Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5adx_N.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): UNK 5.A N UNK 1.A O no hydrogen 3.115 N/A UNK 6.A N UNK 2.A O no hydrogen 3.032 N/A UNK 7.A N UNK 3.A O no hydrogen 2.748 N/A UNK 8.A N UNK 4.A O no hydrogen 2.778 N/A UNK 9.A N UNK 5.A O no hydrogen 2.979 N/A UNK 10.A N UNK 6.A O no hydrogen 2.751 N/A UNK 11.A N UNK 7.A O no hydrogen 2.707 N/A UNK 12.A N UNK 8.A O no hydrogen 2.868 N/A UNK 13.A N UNK 9.A O no hydrogen 2.791 N/A UNK 14.A N UNK 10.A O no hydrogen 2.679 N/A UNK 15.A N UNK 11.A O no hydrogen 2.751 N/A UNK 16.A N UNK 12.A O no hydrogen 2.872 N/A UNK 17.A N UNK 13.A O no hydrogen 2.711 N/A UNK 18.A N UNK 14.A O no hydrogen 2.668 N/A UNK 19.A N UNK 15.A O no hydrogen 2.768 N/A UNK 20.A N UNK 16.A O no hydrogen 2.777 N/A UNK 21.A N UNK 17.A O no hydrogen 2.684 N/A UNK 22.A N UNK 18.A O no hydrogen 2.676 N/A UNK 23.A N UNK 19.A O no hydrogen 2.732 N/A UNK 24.A N UNK 20.A O no hydrogen 2.777 N/A UNK 25.A N UNK 21.A O no hydrogen 2.703 N/A UNK 26.A N UNK 22.A O no hydrogen 2.644 N/A UNK 27.A N UNK 23.A O no hydrogen 2.742 N/A UNK 28.A N UNK 24.A O no hydrogen 2.851 N/A UNK 29.A N UNK 25.A O no hydrogen 2.696 N/A UNK 30.A N UNK 26.A O no hydrogen 2.595 N/A UNK 31.A N UNK 27.A O no hydrogen 2.987 N/A UNK 32.A N UNK 28.A O no hydrogen 3.112 N/A UNK 33.A N UNK 29.A O no hydrogen 2.640 N/A UNK 36.A N UNK 32.A O no hydrogen 3.231 N/A UNK 37.A N UNK 33.A O no hydrogen 2.577 N/A UNK 38.A N UNK 34.A O no hydrogen 2.940 N/A UNK 48.A N UNK 44.A O no hydrogen 2.900 N/A UNK 49.A N UNK 45.A O no hydrogen 2.723 N/A UNK 50.A N UNK 46.A O no hydrogen 3.195 N/A UNK 51.A N UNK 47.A O no hydrogen 3.226 N/A UNK 52.A N UNK 48.A O no hydrogen 2.787 N/A UNK 53.A N UNK 49.A O no hydrogen 2.785 N/A UNK 54.A N UNK 50.A O no hydrogen 3.191 N/A UNK 55.A N UNK 51.A O no hydrogen 2.977 N/A UNK 56.A N UNK 52.A O no hydrogen 2.893 N/A UNK 59.A N UNK 55.A O no hydrogen 3.290 N/A UNK 60.A N UNK 56.A O no hydrogen 3.298 N/A UNK 61.A N UNK 57.A O no hydrogen 3.140 N/A UNK 62.A N UNK 58.A O no hydrogen 3.034 N/A UNK 63.A N UNK 59.A O no hydrogen 3.387 N/A UNK 64.A N UNK 60.A O no hydrogen 3.227 N/A UNK 65.A N UNK 61.A O no hydrogen 2.732 N/A UNK 66.A N UNK 62.A O no hydrogen 3.122 N/A UNK 67.A N UNK 63.A O no hydrogen 3.364 N/A UNK 68.A N UNK 64.A O no hydrogen 2.944 N/A UNK 69.A N UNK 65.A O no hydrogen 2.792 N/A UNK 70.A N UNK 66.A O no hydrogen 2.721 N/A UNK 71.A N UNK 67.A O no hydrogen 3.059 N/A UNK 72.A N UNK 68.A O no hydrogen 3.415 N/A UNK 73.A N UNK 69.A O no hydrogen 2.760 N/A UNK 76.A N UNK 73.A O no hydrogen 3.156 N/A UNK 80.A N UNK 77.A O no hydrogen 3.041 N/A UNK 81.A N UNK 78.A O no hydrogen 2.547 N/A UNK 82.A N UNK 78.A O no hydrogen 3.087 N/A UNK 83.A N UNK 79.A O no