0 mol 73 unq 0 iso 0 dist 7.84699 8.40844 5.47475 6.10011 8.04817 9.76331 13.4367 6.89722 7.26679 11.4799 numMergedOcc 0
1 mol 73 unq 1 iso 0 dist 7.84699 8.40844 5.47475 8.124 5.2774 5.44275 13.4367 6.89722 7.26679 6.19304 numMergedOcc 0
2 mol 73 unq 2 iso 0 dist 7.84699 6.99156 5.05066 6.10011 8.04817 10.4402 13.4367 6.89722 10.1503 11.4799 numMergedOcc 0
3 mol 73 unq 3 iso 0 dist 7.84699 6.99156 5.05066 8.124 5.2774 8.0624 13.4367 6.89722 10.1503 6.19304 numMergedOcc 0
4 mol 73 unq 4 iso 0 dist 8.40844 7.84699 5.47475 6.10011 9.76331 8.04817 5.33851 9.68526 11.7436 8.9232 numMergedOcc 0
5 mol 73 unq 5 iso 0 dist 8.40844 7.84699 5.47475 6.10011 9.76331 8.04817 13.4367 7.26679 6.89722 11.4799 numMergedOcc 0
6 mol 73 unq 6 iso 0 dist 8.40844 7.84699 5.47475 6.10011 9.76331 8.04817 15.7164 9.30776 14.4206 16.0453 numMergedOcc 0
7 mol 73 unq 7 iso 0 dist 8.40844 7.84699 5.47475 8.124 5.44275 5.2774 5.33851 9.68526 11.7436 10.2049 numMergedOcc 0
8 mol 73 unq 8 iso 0 dist 8.40844 7.84699 5.47475 8.124 5.44275 5.2774 13.4367 7.26679 6.89722 6.19304 numMergedOcc 0
9 mol 73 unq 9 iso 0 dist 8.40844 7.84699 5.47475 8.124 5.44275 5.2774 15.7164 9.30776 14.4206 11.6369 numMergedOcc 0
10 mol 73 unq 10 iso 0 dist 8.40844 6.99156 4.4628 6.10011 9.76331 10.4402 5.33851 9.68526 9.72442 8.9232 numMergedOcc 0
11 mol 73 unq 11 iso 0 dist 8.40844 6.99156 4.4628 6.10011 9.76331 10.4402 13.4367 7.26679 10.1503 11.4799 numMergedOcc 0
12 mol 73 unq 12 iso 0 dist 8.40844 6.99156 4.4628 6.10011 9.76331 10.4402 15.7164 9.30776 13.2514 16.0453 numMergedOcc 0
13 mol 73 unq 13 iso 0 dist 8.40844 6.99156 4.4628 8.124 5.44275 8.0624 5.33851 9.68526 9.72442 10.2049 numMergedOcc 0
14 mol 73 unq 14 iso 0 dist 8.40844 6.99156 4.4628 8.124 5.44275 8.0624 13.4367 7.26679 10.1503 6.19304 numMergedOcc 0
15 mol 73 unq 15 iso 0 dist 8.40844 6.99156 4.4628 8.124 5.44275 8.0624 15.7164 9.30776 13.2514 11.6369 numMergedOcc 0
16 mol 73 unq 16 iso 0 dist 6.99156 7.84699 5.05066 6.10011 10.4402 8.04817 5.33851 9.72442 11.7436 8.9232 numMergedOcc 0
17 mol 73 unq 17 iso 0 dist 6.99156 7.84699 5.05066 6.10011 10.4402 8.04817 16.0086 9.02288 11.1478 18.5645 numMergedOcc 0
18 mol 73 unq 18 iso 0 dist 6.99156 7.84699 5.05066 8.124 8.0624 5.2774 5.33851 9.72442 11.7436 10.2049 numMergedOcc 0
19 mol 73 unq 19 iso 0 dist 6.99156 7.84699 5.05066 8.124 8.0624 5.2774 16.0086 9.02288 11.1478 14.305 numMergedOcc 0
20 mol 73 unq 20 iso 0 dist 6.99156 8.40844 4.4628 6.10011 10.4402 9.76331 5.33851 9.72442 9.68526 8.9232 numMergedOcc 0
21 mol 73 unq 21 iso 0 dist 6.99156 8.40844 4.4628 6.10011 10.4402 9.76331 16.0086 9.02288 9.75201 18.5645 numMergedOcc 0
22 mol 73 unq 22 iso 0 dist 6.99156 8.40844 4.4628 8.124 8.0624 5.44275 5.33851 9.72442 9.68526 10.2049 numMergedOcc 0
23 mol 73 unq 23 iso 0 dist 6.99156 8.40844 4.4628 8.124 8.0624 5.44275 16.0086 9.02288 9.75201 14.305 numMergedOcc 0
