0 mol 55 unq 0 iso 0 dist 7.58788 6.63489 5.62629 10.8396 5.20168 8.34632 12.4931 5.55161 7.87739 4.60627 numMergedOcc 0
1 mol 73 unq 0 iso 0 dist 5.39171 12.6081 7.53504 9.27355 5.47475 8.66342 13.1329 7.92924 5.68894 5.4653 numMergedOcc 0
2 mol 73 unq 1 iso 0 dist 5.39171 12.6081 7.53504 9.27355 5.47475 8.66342 12.702 8.30433 7.32265 4.63063 numMergedOcc 0
3 mol 73 unq 2 iso 0 dist 5.39171 12.6081 7.53504 8.60363 5.05066 7.21285 13.1329 7.92924 5.68894 7.09483 numMergedOcc 0
4 mol 73 unq 3 iso 0 dist 5.39171 12.6081 7.53504 8.60363 5.05066 7.21285 12.702 8.30433 7.32265 4.68175 numMergedOcc 0
5 mol 73 unq 4 iso 0 dist 5.39171 12.6081 7.53504 12.4571 9.51715 6.95094 13.1329 7.92924 5.68894 11.341 numMergedOcc 0
6 mol 73 unq 5 iso 0 dist 5.39171 12.6081 7.53504 12.4571 9.51715 6.95094 12.702 8.30433 7.32265 10.0459 numMergedOcc 0
7 mol 73 unq 6 iso 0 dist 9.27355 12.6081 8.66342 5.39171 5.47475 7.53504 13.1329 5.4653 5.68894 7.92924 numMergedOcc 0
8 mol 73 unq 7 iso 0 dist 9.27355 12.6081 8.66342 5.39171 5.47475 7.53504 12.702 4.63063 7.32265 8.30433 numMergedOcc 0
9 mol 73 unq 8 iso 0 dist 9.27355 12.6081 8.66342 8.60363 4.4628 7.21285 13.1329 5.4653 5.68894 7.09483 numMergedOcc 0
10 mol 73 unq 9 iso 0 dist 9.27355 12.6081 8.66342 8.60363 4.4628 7.21285 12.702 4.63063 7.32265 4.68175 numMergedOcc 0
11 mol 73 unq 10 iso 0 dist 9.27355 12.6081 8.66342 12.4571 11.6754 6.95094 13.1329 5.4653 5.68894 11.341 numMergedOcc 0
12 mol 73 unq 11 iso 0 dist 9.27355 12.6081 8.66342 12.4571 11.6754 6.95094 12.702 4.63063 7.32265 10.0459 numMergedOcc 0
13 mol 73 unq 12 iso 0 dist 8.60363 12.6081 7.21285 5.39171 5.05066 7.53504 13.1329 7.09483 5.68894 7.92924 numMergedOcc 0
14 mol 73 unq 13 iso 0 dist 8.60363 12.6081 7.21285 5.39171 5.05066 7.53504 12.702 4.68175 7.32265 8.30433 numMergedOcc 0
15 mol 73 unq 14 iso 0 dist 8.60363 12.6081 7.21285 9.27355 4.4628 8.66342 13.1329 7.09483 5.68894 5.4653 numMergedOcc 0
16 mol 73 unq 15 iso 0 dist 8.60363 12.6081 7.21285 9.27355 4.4628 8.66342 12.702 4.68175 7.32265 4.63063 numMergedOcc 0
17 mol 73 unq 16 iso 0 dist 8.60363 12.6081 7.21285 12.4571 7.64038 6.95094 13.1329 7.09483 5.68894 11.341 numMergedOcc 0
18 mol 73 unq 17 iso 0 dist 8.60363 12.6081 7.21285 12.4571 7.64038 6.95094 12.702 4.68175 7.32265 10.0459 numMergedOcc 0
19 mol 73 unq 18 iso 0 dist 9.27331 14.1204 7.21285 14.0106 5.05066 7.53504 11.8571 7.09483 5.68894 7.92924 numMergedOcc 0
20 mol 73 unq 19 iso 0 dist 9.27331 14.1204 7.21285 14.0106 5.05066 7.53504 7.45777 4.68175 7.32265 8.30433 numMergedOcc 0
21 mol 73 unq 20 iso 0 dist 9.27331 14.1204 7.21285 10.0291 4.4628 8.66342 11.8571 7.09483 5.68894 5.4653 numMergedOcc 0
