0 mol 0 unq 0 iso 0 dist 8.24206 5.25456 7.37981 13.5517 12.7599 9.6994 9.5614 13.3337 7.15528 7.19817 numMergedOcc 0
1 mol 0 unq 0 iso 1 dist 8.24206 5.25456 7.37981 9.5614 13.3337 7.15528 13.5517 12.7599 9.6994 7.19817 numMergedOcc 0
2 mol 0 unq 1 iso 0 dist 6.19218 5.25456 7.19621 13.5517 9.95 9.6994 9.5614 6.83587 7.15528 7.19817 numMergedOcc 0
3 mol 0 unq 1 iso 1 dist 6.19218 5.25456 7.19621 9.5614 6.83587 7.15528 13.5517 9.95 9.6994 7.19817 numMergedOcc 0
4 mol 0 unq 2 iso 0 dist 7.19397 7.1599 7.19621 12.3538 9.95 9.6994 5.55156 6.83587 7.15528 7.19817 numMergedOcc 0
5 mol 0 unq 2 iso 1 dist 7.19397 7.1599 7.19621 5.55156 6.83587 7.15528 12.3538 9.95 9.6994 7.19817 numMergedOcc 0
6 mol 16 unq 0 iso 0 dist 7.88676 5.66097 5.84479 10.8592 5.35079 6.31718 7.46752 6.53177 7.63133 10.8455 numMergedOcc 0
7 mol 16 unq 0 iso 1 dist 7.88676 5.66097 5.84479 7.46752 6.53177 7.63133 10.8592 5.35079 6.31718 10.8455 numMergedOcc 0
8 mol 38 unq 0 iso 0 dist 5.86972 7.46414 9.23576 8.80956 7.35595 7.50293 12.4417 8.59794 9.91611 5.79773 numMergedOcc 0
9 mol 38 unq 0 iso 1 dist 5.86972 7.46414 9.23576 12.4417 8.59794 9.91611 8.80956 7.35595 7.50293 5.79773 numMergedOcc 0
10 mol 61 unq 0 iso 0 dist 8.30431 6.32949 9.62468 9.59947 10.7369 6.65721 12.3891 11.5608 6.72123 6.86346 numMergedOcc 0
11 mol 61 unq 0 iso 1 dist 8.30431 6.32949 9.62468 12.3891 11.5608 6.72123 9.59947 10.7369 6.65721 6.86346 numMergedOcc 0
12 mol 61 unq 1 iso 0 dist 4.628 6.32949 5.92705 9.59947 5.4671 6.65721 12.3891 10.1513 6.72123 6.86346 numMergedOcc 0
13 mol 61 unq 1 iso 1 dist 4.628 6.32949 5.92705 12.3891 10.1513 6.72123 9.59947 5.4671 6.65721 6.86346 numMergedOcc 0
14 mol 73 unq 0 iso 0 dist 5.39171 10.5627 6.89722 10.392 10.4716 9.96396 6.30194 5.2774 6.19304 5.4148 numMergedOcc 0
15 mol 73 unq 0 iso 1 dist 5.39171 10.5627 6.89722 6.30194 5.2774 6.19304 10.392 10.4716 9.96396 5.4148 numMergedOcc 0
16 mol 73 unq 1 iso 0 dist 5.39171 10.5627 6.89722 10.392 10.4716 9.96396 18.5427 13.9156 8.70481 14.9342 numMergedOcc 0
17 mol 73 unq 1 iso 1 dist 5.39171 10.5627 6.89722 18.5427 13.9156 8.70481 10.392 10.4716 9.96396 14.9342 numMergedOcc 0
18 mol 73 unq 1 iso 0 dist 5.39171 10.5627 6.89722 6.30194 5.2774 6.19304 18.5427 13.9156 8.70481 13.3558 numMergedOcc 0
19 mol 73 unq 1 iso 1 dist 5.39171 10.5627 6.89722 18.5427 13.9156 8.70481 6.30194 5.2774 6.19304 13.3558 numMergedOcc 0
20 mol 73 unq 2 iso 0 dist 9.27355 10.5627 7.26679 10.392 8.31041 9.96396 6.30194 5.44275 6.19304 5.4148 numMergedOcc 0
