0 mol 19 unq 0 iso 0 dist 8.18518 6.57145 4.54938 14.1404 8.4674 7.67038 10.7917 7.34551 7.20519 10.4091 12.9091 5.80928 6.864 4.51865 7.07775 numMergedOcc 0
1 mol 19 unq 0 iso 1 dist 8.18518 6.57145 4.54938 14.1404 8.4674 7.67038 12.9091 5.80928 6.864 4.51865 10.7917 7.34551 7.20519 10.4091 7.07775 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 8.18518 6.57145 4.54938 6.01189 7.82074 5.03957 10.7917 7.34551 7.20519 12.1187 12.9091 5.80928 6.864 11.0366 7.07775 numMergedOcc 0
3 mol 19 unq 1 iso 1 dist 8.18518 6.57145 4.54938 6.01189 7.82074 5.03957 12.9091 5.80928 6.864 11.0366 10.7917 7.34551 7.20519 12.1187 7.07775 numMergedOcc 0
4 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 17.4408 11.3621 9.25011 17.3965 4.73512 numMergedOcc 0
5 mol 60 unq 0 iso 1 dist 8.8058 12.5818 6.43294 5.09908 8.33063 10.1562 17.4408 11.3621 9.25011 17.3965 17.8366 10.6819 6.65595 16.4714 4.73512 numMergedOcc 0
6 mol 60 unq 1 iso 0 dist 8.8058 12.5818 6.43294 5.09908 8.33063 10.1562 17.8366 10.6819 6.65595 16.4714 12.1949 5.51199 8.52121 13.1051 8.93946 numMergedOcc 0
7 mol 60 unq 1 iso 1 dist 8.8058 12.5818 6.43294 5.09908 8.33063 10.1562 12.1949 5.51199 8.52121 13.1051 17.8366 10.6819 6.65595 16.4714 8.93946 numMergedOcc 0
8 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 12.1949 5.51199 8.52121 13.1051 7.66664 numMergedOcc 0
9 mol 60 unq 1 iso 1 dist 8.8058 12.5818 6.43294 5.09908 8.33063 10.1562 12.1949 5.51199 8.52121 13.1051 17.4408 11.3621 9.25011 17.3965 7.66664 numMergedOcc 0
10 mol 60 unq 2 iso 0 dist 8.8058 12.5818 6.43294 10.0675 8.7531 5.67502 17.8366 10.6819 6.65595 11.1899 17.4408 11.3621 9.25011 12.4656 4.73512 numMergedOcc 0
11 mol 60 unq 2 iso 1 dist 8.8058 12.5818 6.43294 10.0675 8.7531 5.67502 17.4408 11.3621 9.25011 12.4656 17.8366 10.6819 6.65595 11.1899 4.73512 numMergedOcc 0
12 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 12.1949 5.51199 8.52121 11.6311 8.93946 numMergedOcc 0
13 mol 60 unq 3 iso 1 dist 8.8058 12.5818 6.43294 10.0675 8.7531 5.67502 12.1949 5.51199 8.52121 11.6311 17.8366 10.6819 6.65595 11.1899 8.93946 numMergedOcc 0
14 mol 60 unq 3 iso 0 dist 8.8058 12.5818 6.43294 10.0675 8.7531 5.67502 17.4408 11.3621 9.25011 12.4656 12.1949 5.51199 8.52121 11.6311 7.66664 numMergedOcc 0
15 mol 60 unq 3 iso 1 dist 8.8058 12.5818 6.43294 10.0675 8.7531 5.67502 12.1949 5.51199 8.52121 11.6311 17.4408 11.3621 9.25011 12.4656 7.66664 numMergedOcc 0
16 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 15.4777 14.9342 8.70481 20.257 13.3558 numMergedOcc 0
17 mol 73 unq 0 iso 1 dist 5.79954 12.8388 9.96396 14.1415 9.38498 15.7123 15.4777 14.9342 8.70481 20.257 10.4766 5.4148 6.19304 10.2049 13.3558 numMergedOcc 0
18 mol 73 unq 1 iso 0 dist 5.79954 12.8388 9.96396 9.65653 9.75218 12.016 10.4766 5.4148 6.19304 11.6369 15.4777 14.9342 8.70481 10.1207 13.3558 numMergedOcc 0
19 mol 73 unq 1 iso 1 dist 5.79954 12.8388 9.96396 9.65653 9.75218 12.016 15.4777 14.9342 8.70481 10.1207 10.4766 5.4148 6.19304 11.6369 13.3558 numMergedOcc 0