24 mol 101 unq 0 iso 0 dist 5.51185 9.1109 6.8125 9.3485 4.79998 7.53958 9.11989 8.77773 15.3164 12.0459 numMergedOcc 0
25 mol 102 unq 0 iso 0 dist 9.61113 7.59973 7.56811 7.42187 13.5433 8.51668 13.9809 9.01767 9.80678 18.0405 numMergedOcc 0
26 mol 102 unq 1 iso 0 dist 7.59973 9.61113 7.56811 7.42187 8.51668 13.5433 10.3418 9.43411 12.9236 14.4792 numMergedOcc 0
27 mol 102 unq 2 iso 0 dist 7.59973 9.61113 7.56811 7.42187 8.51668 13.5433 13.9809 9.80678 9.01767 18.0405 numMergedOcc 0
28 mol 156 unq 0 iso 0 dist 6.67598 8.98636 5.58471 9.19499 5.0966 8.58765 5.66289 7.30021 12.0043 7.44554 numMergedOcc 0
29 mol 156 unq 1 iso 0 dist 6.67598 8.98636 5.58471 7.11647 5.75141 5.6208 5.66289 7.30021 12.0043 8.94056 numMergedOcc 0
30 mol 156 unq 2 iso 0 dist 6.67598 8.79185 10.7024 9.19499 5.0966 9.07974 5.66289 7.30021 10.0734 7.44554 numMergedOcc 0
31 mol 156 unq 3 iso 0 dist 6.67598 8.79185 10.7024 7.11647 5.75141 5.70205 5.66289 7.30021 10.0734 8.94056 numMergedOcc 0
32 mol 156 unq 4 iso 0 dist 8.79185 6.67598 10.7024 9.19499 9.07974 5.0966 5.59399 6.71202 10.6034 12.0598 numMergedOcc 0
33 mol 156 unq 5 iso 0 dist 8.79185 6.67598 10.7024 7.11647 5.70205 5.75141 5.59399 6.71202 10.6034 7.66148 numMergedOcc 0
34 mol 156 unq 6 iso 0 dist 8.79185 8.98636 10.9842 9.19499 9.07974 8.58765 5.59399 6.71202 10.2601 12.0598 numMergedOcc 0
35 mol 156 unq 7 iso 0 dist 8.79185 8.98636 10.9842 7.11647 5.70205 5.6208 5.59399 6.71202 10.2601 7.66148 numMergedOcc 0
36 mol 224 unq 0 iso 0 dist 4.99301 6.36813 6.35724 9.74059 10.9595 13.311 5.25583 6.56437 6.23882 14.9391 numMergedOcc 0
37 mol 224 unq 1 iso 0 dist 6.36813 4.99301 6.35724 9.74059 13.311 10.9595 5.25583 6.23882 6.56437 14.9391 numMergedOcc 0
38 mol 224 unq 2 iso 0 dist 7.7163 9.2 5.75133 7.07564 5.63485 4.8786 11.8217 9.34636 12.8171 8.95269 numMergedOcc 0
39 mol 224 unq 3 iso 0 dist 7.7163 9.2 5.75133 7.07564 5.63485 4.8786 10.8463 9.79616 11.1052 6.57273 numMergedOcc 0
40 mol 224 unq 4 iso 0 dist 7.7163 9.2 5.75133 9.11052 10.3532 6.38066 11.8217 9.34636 12.8171 14.0676 numMergedOcc 0
41 mol 224 unq 5 iso 0 dist 7.7163 9.2 5.75133 9.11052 10.3532 6.38066 10.8463 9.79616 11.1052 10.5128 numMergedOcc 0
42 mol 224 unq 6 iso 0 dist 9.2 7.7163 5.75133 7.07564 4.8786 5.63485 5.44863 9.29703 10.0081 5.78342 numMergedOcc 0
43 mol 224 unq 7 iso 0 dist 9.2 7.7163 5.75133 9.11052 6.38066 10.3532 5.44863 9.29703 10.0081 5.81334 numMergedOcc 0
44 mol 230 unq 0 iso 0 dist 5.00735 6.73755 5.38279 5.62804 7.07028 5.26217 6.33989 8.43766 10.6474 6.7547 numMergedOcc 0
45 mol 230 unq 1 iso 0 dist 5.00735 6.73755 5.38279 9.3619 11.491 7.46522 6.33989 8.43766 10.6474 11.5044 numMergedOcc 0
46 mol 251 unq 0 iso 0 dist 8.65547 8.20341 5.5032 8.8487 6.91874 6.74706 10.0672 9.82043 14.0785 13.3555 numMergedOcc 0
47 mol 274 unq 0 iso 0 dist 5.68643 8.99974 4.94221 8.78883 4.97216 8.19222 7.48637 9.91395 14.4561 9.10818 numMergedOcc 0
