15.0465 13.193 6.12722 7.19008 numMergedOcc 0
59 mol 238 unq 4 iso 0 dist 7.31233 9.12776 10.3162 15.7907 19.5656 9.72188 12.3367 17.6075 11.7938 9.29858 numMergedOcc 0
60 mol 259 unq 0 iso 0 dist 8.53687 9.07743 6.73882 4.69778 10.5767 7.66153 10.9591 17.9331 14.0829 7.48005 numMergedOcc 0
61 mol 259 unq 1 iso 0 dist 8.13497 9.07743 8.8603 4.69778 7.88519 7.66153 10.9591 11.6195 14.0829 7.48005 numMergedOcc 0
62 mol 259 unq 2 iso 0 dist 7.46176 5.85442 10.067 9.98105 12.0576 6.9899 14.5785 16.982 9.2872 6.77938 numMergedOcc 0
63 mol 259 unq 3 iso 0 dist 7.46176 5.85442 10.067 9.98105 12.0576 6.9899 10.4634 13.546 4.61451 7.76676 numMergedOcc 0
