0 mol 0 unq 0 iso 0 dist 5.79741 8.84413 7.74146 8.74302 5.91458 12.5665 6.2737 9.95014 12.1438 13.7735 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 8.0166 9.32945 5.63739 6.22805 5.70161 4.57188 5.85668 6.0323 10.2084 7.15434 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 8.0166 9.90117 10.2796 6.22805 5.70161 6.09254 5.85668 6.0323 12.9667 7.15434 numMergedOcc 0
3 mol 7 unq 2 iso 0 dist 9.32945 8.0166 5.63739 6.22805 4.57188 5.70161 15.279 8.85869 13.8453 12.3221 numMergedOcc 0
4 mol 7 unq 3 iso 0 dist 9.32945 9.90117 5.38328 6.22805 4.57188 6.09254 15.279 8.85869 7.5298 12.3221 numMergedOcc 0
5 mol 7 unq 4 iso 0 dist 9.90117 8.0166 10.2796 6.22805 6.09254 5.70161 15.279 7.5298 13.8453 12.3221 numMergedOcc 0
6 mol 7 unq 5 iso 0 dist 9.90117 8.0166 10.2796 6.22805 6.09254 5.70161 11.7275 8.94874 16.9449 11.9671 numMergedOcc 0
7 mol 7 unq 6 iso 0 dist 9.90117 9.32945 5.38328 6.22805 6.09254 4.57188 15.279 7.5298 8.85869 12.3221 numMergedOcc 0
8 mol 7 unq 7 iso 0 dist 9.90117 9.32945 5.38328 6.22805 6.09254 4.57188 11.7275 8.94874 13.7 11.9671 numMergedOcc 0
9 mol 12 unq 0 iso 0 dist 8.98466 5.9021 12.3127 8.17618 6.89226 7.58748 8.5421 7.96154 14.2972 12.8973 numMergedOcc 0
10 mol 19 unq 0 iso 0 dist 9.79426 9.3147 17.1338 7.78708 9.55318 9.38012 9.27965 9.55978 18.5363 15.0086 numMergedOcc 0
11 mol 19 unq 1 iso 0 dist 9.79426 9.3147 17.1338 7.84393 9.84922 10.5285 9.27965 9.55978 18.5363 13.7212 numMergedOcc 0
12 mol 73 unq 0 iso 0 dist 5.39171 9.27355 5.47475 4.24428 8.04817 9.76331 6.13631 7.84699 8.40844 6.10011 numMergedOcc 0
13 mol 73 unq 1 iso 0 dist 5.39171 9.27355 5.47475 4.24428 8.04817 9.76331 12.6081 7.53504 8.66342 15.5212 numMergedOcc 0
14 mol 73 unq 2 iso 0 dist 5.39171 9.27355 5.47475 6.30194 5.2774 5.44275 6.13631 7.84699 8.40844 8.124 numMergedOcc 0
15 mol 73 unq 3 iso 0 dist 5.39171 9.27355 5.47475 6.30194 5.2774 5.44275 12.6081 7.53504 8.66342 11.801 numMergedOcc 0
16 mol 73 unq 4 iso 0 dist 5.39171 8.60363 5.05066 4.24428 8.04817 10.4402 6.13631 7.84699 6.99156 6.10011 numMergedOcc 0
17 mol 73 unq 5 iso 0 dist 5.39171 8.60363 5.05066 4.24428 8.04817 10.4402 12.6081 7.53504 7.21285 15.5212 numMergedOcc 0
18 mol 73 unq 6 iso 0 dist 5.39171 8.60363 5.05066 6.30194 5.2774 8.0624 6.13631 7.84699 6.99156 8.124 numMergedOcc 0
19 mol 73 unq 7 iso 0 dist 5.39171 8.60363 5.05066 6.30194 5.2774 8.0624 12.6081 7.53504 7.21285 11.801 numMergedOcc 0
20 mol 73 unq 8 iso 0 dist 9.27355 5.39171 5.47475 4.24428 9.76331 8.04817 6.13631 8.40844 7.84699 6.10011 numMergedOcc 0
21 mol 73 unq 9 iso 0 dist 9.27355 5.39171 5.47475 4.24428 9.76331 8.04817 16.1129 7.02351 12.1654 15.7658 numMergedOcc 0
22 mol 73 unq 10 iso 0 dist 9.27355 5.39171 5.47475 4.24428 9.76331 8.04817 12.6081 8.66342 7.53504 15.5212 numMergedOcc 0
23 mol 73 unq 11 iso 0 dist 9.27355 5.39171 5.47475 6.30194 5.44275 5.2774 6.13631 8.40844 7.84699 8.124 numMergedOcc 0
24 mol 73 unq 12 iso 0 dist 9.27355 5.39171 5.47475 6.30194 5.44275 5.2774 16.1129 7.02351 12.1654 10.9082 numMergedOcc 0
