0 mol 48 unq 0 iso 0 dist 7.38928 5.35252 5.03338 10.6637 14.2843 9.79657 11.2709 9.68549 6.26827 9.78023 numMergedOcc 0
1 mol 64 unq 0 iso 0 dist 7.8986 8.52643 7.05519 7.59945 10.9115 5.45684 9.75299 8.49962 4.78627 7.66372 numMergedOcc 0
2 mol 64 unq 1 iso 0 dist 7.8986 8.52643 7.05519 13.3239 14.6782 7.76644 9.75299 8.49962 4.78627 9.99743 numMergedOcc 0
3 mol 64 unq 2 iso 0 dist 7.8986 9.75299 8.49962 7.59945 10.9115 7.66372 8.52643 7.05519 4.78627 5.45684 numMergedOcc 0
4 mol 64 unq 3 iso 0 dist 7.8986 9.75299 8.49962 13.3239 14.6782 9.99743 8.52643 7.05519 4.78627 7.76644 numMergedOcc 0
5 mol 64 unq 4 iso 0 dist 7.24183 5.41357 7.05519 5.65551 10.9115 5.45684 9.30042 8.49962 4.78627 7.66372 numMergedOcc 0
6 mol 64 unq 5 iso 0 dist 7.24183 5.41357 7.05519 9.81422 14.6782 7.76644 9.30042 8.49962 4.78627 9.99743 numMergedOcc 0
7 mol 64 unq 6 iso 0 dist 7.24183 9.30042 8.49962 5.65551 10.9115 7.66372 5.41357 7.05519 4.78627 5.45684 numMergedOcc 0
8 mol 64 unq 7 iso 0 dist 7.24183 9.30042 8.49962 9.81422 14.6782 9.99743 5.41357 7.05519 4.78627 7.76644 numMergedOcc 0
9 mol 73 unq 0 iso 0 dist 9.27331 7.45777 4.68175 10.345 10.4593 6.85356 11.8571 7.09483 4.56026 6.7939 numMergedOcc 0
10 mol 73 unq 1 iso 0 dist 9.27331 7.45777 4.68175 14.1204 7.21285 7.32265 11.8571 7.09483 4.56026 5.68894 numMergedOcc 0
11 mol 99 unq 0 iso 0 dist 6.81741 8.68674 4.74328 8.61334 8.23566 4.82346 16.0978 12.5118 9.73996 9.39801 numMergedOcc 0
12 mol 99 unq 1 iso 0 dist 6.81741 8.68674 4.74328 8.61334 8.23566 4.82346 12.3208 6.55763 4.41001 8.89165 numMergedOcc 0
13 mol 99 unq 2 iso 0 dist 6.81741 8.68674 4.74328 12.2155 11.1962 8.07233 16.0978 12.5118 9.73996 6.02154 numMergedOcc 0
14 mol 140 unq 0 iso 0 dist 8.05043 7.60956 4.8476 5.00766 9.74209 6.55217 9.9171 8.53976 5.17212 7.21686 numMergedOcc 0
15 mol 140 unq 1 iso 0 dist 8.05043 9.9171 8.53976 5.00766 9.74209 7.21686 7.60956 4.8476 5.17212 6.55217 numMergedOcc 0
16 mol 162 unq 0 iso 0 dist 8.954 6.59407 7.84996 8.59214 14.4576 7.08934 11.1626 10.1746 4.82565 8.87346 numMergedOcc 0
17 mol 165 unq 0 iso 0 dist 8.2197 7.21397 10.5947 6.27901 14.2061 7.8052 10.206 14.6268 4.94677 8.20329 numMergedOcc 0
18 mol 203 unq 0 iso 0 dist 7.9591 6.84619 4.9404 4.51654 8.8589 5.46529 11.2429 9.33982 5.73409 7.72215 numMergedOcc 0
19 mol 220 unq 0 iso 0 dist 7.57712 5.25149 10.1832 8.17619 15.6379 9.57625 8.6368 13.4455 11.0459 8.08702 numMergedOcc 0
20 mol 220 unq 1 iso 0 dist 7.57712 8.6368 13.4455 8.17619 15.6379 8.08702 5.25149 10.1832 11.0459 9.57625 numMergedOcc 0
21 mol 220 unq 2 iso 0 dist 7.20255 5.25149 9.96224 8.17619 13.5453 9.57625 8.6368 8.70221 11.0459 8.08702 numMergedOcc 0
22 mol 220 unq 3 iso 0 dist 7.20255 8.6368 8.70221 8.17619 13.5453 8.08702 5.25149 9.96224 11.0459 9.57625 numMergedOcc 0
23 mol 223 unq 0 iso 0 dist 9.29204 6.97426 4.73988 4.68566 9.86372 7.96628 8.87456 8.36102 4.71901 7.76053 numMergedOcc 0
24 mol 223 unq 1 iso 0 dist 9.29204 8.87456 8.36102 4.68566 9.86372 7.76053 6.97426 4.73988 4.71901 7.96628 numMergedOcc 0
25 mol 223 unq 2 iso 0 dist 9.14789 6.97426 4.78255 4.68566 7.70946 7.96628 8.87456 5.43913 4.71901 7.76053 numMergedOcc 0
26 mol 223 unq 3 iso 0 dist 9.14789 8.87456 5.43913 4.68566 7.70946 7.76053 6.97426 4.78255 4.71901 7.96628 numMergedOcc 0
