0 mol 16 unq 0 iso 0 dist 7.46752 5.66097 7.63133 6.06561 5.46498 5.32694 10.8592 10.8455 6.31718 10.9143 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 7.46752 5.66097 7.63133 8.02077 8.71745 10.4155 10.8592 10.8455 6.31718 16.4009 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 8.18518 14.1404 8.4674 6.57145 4.54938 7.67038 12.9091 5.80928 4.51865 6.864 numMergedOcc 0
3 mol 19 unq 1 iso 0 dist 8.18518 14.1404 8.4674 6.01189 7.82074 10.3915 12.9091 5.80928 4.51865 11.0366 numMergedOcc 0
4 mol 19 unq 2 iso 0 dist 8.18518 6.57145 4.54938 14.1404 8.4674 7.67038 10.7917 7.34551 7.20519 10.4091 numMergedOcc 0
5 mol 19 unq 3 iso 0 dist 8.18518 6.57145 4.54938 14.1404 8.4674 7.67038 12.9091 5.80928 6.864 4.51865 numMergedOcc 0
6 mol 19 unq 4 iso 0 dist 8.18518 6.57145 4.54938 6.01189 7.82074 5.03957 10.7917 7.34551 7.20519 12.1187 numMergedOcc 0
7 mol 19 unq 5 iso 0 dist 8.18518 6.57145 4.54938 6.01189 7.82074 5.03957 12.9091 5.80928 6.864 11.0366 numMergedOcc 0
8 mol 60 unq 0 iso 0 dist 8.8058 12.5818 6.43294 5.09908 8.33063 10.1562 17.8366 10.6819 6.65595 16.4714 numMergedOcc 0
9 mol 60 unq 1 iso 0 dist 8.8058 12.5818 6.43294 5.09908 8.33063 10.1562 17.4408 11.3621 9.25011 17.3965 numMergedOcc 0
10 mol 60 unq 2 iso 0 dist 8.8058 12.5818 6.43294 5.09908 8.33063 10.1562 12.1949 5.51199 8.52121 13.1051 numMergedOcc 0
11 mol 60 unq 3 iso 0 dist 8.8058 12.5818 6.43294 10.0675 8.7531 5.67502 17.8366 10.6819 6.65595 11.1899 numMergedOcc 0
12 mol 60 unq 4 iso 0 dist 8.8058 12.5818 6.43294 10.0675 8.7531 5.67502 17.4408 11.3621 9.25011 12.4656 numMergedOcc 0
13 mol 60 unq 5 iso 0 dist 8.8058 12.5818 6.43294 10.0675 8.7531 5.67502 12.1949 5.51199 8.52121 11.6311 numMergedOcc 0
14 mol 73 unq 0 iso 0 dist 5.79954 12.8388 9.96396 14.1415 9.38498 15.7123 10.4766 5.4148 6.19304 10.2049 numMergedOcc 0
15 mol 73 unq 1 iso 0 dist 5.79954 12.8388 9.96396 14.1415 9.38498 15.7123 15.4777 14.9342 8.70481 20.257 numMergedOcc 0
16 mol 73 unq 2 iso 0 dist 5.79954 12.8388 9.96396 9.65653 9.75218 12.016 10.4766 5.4148 6.19304 11.6369 numMergedOcc 0
17 mol 73 unq 3 iso 0 dist 5.79954 12.8388 9.96396 9.65653 9.75218 12.016 15.4777 14.9342 8.70481 10.1207 numMergedOcc 0
18 mol 73 unq 4 iso 0 dist 7.01889 15.0744 9.96396 7.9573 9.38498 15.7123 10.997 5.4148 6.19304 10.2049 numMergedOcc 0
19 mol 73 unq 5 iso 0 dist 7.01889 15.0744 9.96396 7.9573 9.38498 15.7123 17.1639 14.9342 8.70481 20.257 numMergedOcc 0
20 mol 73 unq 6 iso 0 dist 7.01889 15.0744 9.96396 8.11922 9.75218 12.016 10.997 5.4148 6.19304 11.6369 numMergedOcc 0
21 mol 73 unq 7 iso 0 dist 7.01889 15.0744 9.96396 8.11922 9.75218 12.016 17.1639 14.9342 8.70481 10.1207 numMergedOcc 0