48 mol 274 unq 1 iso 0 dist 5.68643 8.36043 6.01628 8.78883 4.97216 10.2686 7.48637 9.91395 13.4473 9.10818 numMergedOcc 0
49 mol 274 unq 2 iso 0 dist 8.36043 8.99974 7.65517 8.78883 10.2686 8.19222 8.13367 9.81815 14.9703 12.5029 numMergedOcc 0
50 mol 274 unq 3 iso 0 dist 8.36043 5.68643 6.01628 8.78883 10.2686 4.97216 8.13367 9.81815 10.5629 12.5029 numMergedOcc 0
51 mol 274 unq 4 iso 0 dist 5.59151 8.26695 6.07831 5.82876 7.96313 12.0757 7.60191 7.79904 12.3343 10.3851 numMergedOcc 0
52 mol 274 unq 5 iso 0 dist 5.59151 8.26695 6.07831 5.82876 7.96313 12.0757 13.8866 9.02749 13.3926 12.8531 numMergedOcc 0
53 mol 274 unq 6 iso 0 dist 5.59151 8.26695 6.07831 8.71129 13.1879 16.0765 7.60191 7.79904 12.3343 13.6107 numMergedOcc 0
54 mol 274 unq 7 iso 0 dist 5.59151 8.26695 6.07831 8.71129 13.1879 16.0765 13.8866 9.02749 13.3926 18.9617 numMergedOcc 0
55 mol 274 unq 8 iso 0 dist 5.59151 8.17922 12.757 5.82876 7.96313 7.97998 7.60191 7.79904 9.86142 10.3851 numMergedOcc 0
56 mol 274 unq 9 iso 0 dist 5.59151 8.17922 12.757 5.82876 7.96313 7.97998 13.8866 9.02749 18.734 12.8531 numMergedOcc 0
57 mol 274 unq 10 iso 0 dist 5.59151 8.17922 12.757 8.71129 13.1879 5.7745 7.60191 7.79904 9.86142 13.6107 numMergedOcc 0
58 mol 274 unq 11 iso 0 dist 5.59151 8.17922 12.757 8.71129 13.1879 5.7745 13.8866 9.02749 18.734 18.9617 numMergedOcc 0
59 mol 274 unq 12 iso 0 dist 8.17922 8.26695 16.4367 5.82876 7.97998 12.0757 10.374 7.80446 16.9664 11.9707 numMergedOcc 0
60 mol 274 unq 13 iso 0 dist 8.17922 8.26695 16.4367 5.82876 7.97998 12.0757 7.60191 9.86142 12.3343 10.3851 numMergedOcc 0
61 mol 274 unq 14 iso 0 dist 8.17922 8.26695 16.4367 8.71129 5.7745 16.0765 10.374 7.80446 16.9664 13.0885 numMergedOcc 0
62 mol 274 unq 15 iso 0 dist 8.17922 8.26695 16.4367 8.71129 5.7745 16.0765 7.60191 9.86142 12.3343 13.6107 numMergedOcc 0
63 mol 274 unq 16 iso 0 dist 8.17922 5.59151 12.757 5.82876 7.97998 7.96313 10.374 7.80446 12.4776 11.9707 numMergedOcc 0
64 mol 274 unq 17 iso 0 dist 8.17922 5.59151 12.757 5.82876 7.97998 7.96313 7.60191 9.86142 7.79904 10.3851 numMergedOcc 0
65 mol 274 unq 18 iso 0 dist 8.17922 5.59151 12.757 8.71129 5.7745 13.1879 10.374 7.80446 12.4776 13.0885 numMergedOcc 0
66 mol 274 unq 19 iso 0 dist 8.17922 5.59151 12.757 8.71129 5.7745 13.1879 7.60191 9.86142 7.79904 13.6107 numMergedOcc 0
67 mol 277 unq 0 iso 0 dist 9.42812 8.83777 11.4925 7.07459 13.8339 12.7283 10.7202 8.57532 15.5558 16.7427 numMergedOcc 0
68 mol 277 unq 1 iso 0 dist 9.42812 8.83777 11.4925 7.07459 13.8339 12.7283 17.0927 9.02914 19.9278 21.6043 numMergedOcc 0
69 mol 277 unq 2 iso 0 dist 9.42812 8.83777 11.4925 7.07459 13.8339 12.7283 16.2915 6.90434 16.3185 20.2357 numMergedOcc 0
70 mol 280 unq 0 iso 0 dist 9.9227 9.047 11.5166 8.80588 4.95798 14.1091 5.80223 8.85762 13.1827 6.0664 numMergedOcc 0