21 mol 73 unq 2 iso 1 dist 9.27355 10.5627 7.26679 6.30194 5.44275 6.19304 10.392 8.31041 9.96396 5.4148 numMergedOcc 0
22 mol 73 unq 3 iso 0 dist 9.27355 10.5627 7.26679 10.392 8.31041 9.96396 18.5427 11.2674 8.70481 14.9342 numMergedOcc 0
23 mol 73 unq 3 iso 1 dist 9.27355 10.5627 7.26679 18.5427 11.2674 8.70481 10.392 8.31041 9.96396 14.9342 numMergedOcc 0
24 mol 73 unq 3 iso 0 dist 9.27355 10.5627 7.26679 6.30194 5.44275 6.19304 18.5427 11.2674 8.70481 13.3558 numMergedOcc 0
25 mol 73 unq 3 iso 1 dist 9.27355 10.5627 7.26679 18.5427 11.2674 8.70481 6.30194 5.44275 6.19304 13.3558 numMergedOcc 0
26 mol 92 unq 0 iso 0 dist 8.67865 5.1767 4.98104 10.9081 10.7572 7.4729 10.3582 5.50764 6.82344 8.95922 numMergedOcc 0
27 mol 92 unq 0 iso 1 dist 8.67865 5.1767 4.98104 10.3582 5.50764 6.82344 10.9081 10.7572 7.4729 8.95922 numMergedOcc 0
28 mol 152 unq 0 iso 0 dist 6.4737 7.20811 9.74498 13.03 10.7816 8.67331 9.36082 7.26476 8.05741 5.49936 numMergedOcc 0
29 mol 152 unq 0 iso 1 dist 6.4737 7.20811 9.74498 9.36082 7.26476 8.05741 13.03 10.7816 8.67331 5.49936 numMergedOcc 0
30 mol 175 unq 0 iso 0 dist 6.21546 5.73338 8.69888 12.3723 11.5099 9.0018 6.73365 5.50014 5.6234 6.2715 numMergedOcc 0
31 mol 175 unq 0 iso 1 dist 6.21546 5.73338 8.69888 6.73365 5.50014 5.6234 12.3723 11.5099 9.0018 6.2715 numMergedOcc 0
32 mol 175 unq 1 iso 0 dist 6.21546 5.73338 8.69888 12.3723 11.5099 9.0018 9.45659 7.39186 6.57069 8.16421 numMergedOcc 0
33 mol 175 unq 1 iso 1 dist 6.21546 5.73338 8.69888 9.45659 7.39186 6.57069 12.3723 11.5099 9.0018 8.16421 numMergedOcc 0
34 mol 175 unq 1 iso 0 dist 6.21546 5.73338 8.69888 6.73365 5.50014 5.6234 9.45659 7.39186 6.57069 5.35493 numMergedOcc 0
35 mol 175 unq 1 iso 1 dist 6.21546 5.73338 8.69888 9.45659 7.39186 6.57069 6.73365 5.50014 5.6234 5.35493 numMergedOcc 0
36 mol 175 unq 2 iso 0 dist 6.03184 5.73338 5.08206 12.3723 12.1783 9.0018 6.73365 7.28617 5.6234 6.2715 numMergedOcc 0
37 mol 175 unq 2 iso 1 dist 6.03184 5.73338 5.08206 6.73365 7.28617 5.6234 12.3723 12.1783 9.0018 6.2715 numMergedOcc 0
38 mol 175 unq 3 iso 0 dist 6.03184 5.73338 5.08206 12.3723 12.1783 9.0018 9.45659 5.77256 6.57069 8.16421 numMergedOcc 0
39 mol 175 unq 3 iso 1 dist 6.03184 5.73338 5.08206 9.45659 5.77256 6.57069 12.3723 12.1783 9.0018 8.16421 numMergedOcc 0
40 mol 175 unq 3 iso 0 dist 6.03184 5.73338 5.08206 6.73365 7.28617 5.6234 9.45659 5.77256 6.57069 5.35493 numMergedOcc 0
41 mol 175 unq 3 iso 1 dist 6.03184 5.73338 5.08206 9.45659 5.77256 6.57069 6.73365 7.28617 5.6234 5.35493 numMergedOcc 0
42 mol 178 unq 0 iso 0 dist 8.14441 13.6129 8.0974 18.3231 12.2822 6.69288 19.4581 12.4338 6.43573 5.34677 numMergedOcc 0