22 mol 85 unq 0 iso 0 dist 9.22376 5.75796 7.47541 3.85308 7.66905 5.42586 9.8682 6.9948 7.97049 6.19965 numMergedOcc 0
23 mol 85 unq 1 iso 0 dist 9.22376 5.75796 7.47541 9.77828 5.73196 6.87425 9.8682 6.9948 7.97049 11.2656 numMergedOcc 0
24 mol 85 unq 2 iso 0 dist 9.22376 3.85308 7.66905 5.75796 7.47541 5.42586 11.7729 10.7229 7.95579 11.3023 numMergedOcc 0
25 mol 85 unq 3 iso 0 dist 9.22376 3.85308 7.66905 5.75796 7.47541 5.42586 9.8682 6.9948 6.19965 7.97049 numMergedOcc 0
26 mol 85 unq 4 iso 0 dist 9.22376 3.85308 7.66905 9.77828 5.73196 10.1164 11.7729 10.7229 7.95579 15.309 numMergedOcc 0
27 mol 85 unq 5 iso 0 dist 9.22376 3.85308 7.66905 9.77828 5.73196 10.1164 9.8682 6.9948 6.19965 11.2656 numMergedOcc 0
28 mol 95 unq 0 iso 0 dist 9.40559 11.8978 8.03644 13.018 7.27724 8.41707 18.3849 16.6055 9.03572 16.9836 numMergedOcc 0
29 mol 95 unq 1 iso 0 dist 9.40559 11.8978 8.03644 13.018 7.27724 8.41707 15.9184 13.8105 8.83255 16.9811 numMergedOcc 0
30 mol 95 unq 2 iso 0 dist 8.26838 15.4217 8.03644 4.33346 9.03572 16.6055 15.3713 8.41707 7.27724 16.9836 numMergedOcc 0
31 mol 95 unq 3 iso 0 dist 8.26838 15.4217 8.03644 7.47119 8.83255 13.8105 15.3713 8.41707 7.27724 16.9811 numMergedOcc 0
32 mol 115 unq 0 iso 0 dist 9.56867 9.97256 6.11741 7.64822 7.88312 7.69052 12.7842 8.02349 9.33865 5.83991 numMergedOcc 0
33 mol 115 unq 1 iso 0 dist 9.56867 7.64822 7.88312 9.97256 6.11741 7.69052 7.44784 11.5723 7.30858 13.8473 numMergedOcc 0
34 mol 115 unq 2 iso 0 dist 9.56867 7.64822 7.88312 9.97256 6.11741 7.69052 12.7842 8.02349 5.83991 9.33865 numMergedOcc 0
35 mol 115 unq 3 iso 0 dist 8.35604 11.9798 7.11972 5.3967 5.11551 6.5838 16.1591 10.498 6.90986 11.4095 numMergedOcc 0
36 mol 115 unq 4 iso 0 dist 7.83568 11.3906 7.11972 7.10772 5.11551 6.5838 17.2205 10.498 6.90986 11.4095 numMergedOcc 0
37 mol 133 unq 0 iso 0 dist 7.15203 5.38237 7.24514 9.71227 8.22656 6.65743 12.6562 6.761 9.91388 10.0372 numMergedOcc 0
38 mol 133 unq 1 iso 0 dist 7.15203 5.38237 7.24514 9.71227 8.22656 6.65743 10.7939 7.6656 9.52634 13.4163 numMergedOcc 0
39 mol 133 unq 2 iso 0 dist 7.15203 9.71227 8.22656 5.38237 7.24514 6.65743 11.0475 5.61668 6.82262 10.2995 numMergedOcc 0
40 mol 134 unq 0 iso 0 dist 5.67862 9.52819 6.37586 12.4156 9.71307 6.81259 10.738 5.49782 8.94367 9.86662 numMergedOcc 0
41 mol 134 unq 1 iso 0 dist 5.67862 9.52819 6.37586 12.4156 9.71307 6.81259 7.97208 5.00817 6.49416 12.5075 numMergedOcc 0
42 mol 134 unq 2 iso 0 dist 5.67862 12.4156 9.71307 9.52819 6.37586 6.81259 10.738 5.49782 9.86662 8.94367 numMergedOcc 0
43 mol 134 unq 3 iso 0 dist 7.97208 12.5576 6.54501 9.52819 6.49416 5.00526 11.8406 5.79898 9.89303 9.93925 numMergedOcc 0
44 mol 134 unq 4 iso 0 dist 7.97208 9.52819 6.49416 12.5576 6.54501 5.00526 10.738 8.80819 8.94367 11.9139 numMergedOcc 0
