0 mol 7 unq 0 iso 0 dist 8.0166 9.32945 5.63739 5.85668 6.0323 10.2084 12.4974 5.96526 9.68824 8.05125 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.0166 9.90117 10.2796 5.85668 6.0323 12.9667 12.4974 5.96526 14.258 8.05125 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 5.39171 9.27355 5.47475 12.6081 7.53504 8.66342 13.1329 7.92924 5.4653 5.68894 numMergedOcc 0
3 mol 73 unq 1 iso 0 dist 5.39171 9.27355 5.47475 12.6081 7.53504 8.66342 12.702 8.30433 4.63063 7.32265 numMergedOcc 0
4 mol 73 unq 2 iso 0 dist 5.39171 8.60363 5.05066 12.6081 7.53504 7.21285 13.1329 7.92924 7.09483 5.68894 numMergedOcc 0
5 mol 73 unq 3 iso 0 dist 5.39171 8.60363 5.05066 12.6081 7.53504 7.21285 12.702 8.30433 4.68175 7.32265 numMergedOcc 0
6 mol 73 unq 4 iso 0 dist 9.27355 5.39171 5.47475 16.1129 7.02351 12.1654 13.1329 5.4653 7.92924 6.7939 numMergedOcc 0
7 mol 73 unq 5 iso 0 dist 9.27355 5.39171 5.47475 16.1129 7.02351 12.1654 12.702 4.63063 8.30433 6.85356 numMergedOcc 0
8 mol 73 unq 6 iso 0 dist 9.27355 5.39171 5.47475 12.6081 8.66342 7.53504 13.1329 5.4653 7.92924 5.68894 numMergedOcc 0
9 mol 73 unq 7 iso 0 dist 9.27355 5.39171 5.47475 12.6081 8.66342 7.53504 12.702 4.63063 8.30433 7.32265 numMergedOcc 0
10 mol 73 unq 8 iso 0 dist 9.27355 8.60363 4.4628 16.1129 7.02351 10.4593 13.1329 5.4653 7.09483 6.7939 numMergedOcc 0
11 mol 73 unq 9 iso 0 dist 9.27355 8.60363 4.4628 16.1129 7.02351 10.4593 12.702 4.63063 4.68175 6.85356 numMergedOcc 0
12 mol 73 unq 10 iso 0 dist 9.27355 8.60363 4.4628 12.6081 8.66342 7.21285 13.1329 5.4653 7.09483 5.68894 numMergedOcc 0
13 mol 73 unq 11 iso 0 dist 9.27355 8.60363 4.4628 12.6081 8.66342 7.21285 12.702 4.63063 4.68175 7.32265 numMergedOcc 0
14 mol 73 unq 12 iso 0 dist 8.60363 5.39171 5.05066 12.6081 7.21285 7.53504 13.1329 7.09483 7.92924 5.68894 numMergedOcc 0
15 mol 73 unq 13 iso 0 dist 8.60363 5.39171 5.05066 12.6081 7.21285 7.53504 12.702 4.68175 8.30433 7.32265 numMergedOcc 0
16 mol 73 unq 14 iso 0 dist 8.60363 9.27355 4.4628 12.6081 7.21285 8.66342 13.1329 7.09483 5.4653 5.68894 numMergedOcc 0
17 mol 73 unq 15 iso 0 dist 8.60363 9.27355 4.4628 12.6081 7.21285 8.66342 12.702 4.68175 4.63063 7.32265 numMergedOcc 0
18 mol 114 unq 0 iso 0 dist 5.31281 8.9922 5.67339 7.22809 8.592 14.0354 9.45174 5.53478 8.9898 8.75093 numMergedOcc 0
19 mol 134 unq 0 iso 0 dist 7.85526 5.33543 5.63574 5.57607 7.94564 9.21999 9.88178 6.01484 10.6104 6.00896 numMergedOcc 0
20 mol 134 unq 1 iso 0 dist 5.33543 7.85526 5.63574 5.57607 9.21999 7.94564 9.88178 10.6104 6.01484 6.00896 numMergedOcc 0
21 mol 184 unq 0 iso 0 dist 9.45847 7.895 17.2664 12.9481 5.13722 20.2475 18 8.78766 25.8895 8.49577 numMergedOcc 0
22 mol 205 unq 0 iso 0 dist 9.89311 7.71155 6.26321 13.8587 8.21112 13.8569 14.9475 8.82544 14.5765 6.02053 numMergedOcc 0
23 mol 205 unq 1 iso 0 dist 9.89311 7.71155 6.26321 9.6353 7.06533 11.3296 14.9475 8.82544 14.5765 7.41663 numMergedOcc 0
