0 mol 19 unq 0 iso 0 dist 9.3147 7.84393 10.5285 9.01721 13.1233 7.82074 14.9301 13.5255 10.3915 8.4674 10.1953 13.4414 5.03957 4.54938 7.67038 numMergedOcc 0
1 mol 19 unq 0 iso 1 dist 9.3147 7.84393 10.5285 9.01721 13.1233 7.82074 10.1953 13.4414 5.03957 4.54938 14.9301 13.5255 10.3915 8.4674 7.67038 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 9.79426 7.84393 9.84922 9.01721 13.8602 7.82074 14.9301 19.6876 10.3915 8.4674 10.1953 12.4435 5.03957 4.54938 7.67038 numMergedOcc 0
3 mol 19 unq 1 iso 1 dist 9.79426 7.84393 9.84922 9.01721 13.8602 7.82074 10.1953 12.4435 5.03957 4.54938 14.9301 19.6876 10.3915 8.4674 7.67038 numMergedOcc 0
4 mol 60 unq 0 iso 0 dist 9.54864 8.8058 6.0993 12.5818 11.8302 6.43294 17.8366 14.0434 10.6819 6.65595 17.4408 12.7263 11.3621 9.25011 4.73512 numMergedOcc 0
5 mol 60 unq 0 iso 1 dist 9.54864 8.8058 6.0993 12.5818 11.8302 6.43294 17.4408 12.7263 11.3621 9.25011 17.8366 14.0434 10.6819 6.65595 4.73512 numMergedOcc 0
6 mol 60 unq 1 iso 0 dist 9.54864 8.8058 6.0993 12.5818 11.8302 6.43294 17.8366 14.0434 10.6819 6.65595 12.1949 5.29535 5.51199 8.52121 8.93946 numMergedOcc 0
7 mol 60 unq 1 iso 1 dist 9.54864 8.8058 6.0993 12.5818 11.8302 6.43294 12.1949 5.29535 5.51199 8.52121 17.8366 14.0434 10.6819 6.65595 8.93946 numMergedOcc 0
8 mol 60 unq 1 iso 0 dist 9.54864 8.8058 6.0993 12.5818 11.8302 6.43294 17.4408 12.7263 11.3621 9.25011 12.1949 5.29535 5.51199 8.52121 7.66664 numMergedOcc 0
9 mol 60 unq 1 iso 1 dist 9.54864 8.8058 6.0993 12.5818 11.8302 6.43294 12.1949 5.29535 5.51199 8.52121 17.4408 12.7263 11.3621 9.25011 7.66664 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 5.39171 6.30194 5.2774 10.5627 6.89722 6.19304 10.392 10.4716 5.4148 9.96396 18.5427 13.9156 13.3558 8.70481 14.9342 numMergedOcc 0
11 mol 73 unq 0 iso 1 dist 5.39171 6.30194 5.2774 10.5627 6.89722 6.19304 18.5427 13.9156 13.3558 8.70481 10.392 10.4716 5.4148 9.96396 14.9342 numMergedOcc 0
12 mol 73 unq 1 iso 0 dist 9.27355 6.30194 5.44275 10.5627 7.26679 6.19304 10.392 8.31041 5.4148 9.96396 18.5427 11.2674 13.3558 8.70481 14.9342 numMergedOcc 0
13 mol 73 unq 1 iso 1 dist 9.27355 6.30194 5.44275 10.5627 7.26679 6.19304 18.5427 11.2674 13.3558 8.70481 10.392 8.31041 5.4148 9.96396 14.9342 numMergedOcc 0
14 mol 73 unq 2 iso 0 dist 8.60363 6.30194 8.0624 10.5627 10.1503 6.19304 10.392 11.7069 5.4148 9.96396 18.5427 14.5102 13.3558 8.70481 14.9342 numMergedOcc 0
15 mol 73 unq 2 iso 1 dist 8.60363 6.30194 8.0624 10.5627 10.1503 6.19304 18.5427 14.5102 13.3558 8.70481 10.392 11.7069 5.4148 9.96396 14.9342 numMergedOcc 0
16 mol 75 unq 0 iso 0 dist 7.89636 7.118 6.33557 5.06305 10.6919 7.79912 8.24814 4.67917 5.64643 8.56639 11.548 11.5212 10.4899 8.59017 7.00674 numMergedOcc 0
17 mol 75 unq 0 iso 1 dist 7.89636 7.118 6.33557 5.06305 10.6919 7.79912 11.548 11.5212 10.4899 8.59017 8.24814 4.67917 5.64643 8.56639 7.00674 numMergedOcc 0