45 mol 134 unq 5 iso 0 dist 7.97208 9.52819 6.49416 12.5576 6.54501 5.00526 5.67862 5.00817 6.37586 9.5126 numMergedOcc 0
46 mol 175 unq 0 iso 0 dist 6.73365 5.73338 5.6234 12.753 9.92231 7.42466 12.3723 6.2715 9.0018 7.652 numMergedOcc 0
47 mol 175 unq 1 iso 0 dist 6.73365 5.73338 5.6234 12.753 9.92231 7.42466 9.45659 5.35493 6.57069 10.2623 numMergedOcc 0
48 mol 175 unq 2 iso 0 dist 6.73365 12.753 9.92231 5.73338 5.6234 7.42466 12.3723 6.2715 7.652 9.0018 numMergedOcc 0
49 mol 175 unq 3 iso 0 dist 6.6776 13.7028 9.0018 10.4662 5.6234 6.2715 11.1815 7.42466 7.652 9.92231 numMergedOcc 0
50 mol 175 unq 4 iso 0 dist 6.6776 13.7028 9.0018 7.42609 6.57069 8.16421 11.1815 7.42466 7.652 10.2623 numMergedOcc 0
51 mol 175 unq 5 iso 0 dist 6.6776 10.4662 5.6234 13.7028 9.0018 6.2715 11.1815 7.42466 9.92231 7.652 numMergedOcc 0
52 mol 175 unq 6 iso 0 dist 6.6776 10.4662 5.6234 7.42609 6.57069 5.35493 11.1815 7.42466 9.92231 10.2623 numMergedOcc 0
53 mol 186 unq 0 iso 0 dist 6.86297 8.03427 8.87694 7.56632 9.09754 9.50685 10.7452 5.74635 7.54065 10.7914 numMergedOcc 0
54 mol 186 unq 1 iso 0 dist 6.86297 8.03427 8.87694 7.56632 9.09754 9.50685 13.9315 14.9058 9.70748 18.6929 numMergedOcc 0
55 mol 206 unq 0 iso 0 dist 7.10166 13.609 9.774 5.15743 8.02137 10.4 11.1422 5.63422 7.7366 11.1804 numMergedOcc 0
56 mol 206 unq 1 iso 0 dist 9.66896 12.0196 9.774 15.7773 8.02137 10.4 10.4092 5.63422 7.7366 11.1804 numMergedOcc 0
57 mol 236 unq 0 iso 0 dist 9.97357 8.3919 8.03456 4.88785 6.84306 5.79505 6.36941 7.28249 9.81562 7.68742 numMergedOcc 0
58 mol 236 unq 1 iso 0 dist 9.97357 8.3919 8.03456 10.2557 9.99038 9.90963 6.36941 7.28249 9.81562 6.27581 numMergedOcc 0
59 mol 236 unq 2 iso 0 dist 9.97357 8.3919 8.03456 14.6755 9.78037 6.96005 6.36941 7.28249 9.81562 13.499 numMergedOcc 0
60 mol 236 unq 3 iso 0 dist 9.97357 8.3919 8.03456 16.5918 8.35971 14.2337 6.36941 7.28249 9.81562 11.2141 numMergedOcc 0
61 mol 236 unq 4 iso 0 dist 9.97357 4.88785 6.84306 8.3919 8.03456 5.79505 6.36941 7.28249 7.68742 9.81562 numMergedOcc 0
62 mol 236 unq 5 iso 0 dist 9.97357 4.88785 6.84306 10.2557 9.99038 11.3368 6.36941 7.28249 7.68742 6.27581 numMergedOcc 0
63 mol 236 unq 6 iso 0 dist 9.97357 4.88785 6.84306 14.6755 9.78037 11.8739 6.36941 7.28249 7.68742 13.499 numMergedOcc 0
64 mol 236 unq 7 iso 0 dist 9.97357 4.88785 6.84306 16.5918 8.35971 14.7998 6.36941 7.28249 7.68742 11.2141 numMergedOcc 0
65 mol 236 unq 8 iso 0 dist 9.97357 10.2557 9.99038 8.3919 8.03456 9.90963 6.36941 7.28249 6.27581 9.81562 numMergedOcc 0
66 mol 236 unq 9 iso 0 dist 9.97357 10.2557 9.99038 4.88785 6.84306 11.3368 6.36941 7.28249 6.27581 7.68742 numMergedOcc 0
