Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8tvp_M.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): UNK 5.A N UNK 1.A O no hydrogen 2.902 N/A UNK 6.A N UNK 2.A O no hydrogen 2.909 N/A UNK 7.A N UNK 3.A O no hydrogen 2.887 N/A UNK 8.A N UNK 4.A O no hydrogen 2.895 N/A UNK 9.A N UNK 5.A O no hydrogen 2.913 N/A UNK 10.A N UNK 6.A O no hydrogen 2.897 N/A UNK 11.A N UNK 7.A O no hydrogen 2.878 N/A UNK 12.A N UNK 8.A O no hydrogen 2.909 N/A UNK 13.A N UNK 9.A O no hydrogen 2.910 N/A UNK 14.A N UNK 10.A O no hydrogen 2.885 N/A UNK 15.A N UNK 11.A O no hydrogen 2.892 N/A UNK 16.A N UNK 12.A O no hydrogen 2.913 N/A UNK 17.A N UNK 14.A O no hydrogen 2.872 N/A UNK 18.A N UNK 15.A O no hydrogen 3.106 N/A UNK 19.A N UNK 14.A O no hydrogen 3.350 N/A UNK 22.A N UNK 214.A O no hydrogen 2.753 N/A UNK 23.A N UNK 145.A O no hydrogen 3.243 N/A UNK 24.A N UNK 216.A O no hydrogen 2.403 N/A UNK 29.A N UNK 26.A O no hydrogen 3.158 N/A UNK 35.A N UNK 31.A O no hydrogen 3.141 N/A UNK 36.A N UNK 32.A O no hydrogen 3.429 N/A UNK 37.A N UNK 33.A O no hydrogen 2.905 N/A UNK 38.A N UNK 34.A O no hydrogen 2.898 N/A UNK 39.A N UNK 35.A O no hydrogen 2.897 N/A UNK 40.A N UNK 36.A O no hydrogen 2.904 N/A UNK 41.A N UNK 38.A O no hydrogen 3.255 N/A UNK 42.A N UNK 38.A O no hydrogen 2.895 N/A UNK 43.A N UNK 39.A O no hydrogen 3.204 N/A UNK 44.A N UNK 41.A O no hydrogen 3.335 N/A UNK 45.A N UNK 41.A O no hydrogen 2.532 N/A UNK 46.A N UNK 41.A O no hydrogen 2.809 N/A UNK 48.A N UNK 42.A O no hydrogen 3.030 N/A UNK 52.A N UNK 92.A O no hydrogen 3.221 N/A UNK 53.A N UNK 115.A O no hydrogen 3.479 N/A UNK 54.A N UNK 94.A O no hydrogen 3.242 N/A UNK 55.A N UNK 117.A O no hydrogen 3.239 N/A UNK 61.A N UNK 57.A O no hydrogen 2.235 N/A UNK 62.A N UNK 58.A O no hydrogen 2.909 N/A UNK 63.A N UNK 59.A O no hydrogen 2.928 N/A UNK 64.A N UNK 60.A O no hydrogen 2.865 N/A UNK 65.A N UNK 61.A O no hydrogen 2.894 N/A UNK 66.A N UNK 62.A O no hydrogen 2.948 N/A UNK 67.A N UNK 63.A O no hydrogen 2.896 N/A UNK 68.A N UNK 64.A O no hydrogen 2.867 N/A UNK 69.A N UNK 65.A O no hydrogen 2.918 N/A UNK 70.A N UNK 66.A O no hydrogen 2.935 N/A UNK 71.A N UNK 67.A O no hydrogen 2.875 N/A UNK 72.A N UNK 68.A O no hydrogen 2.957 N/A UNK 78.A N UNK 93.A O no hydrogen 3.162 N/A UNK 88.A N UNK 84.A O no hydrogen 3.069 N/A UNK 89.A N UNK 85.A O no hydrogen 2.811 N/A UNK 89.A N UNK 86.A O no hydrogen 3.074 N/A UNK 91.A N UNK 89.A O no hydrogen 2.976 N/A UNK 93.A N UNK 76.A O no hydrogen 2.788 N/A UNK 94.A N UNK 52.A O no hydrogen 2.609 N/A UNK 95.A N UNK 78.A O no hydrogen 3.252 N/A UNK 95.A N UNK 93.A O no hydrogen 3.202 N/A UNK 101.A N UNK 97.A O no