0 mol 15 unq 0 iso 0 dist 8.38064 8.21493 5.90976 9.03536 9.97507 7.12903 5.01321 10.2713 8.96967 5.55659 numMergedOcc 0
1 mol 15 unq 1 iso 0 dist 9.97507 7.12903 5.90976 9.03536 8.38064 8.21493 5.55659 10.2713 8.96967 5.01321 numMergedOcc 0
2 mol 15 unq 2 iso 0 dist 6.82505 7.12903 5.51916 9.03536 10.4158 8.21493 5.55659 9.78051 8.96967 5.01321 numMergedOcc 0
3 mol 45 unq 0 iso 0 dist 6.43774 7.06308 4.71384 5.24762 7.2846 6.34173 9.01651 12.1257 8.59109 6.89191 numMergedOcc 0
4 mol 45 unq 1 iso 0 dist 6.43774 7.06308 4.71384 5.48601 10.8302 9.43442 9.01651 12.1257 8.59109 5.54436 numMergedOcc 0
5 mol 45 unq 2 iso 0 dist 7.2846 6.34173 4.71384 5.24762 6.43774 7.06308 6.89191 12.1257 8.59109 9.01651 numMergedOcc 0
6 mol 45 unq 3 iso 0 dist 7.2846 6.34173 4.71384 5.101 10.8302 9.43442 6.89191 12.1257 8.59109 5.54436 numMergedOcc 0
7 mol 45 unq 4 iso 0 dist 7.58835 6.34173 5.67689 5.24762 11.2563 7.06308 6.89191 9.20119 8.59109 9.01651 numMergedOcc 0
8 mol 45 unq 5 iso 0 dist 7.58835 6.34173 5.67689 5.101 11.5838 9.43442 6.89191 9.20119 8.59109 5.54436 numMergedOcc 0
9 mol 58 unq 0 iso 0 dist 6.81627 8.26899 5.98837 7.08557 12.0187 9.33535 6.75888 10.335 8.80108 6.78077 numMergedOcc 0
10 mol 58 unq 1 iso 0 dist 7.32874 8.26899 4.55117 7.08557 10.1508 9.33535 6.75888 6.40841 8.80108 6.78077 numMergedOcc 0
11 mol 58 unq 2 iso 0 dist 7.32874 6.40841 6.75888 11.0466 13.4544 7.58407 4.55117 8.26899 8.80108 14.7581 numMergedOcc 0
12 mol 58 unq 3 iso 0 dist 7.32874 6.40841 6.75888 11.0466 13.4544 7.58407 5.64209 11.3177 6.50297 8.74789 numMergedOcc 0
13 mol 58 unq 4 iso 0 dist 7.32874 6.40841 6.75888 5.90225 9.55426 6.31428 4.55117 8.26899 8.80108 10.3782 numMergedOcc 0
14 mol 58 unq 5 iso 0 dist 7.32874 6.40841 6.75888 5.90225 9.55426 6.31428 5.64209 11.3177 6.50297 7.02095 numMergedOcc 0
15 mol 58 unq 6 iso 0 dist 6.86465 8.63333 6.47744 5.35073 6.35756 8.89374 10.6476 12.4575 6.96494 12.7331 numMergedOcc 0
16 mol 58 unq 7 iso 0 dist 6.86465 8.63333 6.47744 5.35073 6.35756 8.89374 5.92889 9.58673 7.01363 7.05413 numMergedOcc 0
17 mol 58 unq 8 iso 0 dist 6.86465 8.63333 6.47744 10.8153 10.3224 6.46761 10.6476 12.4575 6.96494 8.74789 numMergedOcc 0
18 mol 58 unq 9 iso 0 dist 6.86465 8.63333 6.47744 10.8153 10.3224 6.46761 5.92889 9.58673 7.01363 6.61756 numMergedOcc 0
19 mol 58 unq 10 iso 0 dist 6.86465 8.63333 6.47744 14.5953 15.4557 9.73139 10.6476 12.4575 6.96494 7.02095 numMergedOcc 0