43 mol 178 unq 0 iso 1 dist 8.14441 13.6129 8.0974 19.4581 12.4338 6.43573 18.3231 12.2822 6.69288 5.34677 numMergedOcc 0
44 mol 178 unq 1 iso 0 dist 8.14441 13.6129 8.0974 18.3231 12.2822 6.69288 17.5964 13.9722 7.17202 11.7381 numMergedOcc 0
45 mol 178 unq 1 iso 1 dist 8.14441 13.6129 8.0974 17.5964 13.9722 7.17202 18.3231 12.2822 6.69288 11.7381 numMergedOcc 0
46 mol 178 unq 2 iso 0 dist 8.14441 13.6129 8.0974 18.3231 12.2822 6.69288 17.9703 13.5599 8.81551 14.0703 numMergedOcc 0
47 mol 178 unq 2 iso 1 dist 8.14441 13.6129 8.0974 17.9703 13.5599 8.81551 18.3231 12.2822 6.69288 14.0703 numMergedOcc 0
48 mol 178 unq 1 iso 0 dist 8.14441 13.6129 8.0974 19.4581 12.4338 6.43573 17.5964 13.9722 7.17202 9.89739 numMergedOcc 0
49 mol 178 unq 1 iso 1 dist 8.14441 13.6129 8.0974 17.5964 13.9722 7.17202 19.4581 12.4338 6.43573 9.89739 numMergedOcc 0
50 mol 178 unq 2 iso 0 dist 8.14441 13.6129 8.0974 19.4581 12.4338 6.43573 17.9703 13.5599 8.81551 10.5529 numMergedOcc 0
51 mol 178 unq 2 iso 1 dist 8.14441 13.6129 8.0974 17.9703 13.5599 8.81551 19.4581 12.4338 6.43573 10.5529 numMergedOcc 0
52 mol 178 unq 2 iso 0 dist 8.14441 13.6129 8.0974 17.5964 13.9722 7.17202 17.9703 13.5599 8.81551 5.18005 numMergedOcc 0
53 mol 178 unq 2 iso 1 dist 8.14441 13.6129 8.0974 17.9703 13.5599 8.81551 17.5964 13.9722 7.17202 5.18005 numMergedOcc 0
54 mol 214 unq 0 iso 0 dist 9.81136 17.404 8.49704 18.7061 12.4611 9.65138 17.5046 11.832 7.14453 9.10746 numMergedOcc 0
55 mol 214 unq 0 iso 1 dist 9.81136 17.404 8.49704 17.5046 11.832 7.14453 18.7061 12.4611 9.65138 9.10746 numMergedOcc 0
56 mol 214 unq 1 iso 0 dist 9.81136 17.404 8.49704 18.7061 12.4611 9.65138 18.1374 10.644 8.85478 4.40923 numMergedOcc 0
57 mol 214 unq 1 iso 1 dist 9.81136 17.404 8.49704 18.1374 10.644 8.85478 18.7061 12.4611 9.65138 4.40923 numMergedOcc 0
58 mol 214 unq 1 iso 0 dist 9.81136 17.404 8.49704 17.5046 11.832 7.14453 18.1374 10.644 8.85478 11.3796 numMergedOcc 0
59 mol 214 unq 1 iso 1 dist 9.81136 17.404 8.49704 18.1374 10.644 8.85478 17.5046 11.832 7.14453 11.3796 numMergedOcc 0
60 mol 220 unq 0 iso 0 dist 7.57712 6.19375 7.31105 15.0279 14.6296 9.23153 13.2107 9.52692 8.24498 10.5449 numMergedOcc 0
61 mol 220 unq 0 iso 1 dist 7.57712 6.19375 7.31105 13.2107 9.52692 8.24498 15.0279 14.6296 9.23153 10.5449 numMergedOcc 0
62 mol 224 unq 0 iso 0 dist 7.62593 11.4653 9.33771 4.79841 5.41021 8.95269 9.04374 4.91322 6.57273 4.70378 numMergedOcc 0
63 mol 224 unq 0 iso 1 dist 7.62593 11.4653 9.33771 9.04374 4.91322 6.57273 4.79841 5.41021 8.95269 4.70378 numMergedOcc 0