hydrogen 2.883 N/A UNK 102.A N UNK 98.A O no hydrogen 2.784 N/A UNK 103.A N UNK 100.A O no hydrogen 2.954 N/A UNK 104.A N UNK 100.A O no hydrogen 2.841 N/A UNK 105.A N UNK 101.A O no hydrogen 2.918 N/A UNK 112.A N UNK 110.A O no hydrogen 2.963 N/A UNK 116.A N UNK 142.A O no hydrogen 3.097 N/A UNK 117.A N UNK 53.A O no hydrogen 2.949 N/A UNK 123.A N UNK 120.A O no hydrogen 2.813 N/A UNK 124.A N UNK 121.A O no hydrogen 3.202 N/A UNK 125.A N UNK 121.A O no hydrogen 3.269 N/A UNK 126.A N UNK 124.A O no hydrogen 2.396 N/A UNK 129.A N UNK 126.A O no hydrogen 3.178 N/A UNK 133.A N UNK 129.A O no hydrogen 3.116 N/A UNK 134.A N UNK 130.A O no hydrogen 2.926 N/A UNK 135.A N UNK 131.A O no hydrogen 2.834 N/A UNK 136.A N UNK 133.A O no hydrogen 3.089 N/A UNK 138.A N UNK 134.A O no hydrogen 3.107 N/A UNK 144.A N UNK 116.A O no hydrogen 3.166 N/A UNK 158.A N UNK 154.A O no hydrogen 2.966 N/A UNK 159.A N UNK 155.A O no hydrogen 2.965 N/A UNK 159.A N UNK 156.A O no hydrogen 3.217 N/A UNK 161.A N UNK 157.A O no hydrogen 3.474 N/A UNK 162.A N UNK 159.A O no hydrogen 3.252 N/A UNK 164.A N UNK 161.A O no hydrogen 3.149 N/A UNK 165.A N UNK 161.A O no hydrogen 2.557 N/A UNK 166.A N UNK 162.A O no hydrogen 3.090 N/A UNK 176.A N UNK 172.A O no hydrogen 2.735 N/A UNK 177.A N UNK 173.A O no hydrogen 2.590 N/A UNK 178.A N UNK 174.A O no hydrogen 3.417 N/A UNK 179.A N UNK 176.A O no hydrogen 3.201 N/A UNK 180.A N UNK 176.A O no hydrogen 2.995 N/A UNK 181.A N UNK 176.A O no hydrogen 2.720 N/A UNK 184.A N UNK 180.A O no hydrogen 3.001 N/A UNK 185.A N UNK 181.A O no hydrogen 3.034 N/A UNK 186.A N UNK 182.A O no hydrogen 3.149 N/A UNK 187.A N UNK 183.A O no hydrogen 2.921 N/A UNK 189.A N UNK 184.A O no hydrogen 3.273 N/A UNK 194.A N UNK 191.A O no hydrogen 3.365 N/A UNK 195.A N UNK 191.A O no hydrogen 2.842 N/A UNK 197.A N UNK 195.A O no hydrogen 2.887 N/A UNK 199.A N UNK 196.A O no hydrogen 3.154 N/A UNK 201.A N UNK 197.A O no hydrogen 3.014 N/A UNK 202.A N UNK 198.A O no hydrogen 2.988 N/A UNK 203.A N UNK 199.A O no hydrogen 2.964 N/A UNK 204.A N UNK 200.A O no hydrogen 2.252 N/A UNK 205.A N UNK 201.A O no hydrogen 2.574 N/A UNK 206.A N UNK 202.A O no hydrogen 2.561 N/A UNK 207.A N UNK 203.A O no hydrogen 2.916 N/A UNK 208.A N UNK 204.A O no hydrogen 2.903 N/A UNK 209.A N UNK 205.A O no hydrogen 2.453 N/A UNK 210.A N UNK 206.A O no hydrogen 2.878 N/A UNK 211.A N UNK 207.A O no hydrogen 3.302 N/A UNK 212.A N UNK 209.A O no hydrogen 3.147 N/A UNK 215.A N UNK 212.A O no hydrogen 3.068 N/A UNK 216.A N UNK 22.A O no hydrogen 2.724 N/A UNK 223.A N UNK 220.A O no hydrogen 3.226 N/A UNK 224.A N UNK 220.A O no hydrogen 2.510 N/A UNK 