25 mol 73 unq 13 iso 0 dist 9.27355 5.39171 5.47475 6.30194 5.44275 5.2774 12.6081 8.66342 7.53504 11.801 numMergedOcc 0
26 mol 73 unq 14 iso 0 dist 9.27355 8.60363 4.4628 4.24428 9.76331 10.4402 6.13631 8.40844 6.99156 6.10011 numMergedOcc 0
27 mol 73 unq 15 iso 0 dist 9.27355 8.60363 4.4628 4.24428 9.76331 10.4402 16.1129 7.02351 10.4593 15.7658 numMergedOcc 0
28 mol 73 unq 16 iso 0 dist 9.27355 8.60363 4.4628 4.24428 9.76331 10.4402 12.6081 8.66342 7.21285 15.5212 numMergedOcc 0
29 mol 73 unq 17 iso 0 dist 9.27355 8.60363 4.4628 6.30194 5.44275 8.0624 6.13631 8.40844 6.99156 8.124 numMergedOcc 0
30 mol 73 unq 18 iso 0 dist 9.27355 8.60363 4.4628 6.30194 5.44275 8.0624 16.1129 7.02351 10.4593 10.9082 numMergedOcc 0
31 mol 73 unq 19 iso 0 dist 9.27355 8.60363 4.4628 6.30194 5.44275 8.0624 12.6081 8.66342 7.21285 11.801 numMergedOcc 0
32 mol 73 unq 20 iso 0 dist 8.60363 5.39171 5.05066 4.24428 10.4402 8.04817 6.13631 6.99156 7.84699 6.10011 numMergedOcc 0
33 mol 73 unq 21 iso 0 dist 8.60363 5.39171 5.05066 4.24428 10.4402 8.04817 12.6081 7.21285 7.53504 15.5212 numMergedOcc 0
34 mol 73 unq 22 iso 0 dist 8.60363 5.39171 5.05066 6.30194 8.0624 5.2774 6.13631 6.99156 7.84699 8.124 numMergedOcc 0
35 mol 73 unq 23 iso 0 dist 8.60363 5.39171 5.05066 6.30194 8.0624 5.2774 12.6081 7.21285 7.53504 11.801 numMergedOcc 0
36 mol 73 unq 24 iso 0 dist 8.60363 9.27355 4.4628 4.24428 10.4402 9.76331 6.13631 6.99156 8.40844 6.10011 numMergedOcc 0
37 mol 73 unq 25 iso 0 dist 8.60363 9.27355 4.4628 4.24428 10.4402 9.76331 12.6081 7.21285 8.66342 15.5212 numMergedOcc 0
38 mol 73 unq 26 iso 0 dist 8.60363 9.27355 4.4628 6.30194 8.0624 5.44275 6.13631 6.99156 8.40844 8.124 numMergedOcc 0
39 mol 73 unq 27 iso 0 dist 8.60363 9.27355 4.4628 6.30194 8.0624 5.44275 12.6081 7.21285 8.66342 11.801 numMergedOcc 0
40 mol 114 unq 0 iso 0 dist 5.31281 8.9922 5.67339 9.24515 7.18757 7.13921 7.22809 8.592 14.0354 11.8382 numMergedOcc 0
41 mol 214 unq 0 iso 0 dist 9.81136 7.25293 9.46821 8.47248 4.82712 7.84001 14.9808 5.69733 14.3696 10.1886 numMergedOcc 0
42 mol 220 unq 0 iso 0 dist 7.57716 8.98362 13.3644 9.85951 9.86723 6.80494 7.52634 9.41713 15.8264 16.3217 numMergedOcc 0
43 mol 223 unq 0 iso 0 dist 9.29204 9.14789 4.44825 9.94212 18.385 19.0281 4.68566 9.86372 7.70946 13.4805 numMergedOcc 0
44 mol 223 unq 1 iso 0 dist 9.29204 9.14789 4.44825 7.34316 8.16187 11.2364 4.68566 9.86372 7.70946 11.0403 numMergedOcc 0
45 mol 223 unq 2 iso 0 dist 9.29204 7.80764 16.0208 9.94212 18.385 4.67731 4.68566 9.86372 11.3699 13.4805 numMergedOcc 0
46 mol 223 unq 3 iso 0 dist 9.29204 7.80764 16.0208 7.34316 8.16187 11.4951 4.68566 9.86372 11.3699 11.0403 numMergedOcc 0
47 mol 223 unq 4 iso 0 dist 9.29204 5.75896 11.898 9.94212 18.385 7.19485 4.68566 9.86372 10.1945 13.4805 numMergedOcc 0
48 mol 223 unq 5 iso 0 dist 9.29204 5.75896 11.898 7.34316 8.16187 5.18719 4.68566 9.86372 10.1945 11.0403 numMergedOcc 0
49 mol 223 unq 6 iso 0 dist 9.14789 9.29204 4.44825 9.94212 19.0281 18.385 4.68566 7.70946 9.86372 13.4805 numMergedOcc 0