hydrogen 2.689 N/A UNK 84.A N UNK 80.A O no hydrogen 3.217 N/A UNK 85.A N UNK 81.A O no hydrogen 2.953 N/A UNK 86.A N UNK 82.A O no hydrogen 2.758 N/A UNK 87.A N UNK 83.A O no hydrogen 2.729 N/A UNK 88.A N UNK 84.A O no hydrogen 3.033 N/A UNK 89.A N UNK 85.A O no hydrogen 3.052 N/A UNK 90.A N UNK 86.A O no hydrogen 2.755 N/A UNK 91.A N UNK 87.A O no hydrogen 2.977 N/A UNK 92.A N UNK 88.A O no hydrogen 2.841 N/A UNK 93.A N UNK 89.A O no hydrogen 2.749 N/A UNK 94.A N UNK 90.A O no hydrogen 3.137 N/A UNK 95.A N UNK 91.A O no hydrogen 2.965 N/A UNK 96.A N UNK 92.A O no hydrogen 2.732 N/A UNK 97.A N UNK 93.A O no hydrogen 3.157 N/A UNK 98.A N UNK 94.A O no hydrogen 3.293 N/A UNK 99.A N UNK 95.A O no hydrogen 2.771 N/A UNK 100.A N UNK 96.A O no hydrogen 2.762 N/A UNK 101.A N UNK 97.A O no hydrogen 3.174 N/A UNK 102.A N UNK 98.A O no hydrogen 2.821 N/A UNK 103.A N UNK 99.A O no hydrogen 2.693 N/A UNK 104.A N UNK 101.A O no hydrogen 3.268 N/A UNK 105.A N UNK 101.A O no hydrogen 3.357 N/A UNK 106.A N UNK 102.A O no hydrogen 2.659 N/A UNK 107.A N UNK 103.A O no hydrogen 3.021 N/A UNK 108.A N UNK 104.A O no hydrogen 3.174 N/A UNK 109.A N UNK 105.A O no hydrogen 2.736 N/A UNK 110.A N UNK 106.A O no hydrogen 2.705 N/A UNK 111.A N UNK 107.A O no hydrogen 3.094 N/A UNK 112.A N UNK 108.A O no hydrogen 2.791 N/A UNK 113.A N UNK 109.A O no hydrogen 2.657 N/A UNK 114.A N UNK 110.A O no hydrogen 2.830 N/A UNK 115.A N UNK 111.A O no hydrogen 2.910 N/A UNK 116.A N UNK 112.A O no hydrogen 2.650 N/A UNK 117.A N UNK 113.A O no hydrogen 2.735 N/A UNK 119.A N UNK 115.A O no hydrogen 2.950 N/A UNK 120.A N UNK 116.A O no hydrogen 2.578 N/A UNK 122.A N UNK 118.A O no hydrogen 3.211 N/A UNK 123.A N UNK 119.A O no hydrogen 2.721 N/A UNK 124.A N UNK 120.A O no hydrogen 2.697 N/A UNK 125.A N UNK 121.A O no hydrogen 2.892 N/A UNK 126.A N UNK 122.A O no hydrogen 2.746 N/A UNK 127.A N UNK 123.A O no hydrogen 2.679 N/A UNK 128.A N UNK 124.A O no hydrogen 2.799 N/A UNK 129.A N UNK 125.A O no hydrogen 2.807 N/A UNK 130.A N UNK 126.A O no hydrogen 2.669 N/A UNK 131.A N UNK 127.A O no hydrogen 2.766 N/A UNK 132.A N UNK 128.A O no hydrogen 3.030 N/A UNK 133.A N UNK 129.A O no hydrogen 2.735 N/A UNK 134.A N UNK 130.A O no hydrogen 2.713 N/A UNK 135.A N UNK 131.A O no hydrogen 2.880 N/A UNK 136.A N UNK 132.A O no hydrogen 2.867 N/A UNK 137.A N UNK 133.A O no hydrogen 2.756 N/A UNK 138.A N UNK 134.A O no hydrogen 2.758 N/A UNK 139.A N UNK 135.A O no hydrogen 2.918 N/A UNK 140.A N UNK 136.A O no hydrogen 2.815 N/A UNK 141.A N UNK 137.A O no hydrogen 2.788 N/A UNK 142.A N UNK 138.A O no hydrogen 2.844 N/A UNK 143.A N UNK 139.A O no hydrogen 2.834 N/A UNK 144.A N UNK 140.A O no hydrogen 2.934 N/A UNK 145.A N UNK 141.A O no hydrogen 2.973 N/A UNK 146.A N UNK 142.A O no