231.A N UNK 229.A O no hydrogen 2.749 N/A UNK 233.A N UNK 412.A O no hydrogen 2.779 N/A UNK 235.A N UNK 414.A O no hydrogen 2.564 N/A UNK 237.A N UNK 416.A O no hydrogen 2.426 N/A UNK 244.A N UNK 240.A O no hydrogen 2.595 N/A UNK 245.A N UNK 241.A O no hydrogen 2.884 N/A UNK 246.A N UNK 242.A O no hydrogen 2.688 N/A UNK 247.A N UNK 243.A O no hydrogen 2.744 N/A UNK 248.A N UNK 244.A O no hydrogen 3.043 N/A UNK 249.A N UNK 245.A O no hydrogen 2.736 N/A UNK 250.A N UNK 246.A O no hydrogen 2.741 N/A UNK 251.A N UNK 247.A O no hydrogen 2.807 N/A UNK 252.A N UNK 248.A O no hydrogen 2.737 N/A UNK 253.A N UNK 248.A O no hydrogen 3.007 N/A UNK 254.A N UNK 249.A O no hydrogen 2.715 N/A UNK 255.A N UNK 252.A O no hydrogen 2.917 N/A UNK 259.A N UNK 256.A O no hydrogen 3.184 N/A UNK 260.A N UNK 257.A O no hydrogen 3.137 N/A UNK 267.A N UNK 263.A O no hydrogen 2.731 N/A UNK 268.A N UNK 264.A O no hydrogen 2.968 N/A UNK 269.A N UNK 265.A O no hydrogen 2.448 N/A UNK 270.A N UNK 266.A O no hydrogen 2.846 N/A UNK 271.A N UNK 267.A O no hydrogen 3.262 N/A UNK 272.A N UNK 268.A O no hydrogen 2.571 N/A UNK 273.A N UNK 269.A O no hydrogen 2.475 N/A UNK 274.A N UNK 270.A O no hydrogen 2.872 N/A UNK 275.A N UNK 271.A O no hydrogen 2.872 N/A UNK 276.A N UNK 273.A O no hydrogen 3.103 N/A UNK 277.A N UNK 274.A O no hydrogen 3.201 N/A UNK 278.A N UNK 275.A O no hydrogen 3.046 N/A UNK 279.A N UNK 275.A O no hydrogen 3.123 N/A UNK 283.A N UNK 279.A O no hydrogen 3.031 N/A UNK 286.A N UNK 283.A O no hydrogen 3.255 N/A UNK 287.A N UNK 284.A O no hydrogen 3.191 N/A UNK 291.A N UNK 287.A O no hydrogen 3.429 N/A UNK 292.A N UNK 288.A O no hydrogen 3.207 N/A UNK 293.A N UNK 289.A O no hydrogen 3.047 N/A UNK 294.A N UNK 290.A O no hydrogen 2.907 N/A UNK 295.A N UNK 291.A O no hydrogen 3.038 N/A UNK 296.A N UNK 292.A O no hydrogen 2.902 N/A UNK 297.A N UNK 293.A O no hydrogen 2.935 N/A UNK 298.A N UNK 294.A O no hydrogen 3.077 N/A UNK 299.A N UNK 295.A O no hydrogen 2.739 N/A UNK 300.A N UNK 296.A O no hydrogen 2.747 N/A UNK 301.A N UNK 297.A O no hydrogen 2.957 N/A UNK 302.A N UNK 298.A O no hydrogen 2.727 N/A UNK 303.A N UNK 299.A O no hydrogen 2.922 N/A UNK 303.A N UNK 300.A O no hydrogen 3.110 N/A UNK 304.A N UNK 301.A O no hydrogen 3.127 N/A UNK 305.A N UNK 300.A O no hydrogen 2.675 N/A UNK 309.A N UNK 363.A O no hydrogen 3.108 N/A UNK 310.A N UNK 383.A O no hydrogen 2.303 N/A UNK 311.A N UNK 365.A O no hydrogen 2.841 N/A UNK 317.A N UNK 313.A O no hydrogen 2.997 N/A UNK 318.A N UNK 314.A O no hydrogen 3.251 N/A UNK 319.A N UNK 315.A O no hydrogen 3.096 N/A UNK 320.A N UNK 316.A O no hydrogen 2.595 N/A UNK 321.A N UNK 317.A O