50 mol 223 unq 7 iso 0 dist 9.14789 9.29204 4.44825 7.34316 11.2364 8.16187 4.68566 7.70946 9.86372 11.0403 numMergedOcc 0
51 mol 223 unq 8 iso 0 dist 9.14789 7.80764 16.2327 9.94212 19.0281 4.67731 4.68566 7.70946 11.3699 13.4805 numMergedOcc 0
52 mol 223 unq 9 iso 0 dist 9.14789 7.80764 16.2327 7.34316 11.2364 11.4951 4.68566 7.70946 11.3699 11.0403 numMergedOcc 0
53 mol 223 unq 10 iso 0 dist 9.14789 5.75896 13.5741 9.94212 19.0281 7.19485 4.68566 7.70946 10.1945 13.4805 numMergedOcc 0
54 mol 223 unq 11 iso 0 dist 9.14789 5.75896 13.5741 7.34316 11.2364 5.18719 4.68566 7.70946 10.1945 11.0403 numMergedOcc 0
55 mol 224 unq 0 iso 0 dist 6.6537 9.08719 11.6002 7.04127 6.46679 7.85135 9.80029 7.46044 17.2648 10.6043 numMergedOcc 0
56 mol 258 unq 0 iso 0 dist 6.08181 7.70189 9.86352 9.67877 5.09738 10.4667 11.1086 9.26487 17.4434 11.1385 numMergedOcc 0
57 mol 258 unq 1 iso 0 dist 6.08181 7.70189 9.86352 8.81059 13.8694 9.22664 11.1086 9.26487 17.4434 19.5306 numMergedOcc 0
58 mol 258 unq 2 iso 0 dist 6.08181 7.70189 9.86352 9.12006 14.0402 13.0489 11.1086 9.26487 17.4434 17.8125 numMergedOcc 0
59 mol 258 unq 3 iso 0 dist 7.70189 6.08181 9.86352 9.67877 10.4667 5.09738 5.79358 6.59521 10.9114 12.6095 numMergedOcc 0
60 mol 258 unq 4 iso 0 dist 7.70189 6.08181 9.86352 8.81059 9.22664 13.8694 5.79358 6.59521 10.9114 8.21585 numMergedOcc 0
61 mol 258 unq 5 iso 0 dist 7.70189 6.08181 9.86352 9.12006 13.0489 14.0402 5.79358 6.59521 10.9114 10.6274 numMergedOcc 0
62 mol 265 unq 0 iso 0 dist 4.03921 9.56472 13.1954 7.54805 5.11366 15.4199 5.46523 5.10595 13.9472 5.3051 numMergedOcc 0
63 mol 265 unq 1 iso 0 dist 4.03921 6.5072 7.82127 7.54805 5.11366 12.4903 5.46523 5.10595 11.5573 5.3051 numMergedOcc 0
64 mol 274 unq 0 iso 0 dist 9.07452 7.21004 10.3541 6.21831 6.57235 4.97216 14.9337 8.17922 14.8666 13.261 numMergedOcc 0
65 mol 274 unq 1 iso 0 dist 7.21004 9.07452 10.3541 6.21831 4.97216 6.57235 6.33183 5.68643 12.136 8.78883 numMergedOcc 0
66 mol 274 unq 2 iso 0 dist 6.44266 8.75703 10.3541 9.79674 9.61244 10.7877 6.26074 8.17922 14.8666 12.336 numMergedOcc 0
67 mol 274 unq 3 iso 0 dist 6.44266 8.75703 10.3541 8.3291 6.57235 4.97216 6.26074 8.17922 14.8666 13.261 numMergedOcc 0
68 mol 274 unq 4 iso 0 dist 8.75703 6.44266 10.3541 9.79674 10.7877 9.61244 9.34663 5.68643 12.136 15.4145 numMergedOcc 0
69 mol 274 unq 5 iso 0 dist 8.75703 6.44266 10.3541 8.3291 4.97216 6.57235 9.34663 5.68643 12.136 8.78883 numMergedOcc 0
70 mol 279 unq 0 iso 0 dist 5.78017 8.78203 10.71 6.47376 5.34376 5.86731 4.77763 8.36655 10.6842 8.68797 numMergedOcc 0
71 mol 279 unq 1 iso 0 dist 6.12742 7.319 10.8005 9.6147 5.34376 13.2117 5.44699 8.36655 10.0305 8.68797 numMergedOcc 0
72 mol 279 unq 2 iso 0 dist 6.12742 9.45886 5.48262 9.6147 5.34376 10.0132 5.44699 8.36655 13.376 8.68797 numMergedOcc 0
73 mol 279 unq 3 iso 0 dist 8.78203 5.78017 10.71 6.47376 5.86731 5.34376 12.3869 8.76889 15.937 12.0882 numMergedOcc 0
74 mol 279 unq 4 iso 0 dist 8.78203 5.78017 10.71 6.47376 5.86731 5.34376 7.27825 7.04397 12.2658 9.65846 numMergedOcc 0