hydrogen 3.023 N/A UNK 147.A N UNK 143.A O no hydrogen 3.038 N/A UNK 148.A N UNK 144.A O no hydrogen 3.061 N/A UNK 149.A N UNK 145.A O no hydrogen 2.849 N/A UNK 150.A N UNK 146.A O no hydrogen 2.998 N/A UNK 151.A N UNK 147.A O no hydrogen 3.143 N/A UNK 152.A N UNK 148.A O no hydrogen 3.102 N/A UNK 153.A N UNK 149.A O no hydrogen 3.026 N/A UNK 154.A N UNK 150.A O no hydrogen 2.917 N/A UNK 155.A N UNK 151.A O no hydrogen 3.023 N/A UNK 156.A N UNK 152.A O no hydrogen 3.045 N/A UNK 157.A N UNK 153.A O no hydrogen 2.925 N/A UNK 158.A N UNK 154.A O no hydrogen 3.009 N/A UNK 159.A N UNK 155.A O no hydrogen 3.024 N/A UNK 160.A N UNK 157.A O no hydrogen 3.370 N/A UNK 162.A N UNK 158.A O no hydrogen 3.043 N/A UNK 163.A N UNK 159.A O no hydrogen 3.129 N/A UNK 164.A N UNK 160.A O no hydrogen 3.304 N/A UNK 165.A N UNK 161.A O no hydrogen 2.932 N/A UNK 166.A N UNK 162.A O no hydrogen 3.034 N/A UNK 167.A N UNK 163.A O no hydrogen 3.093 N/A UNK 172.A N UNK 168.A O no hydrogen 3.146 N/A UNK 173.A N UNK 169.A O no hydrogen 2.863 N/A UNK 174.A N UNK 170.A O no hydrogen 2.838 N/A UNK 175.A N UNK 171.A O no hydrogen 2.855 N/A UNK 176.A N UNK 172.A O no hydrogen 2.800 N/A UNK 177.A N UNK 173.A O no hydrogen 2.841 N/A UNK 178.A N UNK 174.A O no hydrogen 2.892 N/A UNK 179.A N UNK 175.A O no hydrogen 2.763 N/A UNK 180.A N UNK 176.A O no hydrogen 2.833 N/A UNK 181.A N UNK 177.A O no hydrogen 3.081 N/A UNK 182.A N UNK 178.A O no hydrogen 2.759 N/A UNK 183.A N UNK 179.A O no hydrogen 2.755 N/A UNK 184.A N UNK 180.A O no hydrogen 3.165 N/A UNK 185.A N UNK 181.A O no hydrogen 2.902 N/A UNK 186.A N UNK 182.A O no hydrogen 2.711 N/A UNK 187.A N UNK 183.A O no hydrogen 2.770 N/A UNK 188.A N UNK 184.A O no hydrogen 2.902 N/A UNK 189.A N UNK 185.A O no hydrogen 2.872 N/A UNK 190.A N UNK 186.A O no hydrogen 2.710 N/A UNK 191.A N UNK 187.A O no hydrogen 2.720 N/A UNK 192.A N UNK 188.A O no hydrogen 3.284 N/A UNK 193.A N UNK 189.A O no hydrogen 3.091 N/A UNK 194.A N UNK 190.A O no hydrogen 2.621 N/A UNK 195.A N UNK 191.A O no hydrogen 3.062 N/A UNK 196.A N UNK 192.A O no hydrogen 3.424 N/A UNK 197.A N UNK 193.A O no hydrogen 2.730 N/A UNK 198.A N UNK 194.A O no hydrogen 2.679 N/A UNK 199.A N UNK 195.A O no hydrogen 3.367 N/A UNK 200.A N UNK 196.A O no hydrogen 2.913 N/A UNK 201.A N UNK 197.A O no hydrogen 2.600 N/A UNK 202.A N UNK 198.A O no hydrogen 3.144 N/A UNK 203.A N UNK 199.A O no hydrogen 3.157 N/A UNK 204.A N UNK 200.A O no hydrogen 2.730 N/A UNK 207.A N UNK 203.A O no hydrogen 3.034 N/A UNK 214.A N UNK 210.A O no hydrogen 3.278 N/A UNK 215.A N UNK 211.A O no hydrogen 3.119 N/A UNK 218.A N UNK 214.A O no hydrogen 3.290 N/A UNK 219.A N UNK 215.A O no hydrogen 2.828 N/A UNK 220.A N UNK 216.A O no hydrogen 3.006 N/A UNK 221.A N UNK 217.A O no hydrogen 3.197 