20 mol 58 unq 11 iso 0 dist 6.86465 8.63333 6.47744 14.5953 15.4557 9.73139 5.92889 9.58673 7.01363 8.94672 numMergedOcc 0
21 mol 58 unq 12 iso 0 dist 6.35756 8.89374 6.47744 5.35073 6.86465 8.63333 12.7331 12.4575 6.96494 10.6476 numMergedOcc 0
22 mol 58 unq 13 iso 0 dist 6.35756 8.89374 6.47744 5.35073 6.86465 8.63333 7.05413 9.58673 7.01363 5.92889 numMergedOcc 0
23 mol 58 unq 14 iso 0 dist 6.35756 8.89374 6.47744 8.62958 10.3224 6.46761 12.7331 12.4575 6.96494 8.74789 numMergedOcc 0
24 mol 58 unq 15 iso 0 dist 6.35756 8.89374 6.47744 8.62958 10.3224 6.46761 7.05413 9.58673 7.01363 6.61756 numMergedOcc 0
25 mol 58 unq 16 iso 0 dist 6.35756 8.89374 6.47744 14.176 15.4557 9.73139 12.7331 12.4575 6.96494 7.02095 numMergedOcc 0
26 mol 58 unq 17 iso 0 dist 6.35756 8.89374 6.47744 14.176 15.4557 9.73139 7.05413 9.58673 7.01363 8.94672 numMergedOcc 0
27 mol 58 unq 18 iso 0 dist 6.64012 6.46761 5.24906 10.8153 13.497 8.63333 8.74789 9.89984 6.96494 10.6476 numMergedOcc 0
28 mol 58 unq 19 iso 0 dist 6.64012 6.46761 5.24906 10.8153 13.497 8.63333 6.61756 10.9283 7.01363 5.92889 numMergedOcc 0
29 mol 58 unq 20 iso 0 dist 6.64012 6.46761 5.24906 8.62958 12.1902 8.89374 8.74789 9.89984 6.96494 12.7331 numMergedOcc 0
30 mol 58 unq 21 iso 0 dist 6.64012 6.46761 5.24906 8.62958 12.1902 8.89374 6.61756 10.9283 7.01363 7.05413 numMergedOcc 0
31 mol 58 unq 22 iso 0 dist 6.64012 6.46761 5.24906 6.47414 9.4099 9.73139 8.74789 9.89984 6.96494 7.02095 numMergedOcc 0
32 mol 58 unq 23 iso 0 dist 6.64012 6.46761 5.24906 6.47414 9.4099 9.73139 6.61756 10.9283 7.01363 8.94672 numMergedOcc 0
33 mol 58 unq 24 iso 0 dist 6.64012 7.58407 5.11205 11.0466 11.396 6.40841 14.7581 13.7148 8.80108 4.55117 numMergedOcc 0
34 mol 58 unq 25 iso 0 dist 6.64012 7.58407 5.11205 11.0466 11.396 6.40841 8.74789 9.89984 6.50297 5.64209 numMergedOcc 0
35 mol 58 unq 26 iso 0 dist 6.64012 7.58407 5.11205 6.47414 9.4099 6.31428 14.7581 13.7148 8.80108 10.3782 numMergedOcc 0
36 mol 58 unq 27 iso 0 dist 6.64012 7.58407 5.11205 6.47414 9.4099 6.31428 8.74789 9.89984 6.50297 7.02095 numMergedOcc 0
37 mol 58 unq 28 iso 0 dist 9.4099 9.73139 5.24906 14.5953 13.497 8.63333 7.02095 9.89984 6.96494 10.6476 numMergedOcc 0
38 mol 58 unq 29 iso 0 dist 9.4099 9.73139 5.24906 14.5953 13.497 8.63333 8.94672 10.9283 7.01363 5.92889 numMergedOcc 0
39 mol 58 unq 30 iso 0 dist 9.4099 9.73139 5.24906 14.176 12.1902 8.89374 7.02095 9.89984 6.96494 12.7331 numMergedOcc 0
40 mol 58 unq 31 iso 0 dist 9.4099 9.73139 5.24906 14.176 12.1902 8.89374 8.94672 10.9283 7.01363 7.05413 numMergedOcc 0