18 mol 75 unq 1 iso 0 dist 7.89636 8.24814 4.67917 5.06305 10.6919 8.56639 7.118 6.33557 5.64643 7.79912 11.548 11.5212 7.00674 8.59017 10.4899 numMergedOcc 0
19 mol 75 unq 1 iso 1 dist 7.89636 8.24814 4.67917 5.06305 10.6919 8.56639 11.548 11.5212 7.00674 8.59017 7.118 6.33557 5.64643 7.79912 10.4899 numMergedOcc 0
20 mol 75 unq 2 iso 0 dist 9.49608 7.118 9.95193 5.06305 11.1009 7.79912 8.24814 5.10798 5.64643 8.56639 11.548 9.33005 10.4899 8.59017 7.00674 numMergedOcc 0
21 mol 75 unq 2 iso 1 dist 9.49608 7.118 9.95193 5.06305 11.1009 7.79912 11.548 9.33005 10.4899 8.59017 8.24814 5.10798 5.64643 8.56639 7.00674 numMergedOcc 0
22 mol 75 unq 3 iso 0 dist 9.49608 8.24814 5.10798 5.06305 11.1009 8.56639 7.118 9.95193 5.64643 7.79912 11.548 9.33005 7.00674 8.59017 10.4899 numMergedOcc 0
23 mol 75 unq 3 iso 1 dist 9.49608 8.24814 5.10798 5.06305 11.1009 8.56639 11.548 9.33005 7.00674 8.59017 7.118 9.95193 5.64643 7.79912 10.4899 numMergedOcc 0
24 mol 100 unq 0 iso 0 dist 6.60356 9.57498 14.3495 6.89762 11.5472 6.45675 10.0165 16.2555 5.33144 7.47343 15.6218 20.1677 9.71151 8.86688 10.1407 numMergedOcc 0
25 mol 100 unq 0 iso 1 dist 6.60356 9.57498 14.3495 6.89762 11.5472 6.45675 15.6218 20.1677 9.71151 8.86688 10.0165 16.2555 5.33144 7.47343 10.1407 numMergedOcc 0
26 mol 175 unq 0 iso 0 dist 8.6609 6.73365 6.15969 5.73338 10.7272 5.6234 12.3723 9.78176 6.2715 9.0018 9.45659 11.0866 5.35493 6.57069 8.16421 numMergedOcc 0
27 mol 175 unq 0 iso 1 dist 8.6609 6.73365 6.15969 5.73338 10.7272 5.6234 9.45659 11.0866 5.35493 6.57069 12.3723 9.78176 6.2715 9.0018 8.16421 numMergedOcc 0
28 mol 175 unq 1 iso 0 dist 8.6609 9.45659 11.0866 5.73338 10.7272 6.57069 12.3723 9.78176 8.16421 9.0018 6.73365 6.15969 5.35493 5.6234 6.2715 numMergedOcc 0
29 mol 175 unq 1 iso 1 dist 8.6609 9.45659 11.0866 5.73338 10.7272 6.57069 6.73365 6.15969 5.35493 5.6234 12.3723 9.78176 8.16421 9.0018 6.2715 numMergedOcc 0
30 mol 175 unq 2 iso 0 dist 6.21546 6.73365 5.50014 5.73338 8.69888 5.6234 12.3723 11.5099 6.2715 9.0018 9.45659 7.39186 5.35493 6.57069 8.16421 numMergedOcc 0
31 mol 175 unq 2 iso 1 dist 6.21546 6.73365 5.50014 5.73338 8.69888 5.6234 9.45659 7.39186 5.35493 6.57069 12.3723 11.5099 6.2715 9.0018 8.16421 numMergedOcc 0
32 mol 175 unq 3 iso 0 dist 6.21546 9.45659 7.39186 5.73338 8.69888 6.57069 12.3723 11.5099 8.16421 9.0018 6.73365 5.50014 5.35493 5.6234 6.2715 numMergedOcc 0
33 mol 175 unq 3 iso 1 dist 6.21546 9.45659 7.39186 5.73338 8.69888 6.57069 6.73365 5.50014 5.35493 5.6234 12.3723 11.5099 8.16421 9.0018 6.2715 numMergedOcc 0
34 mol 175 unq 4 iso 0 dist 6.03184 6.73365 7.28617 5.73338 5.08206 5.6234 12.3723 12.1783 6.2715 9.0018 9.45659 5.77256 5.35493 6.57069 8.16421 numMergedOcc 0
35 mol 175 unq 4 iso 1 dist 6.03184 6.73365 7.28617 5.73338 5.08206 5.6234 9.45659 5.77256 5.35493 6.57069 12.3723 12.1783 6.2715 9.0018 8.16421 numMergedOcc 0
