0 mol 7 unq 0 iso 0 dist 7.11539 8.50044 14.3765 15.5773 9.97624 20.661 6.44558 6.14469 10.0629 13.0969 numMergedOcc 0
1 mol 12 unq 0 iso 0 dist 9.52857 6.6691 13.5371 14.8356 6.96422 19.7221 10.1802 5.76024 15.9459 5.4274 numMergedOcc 0
2 mol 12 unq 1 iso 0 dist 9.52857 6.6691 13.5371 14.8356 6.96422 19.7221 11.8349 7.92714 17.9512 8.06296 numMergedOcc 0
3 mol 12 unq 2 iso 0 dist 9.52857 6.6691 13.5371 14.8356 6.96422 19.7221 13.1322 8.47217 17.0976 6.65972 numMergedOcc 0
4 mol 12 unq 3 iso 0 dist 9.52857 9.23807 13.0686 14.8356 6.96422 19.2771 10.1802 5.76024 16.5186 5.4274 numMergedOcc 0
5 mol 12 unq 4 iso 0 dist 9.52857 9.23807 13.0686 14.8356 6.96422 19.2771 11.8349 7.92714 19.0855 8.06296 numMergedOcc 0
6 mol 12 unq 5 iso 0 dist 9.52857 9.23807 13.0686 14.8356 6.96422 19.2771 13.1322 8.47217 16.4151 6.65972 numMergedOcc 0
7 mol 17 unq 0 iso 0 dist 7.8304 5.74567 7.31113 9.90289 7.82406 9.877 4.47542 7.25951 7.92012 6.31299 numMergedOcc 0
8 mol 17 unq 1 iso 0 dist 5.74567 7.8304 7.31113 9.90289 9.877 7.82406 4.47542 7.92012 7.25951 6.31299 numMergedOcc 0
9 mol 79 unq 0 iso 0 dist 9.76351 5.72627 7.7277 14.7309 9.63599 15.9914 16.5814 9.78384 16.7587 6.49291 numMergedOcc 0
10 mol 79 unq 1 iso 0 dist 9.76351 5.72627 7.7277 14.7309 9.63599 15.9914 4.39227 8.87742 8.03296 11.51 numMergedOcc 0
11 mol 79 unq 2 iso 0 dist 9.76351 5.72627 7.7277 14.7309 9.63599 15.9914 8.32896 4.93468 9.26979 7.82761 numMergedOcc 0
12 mol 79 unq 3 iso 0 dist 9.76351 5.72627 7.7277 11.7335 8.01743 12.5384 16.5814 9.78384 16.7587 6.4154 numMergedOcc 0
13 mol 79 unq 4 iso 0 dist 9.76351 5.72627 7.7277 11.7335 8.01743 12.5384 4.39227 8.87742 8.03296 11.4135 numMergedOcc 0
14 mol 79 unq 5 iso 0 dist 9.76351 5.72627 7.7277 11.7335 8.01743 12.5384 8.32896 4.93468 9.26979 4.58851 numMergedOcc 0
15 mol 79 unq 6 iso 0 dist 9.76351 7.68741 7.2005 14.7309 9.63599 12.6003 16.5814 9.78384 15.6918 6.49291 numMergedOcc 0
16 mol 79 unq 7 iso 0 dist 9.76351 7.68741 7.2005 14.7309 9.63599 12.6003 4.39227 8.87742 5.82754 11.51 numMergedOcc 0
17 mol 79 unq 8 iso 0 dist 9.76351 7.68741 7.2005 14.7309 9.63599 12.6003 8.32896 4.93468 9.05679 7.82761 numMergedOcc 0
18 mol 79 unq 9 iso 0 dist 9.76351 7.68741 7.2005 11.7335 8.01743 13.5439 16.5814 9.78384 15.6918 6.4154 numMergedOcc 0
19 mol 79 unq 10 iso 0 dist 9.76351 7.68741 7.2005 11.7335 8.01743 13.5439 4.39227 8.87742 5.82754 11.4135 numMergedOcc 0
20 mol 79 unq 11 iso 0 dist 9.76351 7.68741 7.2005 11.7335 8.01743 13.5439 8.32896 4.93468 9.05679 4.58851 numMergedOcc 0
21 mol 79 unq 12 iso 0 dist 9.76351 9.86085 11.4869 14.7309 9.63599 18.3615 16.5814 9.78384 20.9232 6.49291 numMergedOcc 0
22 mol 79 unq 13 iso 0 dist 9.76351 9.86085 11.4869 14.7309 9.63599 18.3615 4.39227 8.87742 10.0459 11.51 numMergedOcc 0
23 mol 79 unq 14 iso 0 dist 9.76351 9.86085 11.4869 14.7309 9.63599 18.3615 8.32896 4.93468 13.9817 7.82761 numMergedOcc 0
24 mol 79 unq 15 iso 0 dist 9.76351 9.86085 11.4869 11.7335 8.01743 18.1613 16.5814 9.78384 20.9232 6.4154 numMergedOcc 0
25 mol 79 unq 16 iso 0 dist 9.76351 9.86085 11.4869 11.7335 8.01743 18.1613 4.39227 8.87742 10.0459 11.4135 numMergedOcc 0
26 mol 79 unq 17 iso 0 dist 9.76351 9.86085 11.4869 11.7335 8.01743 18.1613 8.32896 4.93468 13.9817 4.58851 numMergedOcc 0
27 mol 128 unq 0 iso 0 dist 9.05678 8.73383 10.8727 5.53962 7.75012 6.98158 7.14818 7.48321 10.8772 3.98036 numMergedOcc 0
28 mol 141 unq 0 iso 0 dist 8.81111 5.66405 6.59975 15.0866 7.31037 13.4855 11.3783 6.75376 9.10042 7.64948 numMergedOcc 0
29 mol 156 unq 0 iso 0 dist 8.75305 5.13522 6.12113 12.3219 7.30946 11.3161 5.6621 8.21184 5.9976 8.79853 numMergedOcc 0
30 mol 156 unq 1 iso 0 dist 8.75305 5.13522 6.12113 12.3219 7.30946 11.3161 6.65278 5.41575 6.86566 5.69209 numMergedOcc 0
31 mol 181 unq 0 iso 0 dist 9.2933 8.77781 9.53592 14.0045 5.97685 13.5221 5.10499 7.22883 11.8112 11.2039 numMergedOcc 0
32 mol 181 unq 1 iso 0 dist 9.2933 8.77781 9.53592 17.8726 8.9289 14.5372 5.10499 7.22883 11.8112 15.9559 numMergedOcc 0
33 mol 238 unq 0 iso 0 dist 6.80544 9.49129 6.25098 5.05275 6.62002 8.90076 4.04422 5.92374 10.6756 4.38002 numMergedOcc 0
34 mol 238 unq 1 iso 0 dist 6.80544 9.49129 6.25098 15.0682 9.69818 6.87131 4.04422 5.92374 10.6756 14.6816 numMergedOcc 0
35 mol 238 unq 2 iso 0 dist 6.80544 9.49129 6.25098 13.1727 6.73446 8.09718 4.04422 5.92374 10.6756 11.5793 numMergedOcc 0
36 mol 273 unq 0 iso 0 dist 9.16554 8.83491 9.36595 8.67797 8.68913 10.5134 11.4694 7.16346 14.9622 13.9948 numMergedOcc 0