41 mol 58 unq 32 iso 0 dist 9.4099 9.73139 5.24906 6.47414 6.64012 6.46761 7.02095 9.89984 6.96494 8.74789 numMergedOcc 0
42 mol 58 unq 33 iso 0 dist 9.4099 9.73139 5.24906 6.47414 6.64012 6.46761 8.94672 10.9283 7.01363 6.61756 numMergedOcc 0
43 mol 58 unq 34 iso 0 dist 9.4099 6.31428 5.11205 5.90225 11.396 6.40841 10.3782 13.7148 8.80108 4.55117 numMergedOcc 0
44 mol 58 unq 35 iso 0 dist 9.4099 6.31428 5.11205 5.90225 11.396 6.40841 7.02095 9.89984 6.50297 5.64209 numMergedOcc 0
45 mol 58 unq 36 iso 0 dist 9.4099 6.31428 5.11205 6.47414 6.64012 7.58407 10.3782 13.7148 8.80108 14.7581 numMergedOcc 0
46 mol 58 unq 37 iso 0 dist 9.4099 6.31428 5.11205 6.47414 6.64012 7.58407 7.02095 9.89984 6.50297 8.74789 numMergedOcc 0
47 mol 58 unq 38 iso 0 dist 9.55426 8.26899 10.3782 7.08557 12.7357 9.33535 6.75888 6.31428 8.80108 6.78077 numMergedOcc 0
48 mol 58 unq 39 iso 0 dist 9.55426 9.73139 13.1021 14.5953 20.7459 8.63333 7.02095 11.3177 6.96494 10.6476 numMergedOcc 0
49 mol 58 unq 40 iso 0 dist 9.55426 9.73139 13.1021 14.5953 20.7459 8.63333 8.94672 16.3779 7.01363 5.92889 numMergedOcc 0
50 mol 58 unq 41 iso 0 dist 9.55426 9.73139 13.1021 14.176 20.984 8.89374 7.02095 11.3177 6.96494 12.7331 numMergedOcc 0
51 mol 58 unq 42 iso 0 dist 9.55426 9.73139 13.1021 14.176 20.984 8.89374 8.94672 16.3779 7.01363 7.05413 numMergedOcc 0
52 mol 58 unq 43 iso 0 dist 9.55426 9.73139 13.1021 6.47414 13.4544 6.46761 7.02095 11.3177 6.96494 8.74789 numMergedOcc 0
53 mol 58 unq 44 iso 0 dist 9.55426 9.73139 13.1021 6.47414 13.4544 6.46761 8.94672 16.3779 7.01363 6.61756 numMergedOcc 0
54 mol 58 unq 45 iso 0 dist 9.55426 6.31428 6.75888 5.90225 7.32874 6.40841 10.3782 8.26899 8.80108 4.55117 numMergedOcc 0
55 mol 58 unq 46 iso 0 dist 9.55426 6.31428 6.75888 5.90225 7.32874 6.40841 7.02095 11.3177 6.50297 5.64209 numMergedOcc 0
56 mol 58 unq 47 iso 0 dist 9.55426 6.31428 6.75888 6.47414 13.4544 7.58407 10.3782 8.26899 8.80108 14.7581 numMergedOcc 0
57 mol 58 unq 48 iso 0 dist 9.55426 6.31428 6.75888 6.47414 13.4544 7.58407 7.02095 11.3177 6.50297 8.74789 numMergedOcc 0
58 mol 64 unq 0 iso 0 dist 9.67592 8.68586 5.3948 10.6748 14.5656 9.54144 5.35421 11.9355 8.4517 5.68303 numMergedOcc 0
59 mol 72 unq 0 iso 0 dist 8.8178 6.77912 12.0644 5.36766 12.8385 8.624 9.0131 13.3133 9.19459 6.00418 numMergedOcc 0
60 mol 72 unq 1 iso 0 dist 9.96708 6.77912 7.11552 5.36766 10.8086 8.624 9.0131 7.321 9.19459 6.00418 numMergedOcc 0