N/A UNK 222.A N UNK 218.A O no hydrogen 3.119 N/A UNK 223.A N UNK 219.A O no hydrogen 2.719 N/A UNK 224.A N UNK 220.A O no hydrogen 2.965 N/A UNK 225.A N UNK 221.A O no hydrogen 3.323 N/A UNK 226.A N UNK 222.A O no hydrogen 3.041 N/A UNK 227.A N UNK 223.A O no hydrogen 3.004 N/A UNK 228.A N UNK 224.A O no hydrogen 3.183 N/A UNK 229.A N UNK 225.A O no hydrogen 3.166 N/A UNK 230.A N UNK 226.A O no hydrogen 3.345 N/A UNK 231.A N UNK 227.A O no hydrogen 3.268 N/A UNK 232.A N UNK 228.A O no hydrogen 2.808 N/A UNK 233.A N UNK 229.A O no hydrogen 3.106 N/A UNK 235.A N UNK 232.A O no hydrogen 2.920 N/A UNK 236.A N UNK 233.A O no hydrogen 3.422 N/A UNK 242.A N UNK 239.A O no hydrogen 3.407 N/A UNK 245.A N UNK 241.A O no hydrogen 3.327 N/A UNK 247.A N UNK 243.A O no hydrogen 2.622 N/A UNK 248.A N UNK 244.A O no hydrogen 2.615 N/A UNK 249.A N UNK 245.A O no hydrogen 2.900 N/A UNK 250.A N UNK 246.A O no hydrogen 2.734 N/A UNK 251.A N UNK 247.A O no hydrogen 2.427 N/A UNK 252.A N UNK 248.A O no hydrogen 2.732 N/A UNK 253.A N UNK 249.A O no hydrogen 3.401 N/A UNK 254.A N UNK 250.A O no hydrogen 2.434 N/A UNK 255.A N UNK 251.A O no hydrogen 3.174 N/A UNK 255.A N UNK 252.A O no hydrogen 3.136 N/A UNK 257.A N UNK 253.A O no hydrogen 3.060 N/A UNK 258.A N UNK 254.A O no hydrogen 2.575 N/A UNK 259.A N UNK 256.A O no hydrogen 3.185 N/A UNK 260.A N UNK 256.A O no hydrogen 3.419 N/A UNK 261.A N UNK 257.A O no hydrogen 2.461 N/A UNK 262.A N UNK 258.A O no hydrogen 3.440 N/A UNK 263.A N UNK 259.A O no hydrogen 3.119 N/A UNK 264.A N UNK 260.A O no hydrogen 2.658 N/A UNK 265.A N UNK 261.A O no hydrogen 2.755 N/A UNK 266.A N UNK 262.A O no hydrogen 2.900 N/A UNK 267.A N UNK 263.A O no hydrogen 2.718 N/A UNK 268.A N UNK 264.A O no hydrogen 2.718 N/A UNK 269.A N UNK 265.A O no hydrogen 2.899 N/A UNK 270.A N UNK 266.A O no hydrogen 2.819 N/A UNK 271.A N UNK 267.A O no hydrogen 2.693 N/A UNK 272.A N UNK 268.A O no hydrogen 3.074 N/A UNK 273.A N UNK 269.A O no hydrogen 2.775 N/A UNK 274.A N UNK 270.A O no hydrogen 2.795 N/A UNK 275.A N UNK 271.A O no hydrogen 3.463 N/A UNK 276.A N UNK 272.A O no hydrogen 2.943 N/A UNK 277.A N UNK 273.A O no hydrogen 2.707 N/A UNK 280.A N UNK 276.A O no hydrogen 2.840 N/A UNK 281.A N UNK 277.A O no hydrogen 2.767 N/A UNK 282.A N UNK 278.A O no hydrogen 3.250 N/A UNK 283.A N UNK 279.A O no hydrogen 2.862 N/A UNK 284.A N UNK 280.A O no hydrogen 2.750 N/A UNK 285.A N UNK 281.A O no hydrogen 3.167 N/A UNK 286.A N UNK 282.A O no hydrogen 3.208 N/A UNK 287.A N UNK 283.A O no hydrogen 2.786 N/A UNK 288.A N UNK 284.A O no hydrogen 2.803 N/A UNK 289.A N UNK 285.A O no hydrogen 3.147 N/A UNK 290.A N UNK 286.A O no hydrogen 3.018 N/A UNK 291.A N UNK 287.A O no hydrogen 2.778 N/A UNK 292.A N UNK 288.A O no hydrogen 3.055 N/A UNK 