Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8tug_M.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): UNK 5.A N UNK 2.A O no hydrogen 2.995 N/A UNK 9.A N UNK 5.A O no hydrogen 2.851 N/A UNK 10.A N UNK 6.A O no hydrogen 2.867 N/A UNK 11.A N UNK 7.A O no hydrogen 2.925 N/A UNK 12.A N UNK 8.A O no hydrogen 2.894 N/A UNK 13.A N UNK 9.A O no hydrogen 2.883 N/A UNK 13.A N UNK 10.A O no hydrogen 3.030 N/A UNK 16.A N UNK 12.A O no hydrogen 2.893 N/A UNK 17.A N UNK 13.A O no hydrogen 2.893 N/A UNK 18.A N UNK 14.A O no hydrogen 2.910 N/A UNK 19.A N UNK 15.A O no hydrogen 2.886 N/A UNK 20.A N UNK 16.A O no hydrogen 2.905 N/A UNK 21.A N UNK 17.A O no hydrogen 2.917 N/A UNK 27.A N UNK 23.A O no hydrogen 2.729 N/A UNK 28.A N UNK 23.A O no hydrogen 3.367 N/A UNK 30.A N UNK 27.A O no hydrogen 2.800 N/A UNK 31.A N UNK 28.A O no hydrogen 3.374 N/A UNK 34.A N UNK 31.A O no hydrogen 2.739 N/A UNK 39.A N UNK 36.A O no hydrogen 2.986 N/A UNK 40.A N UNK 36.A O no hydrogen 2.602 N/A UNK 43.A N UNK 39.A O no hydrogen 3.014 N/A UNK 44.A N UNK 40.A O no hydrogen 2.916 N/A UNK 45.A N UNK 42.A O no hydrogen 3.404 N/A UNK 47.A N UNK 43.A O no hydrogen 3.499 N/A UNK 55.A N UNK 51.A O no hydrogen 2.920 N/A UNK 56.A N UNK 52.A O no hydrogen 2.643 N/A UNK 66.A N UNK 62.A O no hydrogen 2.870 N/A UNK 67.A N UNK 63.A O no hydrogen 2.906 N/A UNK 68.A N UNK 65.A O no hydrogen 3.174 N/A UNK 69.A N UNK 66.A O no hydrogen 3.080 N/A UNK 74.A N UNK 70.A O no hydrogen 2.340 N/A UNK 75.A N UNK 71.A O no hydrogen 2.915 N/A UNK 76.A N UNK 72.A O no hydrogen 2.893 N/A UNK 77.A N UNK 73.A O no hydrogen 2.892 N/A UNK 78.A N UNK 74.A O no hydrogen 2.916 N/A UNK 79.A N UNK 75.A O no hydrogen 2.901 N/A UNK 80.A N UNK 76.A O no hydrogen 2.881 N/A UNK 81.A N UNK 77.A O no hydrogen 2.918 N/A UNK 82.A N UNK 78.A O no hydrogen 2.909 N/A UNK 83.A N UNK 79.A O no hydrogen 2.882 N/A UNK 84.A N UNK 80.A O no hydrogen 2.901 N/A UNK 85.A N UNK 81.A O no hydrogen 2.916 N/A UNK 86.A N UNK 82.A O no hydrogen 2.941 N/A UNK 86.A N UNK 83.A O no hydrogen 2.842 N/A UNK 87.A N UNK 84.A O no hydrogen 3.080 N/A UNK 88.A N UNK 83.A O no hydrogen 3.412 N/A UNK 91.A N UNK 283.A O no hydrogen 2.998 N/A UNK 92.A N UNK 214.A O no hydrogen 3.243 N/A UNK 98.A N UNK 95.A O no hydrogen 3.262 N/A UNK 104.A N UNK 100.A O no hydrogen 3.291 N/A UNK 106.A N UNK 102.A O no hydrogen 2.903 N/A UNK 107.A N UNK 103.A O no hydrogen 2.903 N/A UNK 108.A N UNK 104.A O no hydrogen 2.902 N/A UNK 109.A N UNK 105.A O no