61 mol 114 unq 0 iso 0 dist 7.5732 8.71128 5.80557 5.59517 10.1027 7.52743 9.2907 11.641 7.36816 5.33327 numMergedOcc 0
62 mol 114 unq 1 iso 0 dist 7.35754 8.68821 5.33327 8.66412 10.473 7.12609 4.77056 7.52743 7.36816 5.31865 numMergedOcc 0
63 mol 114 unq 2 iso 0 dist 7.35754 7.52743 4.77056 5.59517 10.1937 8.71128 5.33327 8.68821 7.36816 9.2907 numMergedOcc 0
64 mol 127 unq 0 iso 0 dist 8.14887 8.59981 14.9761 11.279 19.0925 6.192 4.77464 11.7714 6.3244 8.00931 numMergedOcc 0
65 mol 127 unq 1 iso 0 dist 8.14887 8.59981 14.9761 11.4958 18.4772 7.69308 4.77464 11.7714 6.3244 6.85862 numMergedOcc 0
66 mol 127 unq 2 iso 0 dist 8.14887 8.59981 14.9761 5.55757 12.8743 7.66331 4.77464 11.7714 6.3244 7.11695 numMergedOcc 0
67 mol 127 unq 3 iso 0 dist 9.30299 8.59981 14.085 11.279 17.6472 6.192 4.77464 9.81878 6.3244 8.00931 numMergedOcc 0
68 mol 127 unq 4 iso 0 dist 9.30299 8.59981 14.085 11.4958 15.0647 7.69308 4.77464 9.81878 6.3244 6.85862 numMergedOcc 0
69 mol 127 unq 5 iso 0 dist 9.30299 8.59981 14.085 5.55757 14.7391 7.66331 4.77464 9.81878 6.3244 7.11695 numMergedOcc 0
70 mol 155 unq 0 iso 0 dist 6.23493 9.17284 4.9093 10.6882 12.1555 9.87281 6.3845 7.16254 6.51096 5.48883 numMergedOcc 0
71 mol 155 unq 1 iso 0 dist 6.23493 9.17284 4.9093 12.1545 11.6934 8.87452 6.3845 7.16254 6.51096 5.77564 numMergedOcc 0
72 mol 155 unq 2 iso 0 dist 6.23493 7.16254 6.3845 5.71071 7.46303 9.14392 4.9093 9.17284 6.51096 6.3437 numMergedOcc 0
73 mol 155 unq 3 iso 0 dist 6.23493 7.16254 6.3845 5.71071 7.46303 9.14392 10.7896 13.2459 8.73171 9.99927 numMergedOcc 0
74 mol 155 unq 4 iso 0 dist 6.23493 9.86313 5.86939 5.71071 7.46303 7.51198 13.5062 12.1081 7.37901 8.27726 numMergedOcc 0
75 mol 155 unq 5 iso 0 dist 7.46303 9.17284 6.3437 10.6882 12.3052 9.87281 6.3845 9.14392 6.51096 5.48883 numMergedOcc 0
76 mol 155 unq 6 iso 0 dist 7.46303 9.17284 6.3437 12.1545 13.4817 8.87452 6.3845 9.14392 6.51096 5.77564 numMergedOcc 0
77 mol 155 unq 7 iso 0 dist 7.46303 9.14392 6.3845 5.71071 6.23493 7.16254 6.3437 9.17284 6.51096 4.9093 numMergedOcc 0
78 mol 155 unq 8 iso 0 dist 7.46303 9.14392 6.3845 5.71071 6.23493 7.16254 9.99927 13.2459 8.73171 10.7896 numMergedOcc 0
79 mol 155 unq 9 iso 0 dist 7.46303 7.51198 5.86939 5.71071 6.23493 9.86313 8.27726 12.1081 7.37901 13.5062 numMergedOcc 0
80 mol 155 unq 10 iso 0 dist 6.43582 7.36102 8.27726 10.7616 10.7829 7.39644 6.34186 7.51198 7.37901 5.40375 numMergedOcc 0
81 mol 155 unq 11 iso 0 dist 6.43582 9.14392 12.1814 5.71071 10.2463 7.16254 6.3437 12.2465 6.51096 4.9093 numMergedOcc 0