20 mol 73 unq 2 iso 0 dist 7.01889 15.0744 9.96396 7.9573 9.38498 15.7123 10.997 5.4148 6.19304 10.2049 17.1639 14.9342 8.70481 20.257 13.3558 numMergedOcc 0
21 mol 73 unq 2 iso 1 dist 7.01889 15.0744 9.96396 7.9573 9.38498 15.7123 17.1639 14.9342 8.70481 20.257 10.997 5.4148 6.19304 10.2049 13.3558 numMergedOcc 0
22 mol 73 unq 3 iso 0 dist 7.01889 15.0744 9.96396 8.11922 9.75218 12.016 10.997 5.4148 6.19304 11.6369 17.1639 14.9342 8.70481 10.1207 13.3558 numMergedOcc 0
23 mol 73 unq 3 iso 1 dist 7.01889 15.0744 9.96396 8.11922 9.75218 12.016 17.1639 14.9342 8.70481 10.1207 10.997 5.4148 6.19304 11.6369 13.3558 numMergedOcc 0
24 mol 85 unq 0 iso 0 dist 9.22376 3.85308 7.66905 5.75796 7.47541 5.42586 11.7729 10.7229 7.95579 11.3023 9.8682 6.9948 6.19965 7.97049 4.26409 numMergedOcc 0
25 mol 85 unq 0 iso 1 dist 9.22376 3.85308 7.66905 5.75796 7.47541 5.42586 9.8682 6.9948 6.19965 7.97049 11.7729 10.7229 7.95579 11.3023 4.26409 numMergedOcc 0
26 mol 85 unq 1 iso 0 dist 9.22376 3.85308 7.66905 9.77828 5.73196 10.1164 11.7729 10.7229 7.95579 15.309 9.8682 6.9948 6.19965 11.2656 4.26409 numMergedOcc 0
27 mol 85 unq 1 iso 1 dist 9.22376 3.85308 7.66905 9.77828 5.73196 10.1164 9.8682 6.9948 6.19965 11.2656 11.7729 10.7229 7.95579 15.309 4.26409 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 15.9184 13.8105 8.83255 16.9811 6.59319 numMergedOcc 0
29 mol 95 unq 0 iso 1 dist 9.40559 11.8978 8.03644 13.018 7.27724 8.41707 15.9184 13.8105 8.83255 16.9811 18.3849 16.6055 9.03572 16.9836 6.59319 numMergedOcc 0
30 mol 115 unq 0 iso 0 dist 9.56867 7.64822 7.88312 9.97256 6.11741 7.69052 7.44784 11.5723 7.30858 13.8473 12.7842 8.02349 5.83991 9.33865 10.8507 numMergedOcc 0
31 mol 115 unq 0 iso 1 dist 9.56867 7.64822 7.88312 9.97256 6.11741 7.69052 12.7842 8.02349 5.83991 9.33865 7.44784 11.5723 7.30858 13.8473 10.8507 numMergedOcc 0
32 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 10.7939 7.6656 9.52634 13.4163 6.69554 numMergedOcc 0
33 mol 133 unq 0 iso 1 dist 7.15203 5.38237 7.24514 9.71227 8.22656 6.65743 10.7939 7.6656 9.52634 13.4163 12.6562 6.761 9.91388 10.0372 6.69554 numMergedOcc 0
34 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 7.97208 5.00817 6.49416 12.5075 8.80819 numMergedOcc 0
35 mol 134 unq 0 iso 1 dist 5.67862 9.52819 6.37586 12.4156 9.71307 6.81259 7.97208 5.00817 6.49416 12.5075 10.738 5.49782 8.94367 9.86662 8.80819 numMergedOcc 0
36 mol 134 unq 1 iso 0 dist 7.97208 9.52819 6.49416 12.5576 6.54501 5.00526 10.738 8.80819 8.94367 11.9139 5.67862 5.00817 6.37586 9.5126 5.49782 numMergedOcc 0
37 mol 134 unq 1 iso 1 dist 7.97208 9.52819 6.49416 12.5576 6.54501 5.00526 5.67862 5.00817 6.37586 9.5126 10.738 8.80819 8.94367 11.9139 5.49782 numMergedOcc 0
38 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 9.45659 5.35493 6.57069 10.2623 8.16421 numMergedOcc 0
39 mol 175 unq 0 iso 1 dist 6.73365 5.73338 5.6234 12.753 9.92231 7.42466 9.45659 5.35493 6.57069 10.2623 12.3723 6.2715 9.0018 7.652 8.16421 numMergedOcc 0
40 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 13.9315 14.9058 9.70748 18.6929 13.8792 numMergedOcc 0