hydrogen 2.902 N/A UNK 111.A N UNK 107.A O no hydrogen 2.901 N/A UNK 112.A N UNK 108.A O no hydrogen 3.307 N/A UNK 114.A N UNK 110.A O no hydrogen 2.919 N/A UNK 115.A N UNK 110.A O no hydrogen 2.977 N/A UNK 117.A N UNK 111.A O no hydrogen 3.141 N/A UNK 122.A N UNK 184.A O no hydrogen 3.402 N/A UNK 123.A N UNK 163.A O no hydrogen 2.746 N/A UNK 124.A N UNK 186.A O no hydrogen 3.315 N/A UNK 125.A N UNK 165.A O no hydrogen 3.053 N/A UNK 130.A N UNK 126.A O no hydrogen 2.266 N/A UNK 131.A N UNK 127.A O no hydrogen 2.903 N/A UNK 132.A N UNK 128.A O no hydrogen 2.939 N/A UNK 133.A N UNK 129.A O no hydrogen 2.865 N/A UNK 134.A N UNK 130.A O no hydrogen 2.886 N/A UNK 135.A N UNK 131.A O no hydrogen 2.948 N/A UNK 136.A N UNK 132.A O no hydrogen 2.912 N/A UNK 137.A N UNK 133.A O no hydrogen 2.860 N/A UNK 138.A N UNK 134.A O no hydrogen 2.913 N/A UNK 139.A N UNK 135.A O no hydrogen 2.943 N/A UNK 140.A N UNK 136.A O no hydrogen 2.880 N/A UNK 140.A N UNK 137.A O no hydrogen 3.204 N/A UNK 141.A N UNK 137.A O no hydrogen 2.753 N/A UNK 147.A N UNK 162.A O no hydrogen 3.160 N/A UNK 149.A N UNK 164.A O no hydrogen 3.222 N/A UNK 158.A N UNK 155.A O no hydrogen 3.100 N/A UNK 163.A N UNK 121.A O no hydrogen 2.536 N/A UNK 164.A N UNK 147.A O no hydrogen 3.405 N/A UNK 165.A N UNK 123.A O no hydrogen 2.937 N/A UNK 170.A N UNK 166.A O no hydrogen 2.769 N/A UNK 171.A N UNK 167.A O no hydrogen 2.640 N/A UNK 172.A N UNK 168.A O no hydrogen 3.051 N/A UNK 172.A N UNK 169.A O no hydrogen 3.102 N/A UNK 173.A N UNK 169.A O no hydrogen 2.936 N/A UNK 185.A N UNK 211.A O no hydrogen 3.140 N/A UNK 186.A N UNK 122.A O no hydrogen 2.895 N/A UNK 190.A N UNK 215.A O no hydrogen 2.897 N/A UNK 192.A N UNK 189.A O no hydrogen 2.942 N/A UNK 193.A N UNK 190.A O no hydrogen 3.268 N/A UNK 194.A N UNK 190.A O no hydrogen 3.371 N/A UNK 195.A N UNK 193.A O no hydrogen 2.328 N/A UNK 198.A N UNK 195.A O no hydrogen 3.371 N/A UNK 202.A N UNK 198.A O no hydrogen 3.015 N/A UNK 203.A N UNK 199.A O no hydrogen 2.971 N/A UNK 204.A N UNK 200.A O no hydrogen 2.674 N/A UNK 205.A N UNK 201.A O no hydrogen 3.190 N/A UNK 206.A N UNK 202.A O no hydrogen 3.468 N/A UNK 207.A N UNK 203.A O no hydrogen 2.880 N/A UNK 213.A N UNK 185.A O no hydrogen 3.228 N/A UNK 227.A N UNK 223.A O no hydrogen 2.898 N/A UNK 228.A N UNK 224.A O no hydrogen 2.906 N/A UNK 228.A N UNK 225.A O no hydrogen 3.215 N/A UNK 233.A N UNK 230.A O no hydrogen 3.175 N/A UNK 234.A N UNK 230.A O no hydrogen 2.670 N/A UNK 235.A N UNK 231.A O no