36 mol 175 unq 5 iso 0 dist 6.03184 9.45659 5.77256 5.73338 5.08206 6.57069 12.3723 12.1783 8.16421 9.0018 6.73365 7.28617 5.35493 5.6234 6.2715 numMergedOcc 0
37 mol 175 unq 5 iso 1 dist 6.03184 9.45659 5.77256 5.73338 5.08206 6.57069 6.73365 7.28617 5.35493 5.6234 12.3723 12.1783 8.16421 9.0018 6.2715 numMergedOcc 0
38 mol 186 unq 0 iso 0 dist 6.43585 6.86297 5.43796 8.03427 12.4816 8.87694 10.7452 11.159 5.74635 7.54065 13.9315 17.0943 14.9058 9.70748 13.8792 numMergedOcc 0
39 mol 186 unq 0 iso 1 dist 6.43585 6.86297 5.43796 8.03427 12.4816 8.87694 13.9315 17.0943 14.9058 9.70748 10.7452 11.159 5.74635 7.54065 13.8792 numMergedOcc 0
40 mol 224 unq 0 iso 0 dist 7.62593 4.79841 5.41021 11.4653 9.33771 8.95269 9.04374 4.91322 4.70378 6.57273 15.1903 12.979 11.5372 5.78342 8.49799 numMergedOcc 0
41 mol 224 unq 0 iso 1 dist 7.62593 4.79841 5.41021 11.4653 9.33771 8.95269 15.1903 12.979 11.5372 5.78342 9.04374 4.91322 4.70378 6.57273 8.49799 numMergedOcc 0
42 mol 236 unq 0 iso 0 dist 9.13126 6.73134 6.0258 5.27568 12.9448 8.35971 12.96 19.8998 14.2337 8.03456 10.8312 19.4534 14.7998 6.84306 5.79505 numMergedOcc 0
43 mol 236 unq 0 iso 1 dist 9.13126 6.73134 6.0258 5.27568 12.9448 8.35971 10.8312 19.4534 14.7998 6.84306 12.96 19.8998 14.2337 8.03456 5.79505 numMergedOcc 0
44 mol 236 unq 1 iso 0 dist 9.13126 6.73134 6.0258 5.27568 12.9448 8.35971 12.96 19.8998 14.2337 8.03456 11.2195 15.6894 10.7497 9.99038 9.90963 numMergedOcc 0
45 mol 236 unq 1 iso 1 dist 9.13126 6.73134 6.0258 5.27568 12.9448 8.35971 11.2195 15.6894 10.7497 9.99038 12.96 19.8998 14.2337 8.03456 9.90963 numMergedOcc 0
46 mol 236 unq 2 iso 0 dist 9.13126 6.73134 6.0258 5.27568 12.9448 8.35971 12.96 19.8998 14.2337 8.03456 14.0541 17.9247 12.0369 9.78037 6.96005 numMergedOcc 0
47 mol 236 unq 2 iso 1 dist 9.13126 6.73134 6.0258 5.27568 12.9448 8.35971 14.0541 17.9247 12.0369 9.78037 12.96 19.8998 14.2337 8.03456 6.96005 numMergedOcc 0
48 mol 236 unq 1 iso 0 dist 9.13126 6.73134 6.0258 5.27568 12.9448 8.35971 10.8312 19.4534 14.7998 6.84306 11.2195 15.6894 10.7497 9.99038 11.3368 numMergedOcc 0
49 mol 236 unq 1 iso 1 dist 9.13126 6.73134 6.0258 5.27568 12.9448 8.35971 11.2195 15.6894 10.7497 9.99038 10.8312 19.4534 14.7998 6.84306 11.3368 numMergedOcc 0
50 mol 236 unq 2 iso 0 dist 9.13126 6.73134 6.0258 5.27568 12.9448 8.35971 10.8312 19.4534 14.7998 6.84306 14.0541 17.9247 12.0369 9.78037 11.8739 numMergedOcc 0
51 mol 236 unq 2 iso 1 dist 9.13126 6.73134 6.0258 5.27568 12.9448 8.35971 14.0541 17.9247 12.0369 9.78037 10.8312 19.4534 14.7998 6.84306 11.8739 numMergedOcc 0
52 mol 236 unq 2 iso 0 dist 9.13126 6.73134 6.0258 5.27568 12.9448 8.35971 11.2195 15.6894 10.7497 9.99038 14.0541 17.9247 12.0369 9.78037 11.1557 numMergedOcc 0
53 mol 236 unq 2 iso 1 dist 9.13126 6.73134 6.0258 5.27568 12.9448 8.35971 14.0541 17.9247 12.0369 9.78037 11.2195 15.6894 10.7497 9.99038 11.1557 numMergedOcc 0