64 mol 224 unq 1 iso 0 dist 7.62593 11.4653 9.33771 4.79841 5.41021 8.95269 15.1903 12.979 5.78342 11.5372 numMergedOcc 0
65 mol 224 unq 1 iso 1 dist 7.62593 11.4653 9.33771 15.1903 12.979 5.78342 4.79841 5.41021 8.95269 11.5372 numMergedOcc 0
66 mol 224 unq 1 iso 0 dist 7.62593 11.4653 9.33771 9.04374 4.91322 6.57273 15.1903 12.979 5.78342 8.49799 numMergedOcc 0
67 mol 224 unq 1 iso 1 dist 7.62593 11.4653 9.33771 15.1903 12.979 5.78342 9.04374 4.91322 6.57273 8.49799 numMergedOcc 0
68 mol 224 unq 2 iso 0 dist 7.62593 12.5358 7.39839 14.7665 7.65225 6.65832 9.04374 4.91322 6.60589 6.77699 numMergedOcc 0
69 mol 224 unq 2 iso 1 dist 7.62593 12.5358 7.39839 9.04374 4.91322 6.60589 14.7665 7.65225 6.65832 6.77699 numMergedOcc 0
70 mol 224 unq 3 iso 0 dist 7.62593 12.5358 7.39839 14.7665 7.65225 6.65832 15.1903 12.979 9.16166 11.328 numMergedOcc 0
71 mol 224 unq 3 iso 1 dist 7.62593 12.5358 7.39839 15.1903 12.979 9.16166 14.7665 7.65225 6.65832 11.328 numMergedOcc 0
72 mol 224 unq 3 iso 0 dist 7.62593 12.5358 7.39839 9.04374 4.91322 6.60589 15.1903 12.979 9.16166 8.49799 numMergedOcc 0
73 mol 224 unq 3 iso 1 dist 7.62593 12.5358 7.39839 15.1903 12.979 9.16166 9.04374 4.91322 6.60589 8.49799 numMergedOcc 0
74 mol 248 unq 0 iso 0 dist 8.11968 9.48478 8.71859 6.44967 4.53213 7.69895 11.4848 6.33032 7.21521 5.55137 numMergedOcc 0
75 mol 248 unq 0 iso 1 dist 8.11968 9.48478 8.71859 11.4848 6.33032 7.21521 6.44967 4.53213 7.69895 5.55137 numMergedOcc 0
76 mol 248 unq 1 iso 0 dist 8.11968 9.48478 8.71859 6.44967 4.53213 7.69895 15.9246 11.762 8.2965 10.8081 numMergedOcc 0
77 mol 248 unq 1 iso 1 dist 8.11968 9.48478 8.71859 15.9246 11.762 8.2965 6.44967 4.53213 7.69895 10.8081 numMergedOcc 0
78 mol 248 unq 1 iso 0 dist 8.11968 9.48478 8.71859 11.4848 6.33032 7.21521 15.9246 11.762 8.2965 5.86196 numMergedOcc 0
79 mol 248 unq 1 iso 1 dist 8.11968 9.48478 8.71859 15.9246 11.762 8.2965 11.4848 6.33032 7.21521 5.86196 numMergedOcc 0
80 mol 249 unq 0 iso 0 dist 6.18866 12.5843 7.29898 12.4678 6.6173 7.57994 15.0782 8.95486 6.18582 5.01979 numMergedOcc 0
81 mol 249 unq 0 iso 1 dist 6.18866 12.5843 7.29898 15.0782 8.95486 6.18582 12.4678 6.6173 7.57994 5.01979 numMergedOcc 0
82 mol 249 unq 1 iso 0 dist 9.3807 12.5843 8.91685 12.4678 5.25611 7.57994 15.0782 9.66184 6.18582 5.01979 numMergedOcc 0
83 mol 249 unq 1 iso 1 dist 9.3807 12.5843 8.91685 15.0782 9.66184 6.18582 12.4678 5.25611 7.57994 5.01979 numMergedOcc 0
84 mol 258 unq 0 iso 0 dist 7.70189 9.78068 8.58088 14.0712 10.221 6.60405 8.81059 9.22664 6.42289 7.26417 numMergedOcc 0