67 mol 236 unq 10 iso 0 dist 9.97357 10.2557 9.99038 14.6755 9.78037 11.1557 6.36941 7.28249 6.27581 13.499 numMergedOcc 0
68 mol 236 unq 11 iso 0 dist 9.97357 10.2557 9.99038 16.5918 8.35971 10.7497 6.36941 7.28249 6.27581 11.2141 numMergedOcc 0
69 mol 236 unq 12 iso 0 dist 9.97357 16.5918 8.35971 8.3919 8.03456 14.2337 16.6071 7.43758 8.04248 15.1853 numMergedOcc 0
70 mol 236 unq 13 iso 0 dist 9.97357 16.5918 8.35971 4.88785 6.84306 14.7998 16.6071 7.43758 8.04248 13.5269 numMergedOcc 0
71 mol 236 unq 14 iso 0 dist 9.97357 16.5918 8.35971 10.2557 9.99038 10.7497 16.6071 7.43758 8.04248 15.7308 numMergedOcc 0
72 mol 236 unq 15 iso 0 dist 9.97357 16.5918 8.35971 14.6755 9.78037 12.0369 16.6071 7.43758 8.04248 14.9122 numMergedOcc 0
73 mol 236 unq 16 iso 0 dist 6.73134 5.27568 8.35971 5.52669 8.04248 7.43758 12.96 14.2337 8.03456 15.1853 numMergedOcc 0
74 mol 236 unq 17 iso 0 dist 6.73134 5.27568 8.35971 5.52669 8.04248 7.43758 10.8312 14.7998 6.84306 13.5269 numMergedOcc 0
75 mol 236 unq 18 iso 0 dist 6.73134 5.27568 8.35971 5.52669 8.04248 7.43758 11.2195 10.7497 9.99038 15.7308 numMergedOcc 0
76 mol 236 unq 19 iso 0 dist 6.73134 5.27568 8.35971 5.52669 8.04248 7.43758 14.0541 12.0369 9.78037 14.9122 numMergedOcc 0
77 mol 236 unq 20 iso 0 dist 6.36941 8.3919 9.81562 4.88785 7.68742 5.79505 9.97357 7.28249 8.03456 6.84306 numMergedOcc 0
78 mol 236 unq 21 iso 0 dist 6.36941 8.3919 9.81562 10.2557 6.27581 9.90963 9.97357 7.28249 8.03456 9.99038 numMergedOcc 0
79 mol 236 unq 22 iso 0 dist 6.36941 4.88785 7.68742 8.3919 9.81562 5.79505 9.97357 7.28249 6.84306 8.03456 numMergedOcc 0
80 mol 236 unq 23 iso 0 dist 6.36941 4.88785 7.68742 10.2557 6.27581 11.3368 9.97357 7.28249 6.84306 9.99038 numMergedOcc 0
81 mol 236 unq 24 iso 0 dist 6.36941 10.2557 6.27581 8.3919 9.81562 9.90963 9.97357 7.28249 9.99038 8.03456 numMergedOcc 0
82 mol 236 unq 25 iso 0 dist 6.36941 10.2557 6.27581 4.88785 7.68742 11.3368 9.97357 7.28249 9.99038 6.84306 numMergedOcc 0
83 mol 253 unq 0 iso 0 dist 7.71295 4.84708 8.31064 6.27022 6.73034 8.02948 7.80525 7.25988 7.32223 11.6434 numMergedOcc 0
84 mol 259 unq 0 iso 0 dist 6.96379 10.908 8.13497 12.7595 7.88519 4.69778 14.2826 10.582 8.53687 10.5767 numMergedOcc 0
85 mol 259 unq 1 iso 0 dist 6.96379 12.7595 7.88519 10.908 8.13497 4.69778 11.7889 4.86771 7.84554 9.95973 numMergedOcc 0
86 mol 259 unq 2 iso 0 dist 6.96379 12.7595 7.88519 10.908 8.13497 4.69778 11.1532 6.96053 7.46176 10.3935 numMergedOcc 0
87 mol 259 unq 3 iso 0 dist 6.96379 12.7595 7.88519 10.908 8.13497 4.69778 17.4423 10.4881 9.18903 12.6839 numMergedOcc 0
88 mol 272 unq 0 iso 0 dist 6.62923 5.27123 8.46116 11.9042 9.97651 8.12676 4.78812 5.40809 8.33638 13.2494 numMergedOcc 0