82 mol 155 unq 12 iso 0 dist 6.43582 9.14392 12.1814 5.71071 10.2463 7.16254 9.99927 15.1841 8.73171 10.7896 numMergedOcc 0
83 mol 155 unq 13 iso 0 dist 6.43582 7.51198 6.34186 5.71071 10.2463 9.86313 8.27726 7.36102 7.37901 13.5062 numMergedOcc 0
84 mol 156 unq 0 iso 0 dist 7.44554 9.36805 6.29785 5.76755 10.4649 8.47155 7.29758 6.27641 6.90155 9.30783 numMergedOcc 0
85 mol 156 unq 1 iso 0 dist 7.44554 9.36805 6.29785 8.38403 9.83699 7.55203 7.29758 6.27641 6.90155 4.53931 numMergedOcc 0
86 mol 156 unq 2 iso 0 dist 9.83699 7.55203 6.29785 7.60354 10.4649 8.47155 4.53931 6.27641 6.90155 9.30783 numMergedOcc 0
87 mol 156 unq 3 iso 0 dist 9.83699 7.55203 6.29785 8.38403 7.44554 9.36805 4.53931 6.27641 6.90155 7.29758 numMergedOcc 0
88 mol 175 unq 0 iso 0 dist 9.0018 9.8589 8.22779 7.42466 7.652 7.24908 11.0415 9.31887 4.79852 5.0384 numMergedOcc 0
89 mol 175 unq 1 iso 0 dist 7.652 7.24908 8.22779 7.42466 9.0018 9.8589 5.0384 9.31887 4.79852 11.0415 numMergedOcc 0
90 mol 175 unq 2 iso 0 dist 5.6234 9.8589 10.5631 7.42466 9.92231 7.24908 11.0415 12.816 4.79852 5.0384 numMergedOcc 0
91 mol 175 unq 3 iso 0 dist 9.92231 7.24908 10.5631 7.42466 5.6234 9.8589 5.0384 12.816 4.79852 11.0415 numMergedOcc 0
92 mol 175 unq 4 iso 0 dist 6.57069 9.8589 7.5414 7.42466 10.2623 7.24908 11.0415 11.3137 4.79852 5.0384 numMergedOcc 0
93 mol 224 unq 0 iso 0 dist 8.95269 6.67585 5.29877 4.70378 6.57273 6.65984 7.98696 6.87664 9.47554 7.12232 numMergedOcc 0
94 mol 224 unq 1 iso 0 dist 6.57273 6.65984 5.29877 4.70378 8.95269 6.67585 7.12232 6.87664 9.47554 7.98696 numMergedOcc 0
95 mol 224 unq 2 iso 0 dist 6.60589 6.65984 6.12232 4.70378 9.99123 6.67585 7.12232 10.8259 9.47554 7.98696 numMergedOcc 0
96 mol 227 unq 0 iso 0 dist 7.22101 8.17891 6.43754 5.22356 8.65997 6.95902 13.3557 12.3856 7.95168 8.8709 numMergedOcc 0
97 mol 227 unq 1 iso 0 dist 8.65997 6.95902 6.43754 5.22356 7.22101 8.17891 8.8709 12.3856 7.95168 13.3557 numMergedOcc 0
98 mol 227 unq 2 iso 0 dist 7.09863 8.17891 9.13836 5.22356 10.8157 6.95902 13.3557 16.1617 7.95168 8.8709 numMergedOcc 0
99 mol 238 unq 0 iso 0 dist 6.22714 7.49471 5.17471 5.34096 7.31233 7.19008 12.1252 9.38422 6.17025 8.82861 numMergedOcc 0
100 mol 238 unq 1 iso 0 dist 7.31233 7.02475 11.2717 12.9854 12.4767 8.96531 8.82861 9.38422 6.65088 4.65297 numMergedOcc 0
101 mol 238 unq 2 iso 0 dist 7.31233 7.19008 5.17471 5.34096 6.22714 7.49471 8.82861 9.38422 6.17025 12.1252 numMergedOcc 0