293.A N UNK 289.A O no hydrogen 3.185 N/A UNK 294.A N UNK 290.A O no hydrogen 2.834 N/A UNK 295.A N UNK 291.A O no hydrogen 2.895 N/A UNK 296.A N UNK 292.A O no hydrogen 3.114 N/A UNK 297.A N UNK 293.A O no hydrogen 2.965 N/A UNK 298.A N UNK 294.A O no hydrogen 2.839 N/A UNK 299.A N UNK 295.A O no hydrogen 3.035 N/A UNK 300.A N UNK 296.A O no hydrogen 3.084 N/A UNK 301.A N UNK 297.A O no hydrogen 2.896 N/A UNK 302.A N UNK 298.A O no hydrogen 2.944 N/A UNK 303.A N UNK 299.A O no hydrogen 3.093 N/A UNK 304.A N UNK 300.A O no hydrogen 3.000 N/A UNK 305.A N UNK 301.A O no hydrogen 2.907 N/A UNK 306.A N UNK 302.A O no hydrogen 3.025 N/A UNK 307.A N UNK 303.A O no hydrogen 3.012 N/A UNK 308.A N UNK 304.A O no hydrogen 2.870 N/A UNK 309.A N UNK 305.A O no hydrogen 2.890 N/A UNK 310.A N UNK 306.A O no hydrogen 3.131 N/A UNK 311.A N UNK 307.A O no hydrogen 3.149 N/A UNK 312.A N UNK 308.A O no hydrogen 2.842 N/A UNK 313.A N UNK 309.A O no hydrogen 3.043 N/A UNK 314.A N UNK 310.A O no hydrogen 3.218 N/A UNK 315.A N UNK 311.A O no hydrogen 3.011 N/A UNK 316.A N UNK 312.A O no hydrogen 2.917 N/A UNK 317.A N UNK 313.A O no hydrogen 2.988 N/A UNK 318.A N UNK 314.A O no hydrogen 2.975 N/A UNK 319.A N UNK 315.A O no hydrogen 2.952 N/A UNK 320.A N UNK 316.A O no hydrogen 2.980 N/A UNK 321.A N UNK 317.A O no hydrogen 3.000 N/A UNK 322.A N UNK 318.A O no hydrogen 2.975 N/A UNK 323.A N UNK 319.A O no hydrogen 2.970 N/A UNK 324.A N UNK 320.A O no hydrogen 3.001 N/A UNK 325.A N UNK 321.A O no hydrogen 2.966 N/A UNK 326.A N UNK 322.A O no hydrogen 2.970 N/A UNK 327.A N UNK 323.A O no hydrogen 2.997 N/A UNK 328.A N UNK 324.A O no hydrogen 2.960 N/A UNK 329.A N UNK 325.A O no hydrogen 3.011 N/A UNK 330.A N UNK 326.A O no hydrogen 3.027 N/A UNK 335.A N UNK 331.A O no hydrogen 2.845 N/A UNK 336.A N UNK 332.A O no hydrogen 3.032 N/A UNK 337.A N UNK 333.A O no hydrogen 2.916 N/A UNK 338.A N UNK 334.A O no hydrogen 2.769 N/A UNK 339.A N UNK 335.A O no hydrogen 3.007 N/A UNK 340.A N UNK 336.A O no hydrogen 3.107 N/A UNK 341.A N UNK 337.A O no hydrogen 2.752 N/A UNK 342.A N UNK 338.A O no hydrogen 2.772 N/A UNK 343.A N UNK 339.A O no hydrogen 3.089 N/A UNK 344.A N UNK 340.A O no hydrogen 2.752 N/A UNK 345.A N UNK 341.A O no hydrogen 2.744 N/A UNK 346.A N UNK 342.A O no hydrogen 2.950 N/A UNK 347.A N UNK 343.A O no hydrogen 2.741 N/A UNK 348.A N UNK 344.A O no hydrogen 2.733 N/A UNK 349.A N UNK 345.A O no hydrogen 2.879 N/A UNK 350.A N UNK 346.A O no hydrogen 2.732 N/A UNK 351.A N UNK 347.A O no hydrogen 2.721 N/A UNK 352.A N UNK 348.A O no hydrogen 2.788 N/A UNK 353.A N UNK 349.A O no hydrogen 2.720 N/A UNK 354.A N UNK 350.A O no hydrogen 2.744 N/A UNK 355.A N UNK 351.A O no hydrogen 2.817 N/A UNK 356.A N UNK 352.A O no hydrogen 2.696 N/A UNK 357.A N UNK 