85 mol 258 unq 0 iso 1 dist 7.70189 9.78068 8.58088 8.81059 9.22664 6.42289 14.0712 10.221 6.60405 7.26417 numMergedOcc 0
86 mol 259 unq 0 iso 0 dist 8.73077 13.6207 6.77279 15.7201 7.55268 8.53687 11.4871 5.71237 8.13497 10.582 numMergedOcc 0
87 mol 259 unq 0 iso 1 dist 8.73077 13.6207 6.77279 11.4871 5.71237 8.13497 15.7201 7.55268 8.53687 10.582 numMergedOcc 0
88 mol 259 unq 1 iso 0 dist 8.73077 16.6797 9.58006 11.4871 5.71237 7.88519 16.137 9.10984 7.84554 4.86771 numMergedOcc 0
89 mol 259 unq 1 iso 1 dist 8.73077 16.6797 9.58006 16.137 9.10984 7.84554 11.4871 5.71237 7.88519 4.86771 numMergedOcc 0
90 mol 259 unq 2 iso 0 dist 8.73077 16.6797 9.58006 11.4871 5.71237 7.88519 16.2919 11.8501 7.46176 6.96053 numMergedOcc 0
91 mol 259 unq 2 iso 1 dist 8.73077 16.6797 9.58006 16.2919 11.8501 7.46176 11.4871 5.71237 7.88519 6.96053 numMergedOcc 0
92 mol 259 unq 3 iso 0 dist 8.73077 16.6797 9.58006 11.4871 5.71237 7.88519 21.7522 13.9868 9.18903 10.4881 numMergedOcc 0
93 mol 259 unq 3 iso 1 dist 8.73077 16.6797 9.58006 21.7522 13.9868 9.18903 11.4871 5.71237 7.88519 10.4881 numMergedOcc 0
94 mol 259 unq 2 iso 0 dist 8.73077 16.6797 9.58006 16.137 9.10984 7.84554 16.2919 11.8501 7.46176 7.64658 numMergedOcc 0
95 mol 259 unq 2 iso 1 dist 8.73077 16.6797 9.58006 16.2919 11.8501 7.46176 16.137 9.10984 7.84554 7.64658 numMergedOcc 0
96 mol 259 unq 3 iso 0 dist 8.73077 16.6797 9.58006 16.137 9.10984 7.84554 21.7522 13.9868 9.18903 5.87173 numMergedOcc 0
97 mol 259 unq 3 iso 1 dist 8.73077 16.6797 9.58006 21.7522 13.9868 9.18903 16.137 9.10984 7.84554 5.87173 numMergedOcc 0
98 mol 259 unq 3 iso 0 dist 8.73077 16.6797 9.58006 16.2919 11.8501 7.46176 21.7522 13.9868 9.18903 10.5239 numMergedOcc 0
99 mol 259 unq 3 iso 1 dist 8.73077 16.6797 9.58006 21.7522 13.9868 9.18903 16.2919 11.8501 7.46176 10.5239 numMergedOcc 0
100 mol 259 unq 4 iso 0 dist 6.76656 10.908 6.77279 14.2826 7.55268 8.53687 6.96379 5.71237 8.13497 10.582 numMergedOcc 0
101 mol 259 unq 4 iso 1 dist 6.76656 10.908 6.77279 6.96379 5.71237 8.13497 14.2826 7.55268 8.53687 10.582 numMergedOcc 0
102 mol 259 unq 5 iso 0 dist 6.76656 12.7595 9.58006 6.96379 5.71237 7.88519 11.7889 9.10984 7.84554 4.86771 numMergedOcc 0
103 mol 259 unq 5 iso 1 dist 6.76656 12.7595 9.58006 11.7889 9.10984 7.84554 6.96379 5.71237 7.88519 4.86771 numMergedOcc 0
104 mol 259 unq 6 iso 0 dist 6.76656 12.7595 9.58006 6.96379 5.71237 7.88519 11.1532 11.8501 7.46176 6.96053 numMergedOcc 0