hydrogen 3.128 N/A UNK 245.A N UNK 241.A O no hydrogen 3.177 N/A UNK 246.A N UNK 243.A O no hydrogen 3.089 N/A UNK 249.A N UNK 245.A O no hydrogen 3.196 N/A UNK 250.A N UNK 245.A O no hydrogen 2.987 N/A UNK 251.A N UNK 246.A O no hydrogen 3.276 N/A UNK 253.A N UNK 249.A O no hydrogen 2.964 N/A UNK 254.A N UNK 250.A O no hydrogen 2.866 N/A UNK 255.A N UNK 251.A O no hydrogen 3.137 N/A UNK 256.A N UNK 252.A O no hydrogen 3.070 N/A UNK 263.A N UNK 260.A O no hydrogen 3.334 N/A UNK 264.A N UNK 260.A O no hydrogen 2.912 N/A UNK 268.A N UNK 265.A O no hydrogen 3.151 N/A UNK 270.A N UNK 266.A O no hydrogen 3.101 N/A UNK 271.A N UNK 267.A O no hydrogen 2.979 N/A UNK 272.A N UNK 268.A O no hydrogen 3.080 N/A UNK 273.A N UNK 269.A O no hydrogen 2.296 N/A UNK 274.A N UNK 270.A O no hydrogen 2.667 N/A UNK 275.A N UNK 271.A O no hydrogen 2.818 N/A UNK 276.A N UNK 272.A O no hydrogen 2.973 N/A UNK 277.A N UNK 273.A O no hydrogen 2.897 N/A UNK 278.A N UNK 274.A O no hydrogen 2.500 N/A UNK 279.A N UNK 275.A O no hydrogen 3.158 N/A UNK 281.A N UNK 278.A O no hydrogen 3.190 N/A UNK 284.A N UNK 281.A O no hydrogen 3.058 N/A UNK 285.A N UNK 91.A O no hydrogen 2.963 N/A UNK 292.A N UNK 289.A O no hydrogen 3.245 N/A UNK 293.A N UNK 289.A O no hydrogen 2.603 N/A UNK 300.A N UNK 298.A O no hydrogen 2.753 N/A UNK 302.A N UNK 481.A O no hydrogen 2.975 N/A UNK 304.A N UNK 483.A O no hydrogen 2.775 N/A UNK 306.A N UNK 485.A O no hydrogen 2.577 N/A UNK 313.A N UNK 309.A O no hydrogen 2.828 N/A UNK 314.A N UNK 310.A O no hydrogen 3.108 N/A UNK 315.A N UNK 311.A O no hydrogen 2.889 N/A UNK 316.A N UNK 312.A O no hydrogen 2.737 N/A UNK 317.A N UNK 313.A O no hydrogen 3.104 N/A UNK 318.A N UNK 314.A O no hydrogen 2.884 N/A UNK 319.A N UNK 315.A O no hydrogen 2.764 N/A UNK 320.A N UNK 316.A O no hydrogen 3.018 N/A UNK 321.A N UNK 317.A O no hydrogen 2.735 N/A UNK 322.A N UNK 317.A O no hydrogen 3.128 N/A UNK 323.A N UNK 318.A O no hydrogen 2.591 N/A UNK 324.A N UNK 321.A O no hydrogen 2.985 N/A UNK 327.A N UNK 324.A O no hydrogen 3.184 N/A UNK 328.A N UNK 325.A O no hydrogen 3.141 N/A UNK 329.A N UNK 326.A O no hydrogen 3.375 N/A UNK 336.A N UNK 332.A O no hydrogen 2.609 N/A UNK 337.A N UNK 333.A O no hydrogen 2.634 N/A UNK 339.A N UNK 335.A O no hydrogen 3.226 N/A UNK 341.A N UNK 337.A O no hydrogen 2.637 N/A UNK 342.A N UNK 338.A O no hydrogen 2.711 N/A UNK 343.A N UNK 339.A O no hydrogen 2.796 N/A UNK 344.A N UNK 340.A O no hydrogen 2.758 N/A UNK 345.A N UNK 341.A