353.A O no hydrogen 2.727 N/A UNK 358.A N UNK 354.A O no hydrogen 3.010 N/A UNK 359.A N UNK 355.A O no hydrogen 2.726 N/A UNK 360.A N UNK 356.A O no hydrogen 2.638 N/A UNK 361.A N UNK 357.A O no hydrogen 2.881 N/A UNK 362.A N UNK 358.A O no hydrogen 2.848 N/A UNK 363.A N UNK 359.A O no hydrogen 2.634 N/A UNK 364.A N UNK 360.A O no hydrogen 2.692 N/A UNK 366.A N UNK 363.A O no hydrogen 2.806 N/A UNK 367.A N UNK 364.A O no hydrogen 3.328 N/A UNK 373.A N UNK 369.A O no hydrogen 3.231 N/A UNK 373.A N UNK 370.A O no hydrogen 3.232 N/A UNK 374.A N UNK 370.A O no hydrogen 3.513 N/A UNK 375.A N UNK 371.A O no hydrogen 2.969 N/A UNK 376.A N UNK 372.A O no hydrogen 2.737 N/A UNK 377.A N UNK 373.A O no hydrogen 2.664 N/A UNK 378.A N UNK 374.A O no hydrogen 2.922 N/A UNK 379.A N UNK 375.A O no hydrogen 2.757 N/A UNK 380.A N UNK 376.A O no hydrogen 2.698 N/A UNK 381.A N UNK 377.A O no hydrogen 2.813 N/A UNK 382.A N UNK 378.A O no hydrogen 2.877 N/A UNK 383.A N UNK 379.A O no hydrogen 2.763 N/A UNK 384.A N UNK 380.A O no hydrogen 2.726 N/A UNK 385.A N UNK 381.A O no hydrogen 2.829 N/A UNK 386.A N UNK 382.A O no hydrogen 2.838 N/A UNK 387.A N UNK 383.A O no hydrogen 3.324 N/A UNK 388.A N UNK 384.A O no hydrogen 3.384 N/A UNK 389.A N UNK 385.A O no hydrogen 2.790 N/A UNK 390.A N UNK 386.A O no hydrogen 3.183 N/A UNK 391.A N UNK 387.A O no hydrogen 3.465 N/A UNK 392.A N UNK 388.A O no hydrogen 3.002 N/A UNK 393.A N UNK 389.A O no hydrogen 2.765 N/A UNK 394.A N UNK 390.A O no hydrogen 3.307 N/A UNK 401.A N UNK 397.A O no hydrogen 3.107 N/A UNK 402.A N UNK 398.A O no hydrogen 3.212 N/A UNK 403.A N UNK 399.A O no hydrogen 2.872 N/A UNK 404.A N UNK 400.A O no hydrogen 2.461 N/A UNK 406.A N UNK 402.A O no hydrogen 2.970 N/A UNK 407.A N UNK 403.A O no hydrogen 2.657 N/A UNK 408.A N UNK 404.A O no hydrogen 3.229 N/A UNK 409.A N UNK 405.A O no hydrogen 3.207 N/A UNK 410.A N UNK 406.A O no hydrogen 2.702 N/A UNK 411.A N UNK 407.A O no hydrogen 2.751 N/A UNK 412.A N UNK 408.A O no hydrogen 3.220 N/A UNK 413.A N UNK 409.A O no hydrogen 2.794 N/A UNK 414.A N UNK 410.A O no hydrogen 2.743 N/A UNK 415.A N UNK 411.A O no hydrogen 3.083 N/A UNK 416.A N UNK 412.A O no hydrogen 3.107 N/A UNK 417.A N UNK 413.A O no hydrogen 2.758 N/A UNK 418.A N UNK 414.A O no hydrogen 2.771 N/A UNK 419.A N UNK 415.A O no hydrogen 2.869 N/A UNK 420.A N UNK 416.A O no hydrogen 2.758 N/A UNK 423.A N UNK 419.A O no hydrogen 2.716 N/A UNK 424.A N UNK 420.A O no hydrogen 2.839 N/A UNK 425.A N UNK 421.A O no hydrogen 3.448 N/A UNK 426.A N UNK 422.A O no hydrogen 2.849 N/A UNK 427.A N UNK 423.A O no hydrogen 2.673 N/A UNK 430.A N UNK 426.A O no hydrogen 2.681 N/A UNK 431.A N UNK 427.A O no hydrogen 2.782 N/A UNK 432.A N UNK 428.A O no hydrogen 3.375 N/A UNK 433.A N UNK 429.A O