no hydrogen 3.153 N/A UNK 322.A N UNK 318.A O no hydrogen 3.097 N/A UNK 323.A N UNK 319.A O no hydrogen 2.764 N/A UNK 324.A N UNK 320.A O no hydrogen 2.785 N/A UNK 325.A N UNK 322.A O no hydrogen 3.221 N/A UNK 326.A N UNK 322.A O no hydrogen 2.544 N/A UNK 327.A N UNK 322.A O no hydrogen 3.375 N/A UNK 328.A N UNK 323.A O no hydrogen 2.521 N/A UNK 331.A N UNK 328.A O no hydrogen 3.228 N/A UNK 332.A N UNK 324.A O no hydrogen 3.165 N/A UNK 333.A N UNK 329.A O no hydrogen 3.118 N/A UNK 333.A N UNK 330.A O no hydrogen 3.043 N/A UNK 334.A N UNK 331.A O no hydrogen 3.370 N/A UNK 348.A N UNK 344.A O no hydrogen 2.856 N/A UNK 349.A N UNK 345.A O no hydrogen 2.918 N/A UNK 350.A N UNK 346.A O no hydrogen 3.209 N/A UNK 351.A N UNK 347.A O no hydrogen 3.001 N/A UNK 352.A N UNK 348.A O no hydrogen 3.073 N/A UNK 353.A N UNK 349.A O no hydrogen 3.124 N/A UNK 354.A N UNK 350.A O no hydrogen 2.820 N/A UNK 355.A N UNK 351.A O no hydrogen 2.922 N/A UNK 356.A N UNK 352.A O no hydrogen 3.014 N/A UNK 357.A N UNK 353.A O no hydrogen 2.732 N/A UNK 360.A N UNK 354.A O no hydrogen 3.247 N/A UNK 361.A N UNK 335.A O no hydrogen 3.098 N/A UNK 362.A N UNK 335.A O no hydrogen 3.085 N/A UNK 364.A N UNK 337.A O no hydrogen 2.816 N/A UNK 370.A N UNK 366.A O no hydrogen 3.145 N/A UNK 372.A N UNK 369.A O no hydrogen 2.984 N/A UNK 379.A N UNK 376.A O no hydrogen 3.256 N/A UNK 380.A N UNK 306.A O no hydrogen 3.323 N/A UNK 381.A N UNK 306.A O no hydrogen 3.101 N/A UNK 382.A N UNK 411.A O no hydrogen 3.199 N/A UNK 383.A N UNK 308.A O no hydrogen 2.634 N/A UNK 385.A N UNK 310.A O no hydrogen 2.880 N/A UNK 394.A N UNK 390.A O no hydrogen 3.284 N/A UNK 399.A N UNK 395.A O no hydrogen 2.834 N/A UNK 400.A N UNK 396.A O no hydrogen 3.382 N/A UNK 401.A N UNK 397.A O no hydrogen 3.309 N/A UNK 402.A N UNK 398.A O no hydrogen 3.113 N/A UNK 403.A N UNK 400.A O no hydrogen 3.216 N/A UNK 406.A N UNK 403.A O no hydrogen 2.969 N/A UNK 412.A N UNK 231.A O no hydrogen 3.390 N/A UNK 413.A N UNK 382.A O no hydrogen 3.078 N/A UNK 414.A N UNK 233.A O no hydrogen 2.782 N/A UNK 416.A N UNK 235.A O no hydrogen 2.405 N/A UNK 418.A N UNK 237.A O no hydrogen 2.611 N/A UNK 423.A N UNK 420.A O no hydrogen 3.214 N/A UNK 425.A N UNK 421.A O no hydrogen 2.880 N/A UNK 426.A N UNK 422.A O no hydrogen 2.884 N/A UNK 427.A N UNK 423.A O no hydrogen 3.044 N/A UNK 428.A N UNK 424.A O no hydrogen 3.064 N/A UNK 429.A N UNK 425.A O no hydrogen 2.952 N/A UNK 430.A N UNK 426.A O no hydrogen 3.242 N/A UNK 431.A N UNK 427.A O no hydrogen 2.995 N/A UNK 432.A N UNK 428.A O no hydrogen 3.081 N/A UNK 432.A N UNK 429.A O no hydrogen 3.102 N/A UNK 433.A N UNK 430.A O no hydrogen 2.963 N/A