27 mol 223 unq 4 iso 0 dist 7.80764 6.97426 12.6805 4.68566 11.3699 7.96628 8.87456 13.9763 4.71901 7.76053 numMergedOcc 0
28 mol 223 unq 5 iso 0 dist 7.80764 8.87456 13.9763 4.68566 11.3699 7.76053 6.97426 12.6805 4.71901 7.96628 numMergedOcc 0
29 mol 223 unq 6 iso 0 dist 5.75896 6.97426 10.6184 4.68566 10.1945 7.96628 8.87456 13.8469 4.71901 7.76053 numMergedOcc 0
30 mol 223 unq 7 iso 0 dist 5.75896 8.87456 13.8469 4.68566 10.1945 7.76053 6.97426 10.6184 4.71901 7.96628 numMergedOcc 0
31 mol 224 unq 0 iso 0 dist 7.58998 6.23677 6.88745 8.8161 14.6984 8.96263 10.0534 11.7904 5.19836 7.35677 numMergedOcc 0
32 mol 224 unq 1 iso 0 dist 8.71944 8.82663 5.45067 11.6942 12.0757 7.35677 10.6574 5.22231 5.19836 8.96263 numMergedOcc 0
33 mol 258 unq 0 iso 0 dist 6.08181 8.10903 10.8957 5.79358 10.9114 8.73425 7.25618 11.0025 5.31174 9.65711 numMergedOcc 0
34 mol 258 unq 1 iso 0 dist 6.08181 7.25618 11.0025 5.79358 10.9114 9.65711 8.10903 10.8957 5.31174 8.73425 numMergedOcc 0
35 mol 258 unq 2 iso 0 dist 7.70189 8.10903 5.27718 5.79358 6.59521 8.73425 7.25618 9.46467 5.31174 9.65711 numMergedOcc 0
36 mol 258 unq 3 iso 0 dist 7.70189 7.25618 9.46467 5.79358 6.59521 9.65711 8.10903 5.27718 5.31174 8.73425 numMergedOcc 0
37 mol 261 unq 0 iso 0 dist 9.70222 4.85199 10.6318 6.40309 13.5235 6.99444 9.25991 15.6784 5.29945 8.25759 numMergedOcc 0
38 mol 261 unq 1 iso 0 dist 9.71882 9.13604 10.6318 5.91745 13.5235 6.99444 12.7905 15.6784 5.29945 8.25759 numMergedOcc 0
39 mol 282 unq 0 iso 0 dist 8.61456 5.00258 9.80233 6.38947 12.7565 6.51248 10.1355 15.1586 5.72971 8.30313 numMergedOcc 0
40 mol 282 unq 1 iso 0 dist 8.41041 8.22117 9.80233 5.98603 12.7565 6.51248 12.5071 15.1586 5.72971 8.30313 numMergedOcc 0
41 mol 287 unq 0 iso 0 dist 8.0935 7.14859 8.13485 14.0575 16.044 8.5458 10.9141 15.9418 8.60638 9.30394 numMergedOcc 0
42 mol 287 unq 1 iso 0 dist 8.0935 7.14859 8.13485 14.0575 16.044 8.5458 10.5378 8.53851 4.9954 8.47385 numMergedOcc 0
43 mol 287 unq 2 iso 0 dist 8.0935 7.14859 8.13485 14.0575 16.044 8.5458 18.5652 17.0029 12.5806 8.44356 numMergedOcc 0
44 mol 287 unq 3 iso 0 dist 8.0935 7.14859 8.13485 10.6005 15.8403 8.56533 10.9141 15.9418 8.60638 5.84467 numMergedOcc 0
45 mol 288 unq 0 iso 0 dist 8.0935 7.14859 8.13485 14.0575 16.044 8.5458 10.9141 15.9418 8.60638 9.30394 numMergedOcc 0
46 mol 288 unq 1 iso 0 dist 8.0935 7.14859 8.13485 14.0575 16.044 8.5458 10.5378 8.53851 4.9954 8.47385 numMergedOcc 0
47 mol 288 unq 2 iso 0 dist 8.0935 7.14859 8.13485 14.0575 16.044 8.5458 18.5652 17.0029 12.5806 8.44356 numMergedOcc 0
48 mol 288 unq 3 iso 0 dist 8.0935 7.14859 8.13485 10.6005 15.8403 8.56533 10.9141 15.9418 8.60638 5.84467 numMergedOcc 0
49 mol 289 unq 0 iso 0 dist 8.0935 7.14859 8.13485 14.0575 16.044 8.5458 10.9141 15.9418 8.60638 9.30394 numMergedOcc 0
50 mol 289 unq 1 iso 0 dist 8.0935 7.14859 8.13485 14.0575 16.044 8.5458 10.5378 8.53851 4.9954 8.47385 numMergedOcc 0
51 mol 289 unq 2 iso 0 dist 8.0935 7.14859 8.13485 14.0575 16.044 8.5458 18.5652 17.0029 12.5806 8.44356 numMergedOcc 0
52 mol 289 unq 3 iso 0 dist 8.0935 7.14859 8.13485 10.6005 15.8403 8.56533 10.9141 15.9418 8.60638 5.84467 numMergedOcc 0