22 mol 73 unq 21 iso 0 dist 9.27331 14.1204 7.21285 10.0291 4.4628 8.66342 7.45777 4.68175 7.32265 4.63063 numMergedOcc 0
23 mol 73 unq 22 iso 0 dist 9.27331 14.1204 7.21285 13.8777 7.64038 6.95094 11.8571 7.09483 5.68894 11.341 numMergedOcc 0
24 mol 73 unq 23 iso 0 dist 9.27331 14.1204 7.21285 13.8777 7.64038 6.95094 7.45777 4.68175 7.32265 10.0459 numMergedOcc 0
25 mol 134 unq 0 iso 0 dist 7.85526 5.57607 7.94564 5.33543 5.63574 9.21999 9.88178 6.01484 6.00896 10.6104 numMergedOcc 0
26 mol 134 unq 1 iso 0 dist 5.33543 5.57607 9.21999 7.85526 5.63574 7.94564 9.88178 10.6104 6.00896 6.01484 numMergedOcc 0
27 mol 152 unq 0 iso 0 dist 7.53834 10.7416 7.21636 12.1625 5.72609 7.99446 18.979 12.5216 9.54774 8.8525 numMergedOcc 0
28 mol 205 unq 0 iso 0 dist 9.89311 11.7852 5.94835 7.71155 6.26321 6.76947 13.3095 5.16703 7.09439 6.81258 numMergedOcc 0
29 mol 205 unq 1 iso 0 dist 7.71155 11.7852 6.76947 9.89311 6.26321 5.94835 13.3095 6.81258 7.09439 5.16703 numMergedOcc 0
30 mol 211 unq 0 iso 0 dist 9.8921 16.4954 9.45365 13.6015 9.23863 7.14732 17.2726 13.6185 8.66183 4.53525 numMergedOcc 0
31 mol 220 unq 0 iso 0 dist 7.57712 6.40358 4.3362 7.20255 5.88344 5.51565 10.8839 5.7733 6.89587 4.4922 numMergedOcc 0
32 mol 220 unq 1 iso 0 dist 7.20255 6.40358 5.51565 7.57712 5.88344 4.3362 10.8839 4.4922 6.89587 5.7733 numMergedOcc 0
33 mol 223 unq 0 iso 0 dist 9.29204 4.68566 9.86372 9.14789 4.44825 7.70946 6.97426 4.73988 7.96628 4.78255 numMergedOcc 0
34 mol 223 unq 1 iso 0 dist 9.29204 4.68566 9.86372 9.14789 4.44825 7.70946 8.87456 8.36102 7.76053 5.43913 numMergedOcc 0
35 mol 223 unq 2 iso 0 dist 9.14789 4.68566 7.70946 9.29204 4.44825 9.86372 6.97426 4.78255 7.96628 4.73988 numMergedOcc 0
36 mol 223 unq 3 iso 0 dist 9.14789 4.68566 7.70946 9.29204 4.44825 9.86372 8.87456 5.43913 7.76053 8.36102 numMergedOcc 0
37 mol 223 unq 4 iso 0 dist 8.78739 5.07822 7.70946 11.4492 4.44825 9.86372 11.322 4.78255 7.96628 4.73988 numMergedOcc 0
38 mol 223 unq 5 iso 0 dist 8.78739 5.07822 7.70946 11.4492 4.44825 9.86372 10.7897 5.43913 7.76053 8.36102 numMergedOcc 0
39 mol 224 unq 0 iso 0 dist 7.47122 6.1168 7.46044 12.14 16.6444 9.92947 7.03925 4.49347 5.07376 12.9085 numMergedOcc 0
40 mol 224 unq 1 iso 0 dist 6.6537 9.80029 7.46044 19.6567 16.6444 9.92947 9.7994 4.49347 5.07376 12.9085 numMergedOcc 0
41 mol 277 unq 0 iso 0 dist 6.23539 13.1 9.42812 14.8085 11.4925 8.83777 11.8319 10.3278 6.40125 6.08499 numMergedOcc 0
42 mol 280 unq 0 iso 0 dist 6.83927 6.12141 9.047 14.1785 11.5166 9.9227 11.6621 14.0927 6.38295 11.4101 numMergedOcc 0
43 mol 280 unq 1 iso 0 dist 7.3304 10.5216 9.9227 12.9293 11.5166 9.047 14.1864 11.4101 6.38295 14.0927 numMergedOcc 0