no hydrogen 2.798 N/A UNK 434.A N UNK 430.A O no hydrogen 2.694 N/A UNK 437.A N UNK 433.A O no hydrogen 2.774 N/A UNK 438.A N UNK 434.A O no hydrogen 2.755 N/A UNK 439.A N UNK 435.A O no hydrogen 2.908 N/A UNK 440.A N UNK 436.A O no hydrogen 2.892 N/A UNK 441.A N UNK 437.A O no hydrogen 2.794 N/A UNK 442.A N UNK 438.A O no hydrogen 2.775 N/A UNK 443.A N UNK 439.A O no hydrogen 2.927 N/A UNK 444.A N UNK 440.A O no hydrogen 2.898 N/A UNK 445.A N UNK 441.A O no hydrogen 2.796 N/A UNK 446.A N UNK 442.A O no hydrogen 2.854 N/A UNK 447.A N UNK 443.A O no hydrogen 2.945 N/A UNK 448.A N UNK 444.A O no hydrogen 2.922 N/A UNK 449.A N UNK 445.A O no hydrogen 2.916 N/A UNK 450.A N UNK 446.A O no hydrogen 2.872 N/A UNK 451.A N UNK 447.A O no hydrogen 2.938 N/A UNK 452.A N UNK 448.A O no hydrogen 3.099 N/A UNK 453.A N UNK 449.A O no hydrogen 3.046 N/A UNK 454.A N UNK 450.A O no hydrogen 2.896 N/A UNK 455.A N UNK 451.A O no hydrogen 3.005 N/A UNK 456.A N UNK 452.A O no hydrogen 3.043 N/A UNK 457.A N UNK 453.A O no hydrogen 2.871 N/A UNK 458.A N UNK 454.A O no hydrogen 2.928 N/A UNK 459.A N UNK 455.A O no hydrogen 2.988 N/A UNK 460.A N UNK 456.A O no hydrogen 2.821 N/A UNK 461.A N UNK 457.A O no hydrogen 3.021 N/A UNK 462.A N UNK 458.A O no hydrogen 3.210 N/A UNK 463.A N UNK 459.A O no hydrogen 2.939 N/A UNK 464.A N UNK 460.A O no hydrogen 2.786 N/A UNK 465.A N UNK 461.A O no hydrogen 3.013 N/A UNK 466.A N UNK 462.A O no hydrogen 3.012 N/A UNK 467.A N UNK 463.A O no hydrogen 2.768 N/A UNK 468.A N UNK 464.A O no hydrogen 2.777 N/A UNK 469.A N UNK 465.A O no hydrogen 2.966 N/A UNK 470.A N UNK 466.A O no hydrogen 2.958 N/A UNK 471.A N UNK 467.A O no hydrogen 2.765 N/A UNK 472.A N UNK 468.A O no hydrogen 2.855 N/A UNK 473.A N UNK 469.A O no hydrogen 3.083 N/A UNK 474.A N UNK 470.A O no hydrogen 2.834 N/A UNK 475.A N UNK 471.A O no hydrogen 2.912 N/A UNK 476.A N UNK 472.A O no hydrogen 3.176 N/A UNK 477.A N UNK 473.A O no hydrogen 2.929 N/A UNK 478.A N UNK 474.A O no hydrogen 2.800 N/A UNK 479.A N UNK 475.A O no hydrogen 3.001 N/A UNK 480.A N UNK 476.A O no hydrogen 3.010 N/A UNK 481.A N UNK 477.A O no hydrogen 2.844 N/A UNK 482.A N UNK 478.A O no hydrogen 2.946 N/A UNK 483.A N UNK 479.A O no hydrogen 3.085 N/A UNK 488.A N UNK 484.A O no hydrogen 3.057 N/A UNK 489.A N UNK 485.A O no hydrogen 2.914 N/A UNK 490.A N UNK 486.A O no hydrogen 3.044 N/A UNK 491.A N UNK 487.A O no hydrogen 3.116 N/A UNK 492.A N UNK 488.A O no hydrogen 2.703 N/A UNK 493.A N UNK 489.A O no hydrogen 2.821 N/A UNK 494.A N UNK 490.A O no hydrogen 3.007 N/A UNK 495.A N UNK 491.A O no hydrogen 2.776 N/A UNK 496.A N UNK 492.A O no hydrogen 2.774 N/A UNK 497.A N UNK 493.A O no hydrogen 2.954 N/A UNK 498.A N UNK 494.A O no hydrogen 2.870 N/A UNK 499.A N UNK 495.A O no hydrogen 