24 mol 205 unq 2 iso 0 dist 9.89311 7.71155 6.26321 11.7852 5.94835 6.76947 13.3095 5.16703 6.81258 7.09439 numMergedOcc 0
25 mol 205 unq 3 iso 0 dist 7.71155 9.89311 6.26321 11.7852 6.76947 5.94835 13.3095 6.81258 5.16703 7.09439 numMergedOcc 0
26 mol 211 unq 0 iso 0 dist 9.8921 8.50841 8.59334 16.4954 9.45365 10.7444 17.2726 13.6185 8.86727 8.66183 numMergedOcc 0
27 mol 220 unq 0 iso 0 dist 7.57712 7.20255 5.88344 6.40358 4.3362 5.51565 10.8839 5.7733 4.4922 6.89587 numMergedOcc 0
28 mol 220 unq 1 iso 0 dist 7.20255 7.57712 5.88344 6.40358 5.51565 4.3362 10.8839 4.4922 5.7733 6.89587 numMergedOcc 0
29 mol 220 unq 2 iso 0 dist 7.20255 7.57712 5.88344 7.36665 9.74776 10.181 8.6368 8.70221 13.4455 9.984 numMergedOcc 0
30 mol 223 unq 0 iso 0 dist 9.29204 9.14789 4.44825 4.68566 9.86372 7.70946 6.97426 4.73988 4.78255 7.96628 numMergedOcc 0
31 mol 223 unq 1 iso 0 dist 9.29204 9.14789 4.44825 4.68566 9.86372 7.70946 8.87456 8.36102 5.43913 7.76053 numMergedOcc 0
32 mol 223 unq 2 iso 0 dist 9.29204 7.80764 16.0208 4.68566 9.86372 11.3699 6.97426 4.73988 12.6805 7.96628 numMergedOcc 0
33 mol 223 unq 3 iso 0 dist 9.29204 7.80764 16.0208 4.68566 9.86372 11.3699 8.87456 8.36102 13.9763 7.76053 numMergedOcc 0
34 mol 223 unq 4 iso 0 dist 9.29204 5.75896 11.898 4.68566 9.86372 10.1945 6.97426 4.73988 10.6184 7.96628 numMergedOcc 0
35 mol 223 unq 5 iso 0 dist 9.29204 5.75896 11.898 4.68566 9.86372 10.1945 8.87456 8.36102 13.8469 7.76053 numMergedOcc 0
36 mol 223 unq 6 iso 0 dist 9.14789 9.29204 4.44825 4.68566 7.70946 9.86372 6.97426 4.78255 4.73988 7.96628 numMergedOcc 0
37 mol 223 unq 7 iso 0 dist 9.14789 9.29204 4.44825 4.68566 7.70946 9.86372 8.87456 5.43913 8.36102 7.76053 numMergedOcc 0
38 mol 223 unq 8 iso 0 dist 9.14789 7.80764 16.2327 4.68566 7.70946 11.3699 6.97426 4.78255 12.6805 7.96628 numMergedOcc 0
39 mol 223 unq 9 iso 0 dist 9.14789 7.80764 16.2327 4.68566 7.70946 11.3699 8.87456 5.43913 13.9763 7.76053 numMergedOcc 0
40 mol 223 unq 10 iso 0 dist 9.14789 5.75896 13.5741 4.68566 7.70946 10.1945 6.97426 4.78255 10.6184 7.96628 numMergedOcc 0
41 mol 223 unq 11 iso 0 dist 9.14789 5.75896 13.5741 4.68566 7.70946 10.1945 8.87456 5.43913 13.8469 7.76053 numMergedOcc 0
42 mol 224 unq 0 iso 0 dist 9.37276 5.97988 8.07582 5.07348 8.62228 9.14793 8.81063 4.19878 10.0093 7.53412 numMergedOcc 0
43 mol 224 unq 1 iso 0 dist 6.6537 9.08719 11.6002 9.80029 7.46044 17.2648 9.7994 4.49347 14.9838 5.07376 numMergedOcc 0
44 mol 249 unq 0 iso 0 dist 7.58833 9.04715 7.46941 6.13333 6.04688 9.50034 3.67935 4.88298 5.75331 5.70674 numMergedOcc 0
45 mol 258 unq 0 iso 0 dist 7.70189 6.08181 9.86352 5.79358 6.59521 10.9114 8.10903 5.27718 10.8957 8.73425 numMergedOcc 0
46 mol 258 unq 1 iso 0 dist 7.70189 6.08181 9.86352 5.79358 6.59521 10.9114 7.25618 9.46467 11.0025 9.65711 numMergedOcc 0