105 mol 259 unq 6 iso 1 dist 6.76656 12.7595 9.58006 11.1532 11.8501 7.46176 6.96379 5.71237 7.88519 6.96053 numMergedOcc 0
106 mol 259 unq 7 iso 0 dist 6.76656 12.7595 9.58006 6.96379 5.71237 7.88519 17.4423 13.9868 9.18903 10.4881 numMergedOcc 0
107 mol 259 unq 7 iso 1 dist 6.76656 12.7595 9.58006 17.4423 13.9868 9.18903 6.96379 5.71237 7.88519 10.4881 numMergedOcc 0
108 mol 259 unq 6 iso 0 dist 6.76656 12.7595 9.58006 11.7889 9.10984 7.84554 11.1532 11.8501 7.46176 7.64658 numMergedOcc 0
109 mol 259 unq 6 iso 1 dist 6.76656 12.7595 9.58006 11.1532 11.8501 7.46176 11.7889 9.10984 7.84554 7.64658 numMergedOcc 0
110 mol 259 unq 7 iso 0 dist 6.76656 12.7595 9.58006 11.7889 9.10984 7.84554 17.4423 13.9868 9.18903 5.87173 numMergedOcc 0
111 mol 259 unq 7 iso 1 dist 6.76656 12.7595 9.58006 17.4423 13.9868 9.18903 11.7889 9.10984 7.84554 5.87173 numMergedOcc 0
112 mol 259 unq 7 iso 0 dist 6.76656 12.7595 9.58006 11.1532 11.8501 7.46176 17.4423 13.9868 9.18903 10.5239 numMergedOcc 0
113 mol 259 unq 7 iso 1 dist 6.76656 12.7595 9.58006 17.4423 13.9868 9.18903 11.1532 11.8501 7.46176 10.5239 numMergedOcc 0
114 mol 282 unq 0 iso 0 dist 7.93511 9.67023 5.67266 14.1723 9.63727 8.04483 6.84554 4.58403 8.76532 10.0156 numMergedOcc 0
115 mol 282 unq 0 iso 1 dist 7.93511 9.67023 5.67266 6.84554 4.58403 8.76532 14.1723 9.63727 8.04483 10.0156 numMergedOcc 0
116 mol 282 unq 1 iso 0 dist 7.93511 9.67023 5.67266 14.1723 9.63727 8.04483 9.51581 5.04235 6.33524 5.39891 numMergedOcc 0
117 mol 282 unq 1 iso 1 dist 7.93511 9.67023 5.67266 9.51581 5.04235 6.33524 14.1723 9.63727 8.04483 5.39891 numMergedOcc 0
118 mol 282 unq 1 iso 0 dist 7.93511 9.67023 5.67266 6.84554 4.58403 8.76532 9.51581 5.04235 6.33524 4.66602 numMergedOcc 0
119 mol 282 unq 1 iso 1 dist 7.93511 9.67023 5.67266 9.51581 5.04235 6.33524 6.84554 4.58403 8.76532 4.66602 numMergedOcc 0
120 mol 282 unq 2 iso 0 dist 5.62497 8.13794 9.63346 8.58671 4.85461 8.04483 14.7737 13.108 8.76532 10.0156 numMergedOcc 0
121 mol 282 unq 2 iso 1 dist 5.62497 8.13794 9.63346 14.7737 13.108 8.76532 8.58671 4.85461 8.04483 10.0156 numMergedOcc 0
122 mol 282 unq 3 iso 0 dist 5.62497 8.13794 9.63346 8.58671 4.85461 8.04483 11.0247 8.85797 6.33524 5.39891 numMergedOcc 0
123 mol 282 unq 3 iso 1 dist 5.62497 8.13794 9.63346 11.0247 8.85797 6.33524 8.58671 4.85461 8.04483 5.39891 numMergedOcc 0
124 mol 282 unq 3 iso 0 dist 5.62497 8.13794 9.63346 14.7737 13.108 8.76532 11.0247 8.85797 6.33524 4.66602 numMergedOcc 0
125 mol 282 unq 3 iso 1 dist 5.62497 8.13794 9.63346 11.0247 8.85797 6.33524 14.7737 13.108 8.76532 4.66602 numMergedOcc 0