41 mol 186 unq 0 iso 1 dist 6.86297 8.03427 8.87694 7.56632 9.09754 9.50685 13.9315 14.9058 9.70748 18.6929 10.7452 5.74635 7.54065 10.7914 13.8792 numMergedOcc 0
42 mol 236 unq 0 iso 0 dist 6.73134 5.27568 8.35971 5.52669 8.04248 7.43758 12.96 14.2337 8.03456 15.1853 10.8312 14.7998 6.84306 13.5269 5.79505 numMergedOcc 0
43 mol 236 unq 0 iso 1 dist 6.73134 5.27568 8.35971 5.52669 8.04248 7.43758 10.8312 14.7998 6.84306 13.5269 12.96 14.2337 8.03456 15.1853 5.79505 numMergedOcc 0
44 mol 236 unq 1 iso 0 dist 6.73134 5.27568 8.35971 5.52669 8.04248 7.43758 12.96 14.2337 8.03456 15.1853 11.2195 10.7497 9.99038 15.7308 9.90963 numMergedOcc 0
45 mol 236 unq 1 iso 1 dist 6.73134 5.27568 8.35971 5.52669 8.04248 7.43758 11.2195 10.7497 9.99038 15.7308 12.96 14.2337 8.03456 15.1853 9.90963 numMergedOcc 0
46 mol 236 unq 2 iso 0 dist 6.73134 5.27568 8.35971 5.52669 8.04248 7.43758 12.96 14.2337 8.03456 15.1853 14.0541 12.0369 9.78037 14.9122 6.96005 numMergedOcc 0
47 mol 236 unq 2 iso 1 dist 6.73134 5.27568 8.35971 5.52669 8.04248 7.43758 14.0541 12.0369 9.78037 14.9122 12.96 14.2337 8.03456 15.1853 6.96005 numMergedOcc 0
48 mol 236 unq 1 iso 0 dist 6.73134 5.27568 8.35971 5.52669 8.04248 7.43758 10.8312 14.7998 6.84306 13.5269 11.2195 10.7497 9.99038 15.7308 11.3368 numMergedOcc 0
49 mol 236 unq 1 iso 1 dist 6.73134 5.27568 8.35971 5.52669 8.04248 7.43758 11.2195 10.7497 9.99038 15.7308 10.8312 14.7998 6.84306 13.5269 11.3368 numMergedOcc 0
50 mol 236 unq 2 iso 0 dist 6.73134 5.27568 8.35971 5.52669 8.04248 7.43758 10.8312 14.7998 6.84306 13.5269 14.0541 12.0369 9.78037 14.9122 11.8739 numMergedOcc 0
51 mol 236 unq 2 iso 1 dist 6.73134 5.27568 8.35971 5.52669 8.04248 7.43758 14.0541 12.0369 9.78037 14.9122 10.8312 14.7998 6.84306 13.5269 11.8739 numMergedOcc 0
52 mol 236 unq 2 iso 0 dist 6.73134 5.27568 8.35971 5.52669 8.04248 7.43758 11.2195 10.7497 9.99038 15.7308 14.0541 12.0369 9.78037 14.9122 11.1557 numMergedOcc 0
53 mol 236 unq 2 iso 1 dist 6.73134 5.27568 8.35971 5.52669 8.04248 7.43758 14.0541 12.0369 9.78037 14.9122 11.2195 10.7497 9.99038 15.7308 11.1557 numMergedOcc 0
54 mol 259 unq 0 iso 0 dist 6.96379 12.7595 7.88519 10.908 8.13497 4.69778 11.7889 4.86771 7.84554 9.95973 11.1532 6.96053 7.46176 10.3935 7.64658 numMergedOcc 0
55 mol 259 unq 0 iso 1 dist 6.96379 12.7595 7.88519 10.908 8.13497 4.69778 11.1532 6.96053 7.46176 10.3935 11.7889 4.86771 7.84554 9.95973 7.64658 numMergedOcc 0
56 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 17.4423 10.4881 9.18903 12.6839 5.87173 numMergedOcc 0
57 mol 259 unq 1 iso 1 dist 6.96379 12.7595 7.88519 10.908 8.13497 4.69778 17.4423 10.4881 9.18903 12.6839 11.7889 4.86771 7.84554 9.95973 5.87173 numMergedOcc 0
58 mol 259 unq 1 iso 0 dist 6.96379 12.7595 7.88519 10.908 8.13497 4.69778 11.1532 6.96053 7.46176 10.3935 17.4423 10.4881 9.18903 12.6839 10.5239 numMergedOcc 0
59 mol 259 unq 1 iso 1 dist 6.96379 12.7595 7.88519 10.908 8.13497 4.69778 17.4423 10.4881 9.18903 12.6839 11.1532 6.96053 7.46176 10.3935 10.5239 numMergedOcc 0