54 mol 248 unq 0 iso 0 dist 8.11968 6.44967 4.53213 9.48478 8.71859 7.69895 11.4848 6.33032 5.55137 7.21521 15.9246 11.762 10.8081 8.2965 5.86196 numMergedOcc 0
55 mol 248 unq 0 iso 1 dist 8.11968 6.44967 4.53213 9.48478 8.71859 7.69895 15.9246 11.762 10.8081 8.2965 11.4848 6.33032 5.55137 7.21521 5.86196 numMergedOcc 0
56 mol 259 unq 0 iso 0 dist 6.76656 6.96379 5.71237 12.7595 9.58006 7.88519 11.7889 9.10984 4.86771 7.84554 11.1532 11.8501 6.96053 7.46176 7.64658 numMergedOcc 0
57 mol 259 unq 0 iso 1 dist 6.76656 6.96379 5.71237 12.7595 9.58006 7.88519 11.1532 11.8501 6.96053 7.46176 11.7889 9.10984 4.86771 7.84554 7.64658 numMergedOcc 0
58 mol 259 unq 1 iso 0 dist 6.76656 6.96379 5.71237 12.7595 9.58006 7.88519 11.7889 9.10984 4.86771 7.84554 17.4423 13.9868 10.4881 9.18903 5.87173 numMergedOcc 0
59 mol 259 unq 1 iso 1 dist 6.76656 6.96379 5.71237 12.7595 9.58006 7.88519 17.4423 13.9868 10.4881 9.18903 11.7889 9.10984 4.86771 7.84554 5.87173 numMergedOcc 0
60 mol 259 unq 1 iso 0 dist 6.76656 6.96379 5.71237 12.7595 9.58006 7.88519 11.1532 11.8501 6.96053 7.46176 17.4423 13.9868 10.4881 9.18903 10.5239 numMergedOcc 0
61 mol 259 unq 1 iso 1 dist 6.76656 6.96379 5.71237 12.7595 9.58006 7.88519 17.4423 13.9868 10.4881 9.18903 11.1532 11.8501 6.96053 7.46176 10.5239 numMergedOcc 0
62 mol 261 unq 0 iso 0 dist 6.41477 7.15785 4.50761 6.5875 10.2386 8.02547 13.1629 12.8629 10.0727 8.43057 9.43169 8.80293 5.51688 6.05727 4.63549 numMergedOcc 0
63 mol 261 unq 0 iso 1 dist 6.41477 7.15785 4.50761 6.5875 10.2386 8.02547 9.43169 8.80293 5.51688 6.05727 13.1629 12.8629 10.0727 8.43057 4.63549 numMergedOcc 0
64 mol 261 unq 1 iso 0 dist 6.41477 9.43169 8.80293 6.5875 10.2386 6.05727 7.15785 4.50761 5.51688 8.02547 13.1629 12.8629 4.63549 8.43057 10.0727 numMergedOcc 0
65 mol 261 unq 1 iso 1 dist 6.41477 9.43169 8.80293 6.5875 10.2386 6.05727 13.1629 12.8629 4.63549 8.43057 7.15785 4.50761 5.51688 8.02547 10.0727 numMergedOcc 0
66 mol 282 unq 0 iso 0 dist 7.93511 6.84554 4.58403 9.67023 5.67266 8.76532 14.1723 9.63727 10.0156 8.04483 9.51581 5.04235 4.66602 6.33524 5.39891 numMergedOcc 0
67 mol 282 unq 0 iso 1 dist 7.93511 6.84554 4.58403 9.67023 5.67266 8.76532 9.51581 5.04235 4.66602 6.33524 14.1723 9.63727 10.0156 8.04483 5.39891 numMergedOcc 0
68 mol 282 unq 1 iso 0 dist 7.93511 9.51581 5.04235 9.67023 5.67266 6.33524 14.1723 9.63727 5.39891 8.04483 6.84554 4.58403 4.66602 8.76532 10.0156 numMergedOcc 0
69 mol 282 unq 1 iso 1 dist 7.93511 9.51581 5.04235 9.67023 5.67266 6.33524 6.84554 4.58403 4.66602 8.76532 14.1723 9.63727 5.39891 8.04483 10.0156 numMergedOcc 0
70 mol 282 unq 2 iso 0 dist 5.62497 8.58671 4.85461 8.13794 9.63346 8.04483 14.7737 13.108 10.0156 8.76532 11.0247 8.85797 5.39891 6.33524 4.66602 numMergedOcc 0
71 mol 282 unq 2 iso 1 dist 5.62497 8.58671 4.85461 8.13794 9.63346 8.04483 11.0247 8.85797 5.39891 6.33524 14.7737 13.108 10.0156 8.76532 4.66602 numMergedOcc 0