2.776 N/A UNK 500.A N UNK 496.A O no hydrogen 2.811 N/A UNK 501.A N UNK 497.A O no hydrogen 3.025 N/A UNK 502.A N UNK 498.A O no hydrogen 3.160 N/A UNK 503.A N UNK 499.A O no hydrogen 2.835 N/A UNK 504.A N UNK 500.A O no hydrogen 3.046 N/A UNK 507.A N UNK 503.A O no hydrogen 2.886 N/A UNK 521.A N UNK 517.A O no hydrogen 2.780 N/A UNK 522.A N UNK 518.A O no hydrogen 2.834 N/A UNK 523.A N UNK 519.A O no hydrogen 3.325 N/A UNK 524.A N UNK 521.A O no hydrogen 2.922 N/A UNK 525.A N UNK 521.A O no hydrogen 3.384 N/A UNK 526.A N UNK 522.A O no hydrogen 3.284 N/A UNK 527.A N UNK 523.A O no hydrogen 2.895 N/A UNK 528.A N UNK 524.A O no hydrogen 2.804 N/A UNK 529.A N UNK 525.A O no hydrogen 2.944 N/A UNK 530.A N UNK 526.A O no hydrogen 3.291 N/A UNK 531.A N UNK 527.A O no hydrogen 3.038 N/A UNK 532.A N UNK 528.A O no hydrogen 2.950 N/A UNK 533.A N UNK 529.A O no hydrogen 3.085 N/A UNK 534.A N UNK 530.A O no hydrogen 2.780 N/A UNK 535.A N UNK 531.A O no hydrogen 2.930 N/A UNK 536.A N UNK 532.A O no hydrogen 2.916 N/A UNK 537.A N UNK 533.A O no hydrogen 2.826 N/A UNK 538.A N UNK 534.A O no hydrogen 3.009 N/A UNK 539.A N UNK 535.A O no hydrogen 3.002 N/A UNK 540.A N UNK 536.A O no hydrogen 3.060 N/A UNK 541.A N UNK 537.A O no hydrogen 2.924 N/A UNK 542.A N UNK 538.A O no hydrogen 2.914 N/A UNK 545.A N UNK 541.A O no hydrogen 3.022 N/A UNK 546.A N UNK 542.A O no hydrogen 2.980 N/A UNK 547.A N UNK 543.A O no hydrogen 3.078 N/A UNK 548.A N UNK 544.A O no hydrogen 2.898 N/A UNK 549.A N UNK 545.A O no hydrogen 2.897 N/A UNK 550.A N UNK 546.A O no hydrogen 3.181 N/A UNK 551.A N UNK 547.A O no hydrogen 3.052 N/A UNK 552.A N UNK 548.A O no hydrogen 2.943 N/A UNK 553.A N UNK 549.A O no hydrogen 3.279 N/A UNK 554.A N UNK 550.A O no hydrogen 3.432 N/A UNK 555.A N UNK 551.A O no hydrogen 3.084 N/A UNK 556.A N UNK 552.A O no hydrogen 2.977 N/A UNK 557.A N UNK 553.A O no hydrogen 3.223 N/A UNK 558.A N UNK 554.A O no hydrogen 3.270 N/A UNK 580.A N UNK 576.A O no hydrogen 3.196 N/A UNK 581.A N UNK 577.A O no hydrogen 2.777 N/A UNK 583.A N UNK 579.A O no hydrogen 2.949 N/A UNK 584.A N UNK 580.A O no hydrogen 2.834 N/A UNK 589.A N UNK 585.A O no hydrogen 2.863 N/A UNK 590.A N UNK 586.A O no hydrogen 2.883 N/A UNK 591.A N UNK 587.A O no hydrogen 2.954 N/A UNK 592.A N UNK 588.A O no hydrogen 2.983 N/A UNK 593.A N UNK 589.A O no hydrogen 2.940 N/A UNK 594.A N UNK 590.A O no hydrogen 2.963 N/A UNK 595.A N UNK 591.A O no hydrogen 3.044 N/A UNK 596.A N UNK 592.A O no hydrogen 2.997 N/A UNK 597.A N UNK 593.A O no hydrogen 2.961 N/A UNK 598.A N UNK 594.A O no hydrogen 3.051 N/A UNK 599.A N UNK 595.A O no hydrogen 3.012 N/A UNK 600.A N UNK 596.A O no hydrogen 2.949 N/A UNK 601.A N UNK 597.A O no hydrogen 3.028 N/A UNK 602.A N UNK 598.A O no hydrogen 3.073 N/A