O no hydrogen 3.148 N/A UNK 345.A N UNK 342.A O no hydrogen 3.185 N/A UNK 346.A N UNK 343.A O no hydrogen 3.075 N/A UNK 347.A N UNK 344.A O no hydrogen 2.824 N/A UNK 348.A N UNK 344.A O no hydrogen 2.842 N/A UNK 355.A N UNK 352.A O no hydrogen 3.207 N/A UNK 356.A N UNK 353.A O no hydrogen 3.181 N/A UNK 363.A N UNK 359.A O no hydrogen 3.091 N/A UNK 364.A N UNK 360.A O no hydrogen 3.121 N/A UNK 365.A N UNK 361.A O no hydrogen 2.739 N/A UNK 366.A N UNK 362.A O no hydrogen 2.837 N/A UNK 367.A N UNK 363.A O no hydrogen 2.982 N/A UNK 368.A N UNK 364.A O no hydrogen 2.700 N/A UNK 369.A N UNK 365.A O no hydrogen 2.751 N/A UNK 370.A N UNK 366.A O no hydrogen 3.045 N/A UNK 371.A N UNK 367.A O no hydrogen 2.850 N/A UNK 372.A N UNK 368.A O no hydrogen 2.985 N/A UNK 373.A N UNK 370.A O no hydrogen 3.130 N/A UNK 374.A N UNK 369.A O no hydrogen 2.659 N/A UNK 377.A N UNK 450.A O no hydrogen 2.965 N/A UNK 378.A N UNK 432.A O no hydrogen 2.893 N/A UNK 379.A N UNK 452.A O no hydrogen 2.551 N/A UNK 380.A N UNK 434.A O no hydrogen 3.015 N/A UNK 381.A N UNK 455.A O no hydrogen 3.414 N/A UNK 386.A N UNK 382.A O no hydrogen 2.930 N/A UNK 387.A N UNK 383.A O no hydrogen 3.012 N/A UNK 388.A N UNK 384.A O no hydrogen 3.026 N/A UNK 389.A N UNK 385.A O no hydrogen 2.682 N/A UNK 390.A N UNK 386.A O no hydrogen 2.998 N/A UNK 391.A N UNK 387.A O no hydrogen 3.247 N/A UNK 392.A N UNK 388.A O no hydrogen 3.036 N/A UNK 393.A N UNK 389.A O no hydrogen 3.006 N/A UNK 394.A N UNK 391.A O no hydrogen 3.122 N/A UNK 395.A N UNK 391.A O no hydrogen 2.550 N/A UNK 396.A N UNK 391.A O no hydrogen 3.433 N/A UNK 397.A N UNK 392.A O no hydrogen 2.630 N/A UNK 400.A N UNK 397.A O no hydrogen 3.209 N/A UNK 401.A N UNK 393.A O no hydrogen 3.049 N/A UNK 402.A N UNK 398.A O no hydrogen 3.135 N/A UNK 403.A N UNK 400.A O no hydrogen 3.232 N/A UNK 417.A N UNK 413.A O no hydrogen 2.699 N/A UNK 418.A N UNK 414.A O no hydrogen 2.733 N/A UNK 419.A N UNK 415.A O no hydrogen 3.076 N/A UNK 420.A N UNK 416.A O no hydrogen 3.094 N/A UNK 421.A N UNK 417.A O no hydrogen 3.338 N/A UNK 421.A N UNK 418.A O no hydrogen 3.105 N/A UNK 423.A N UNK 419.A O no hydrogen 3.101 N/A UNK 424.A N UNK 420.A O no hydrogen 3.085 N/A UNK 425.A N UNK 421.A O no hydrogen 3.169 N/A UNK 426.A N UNK 422.A O no hydrogen 2.960 N/A UNK 429.A N UNK 423.A O no hydrogen 3.154 N/A UNK 430.A N UNK 404.A O no hydrogen 3.209 N/A UNK 431.A N UNK 404.A O no hydrogen 3.037 N/A UNK 433.A N UNK 406.A O no hydrogen 2.768 N/A UNK 439.A N UNK 435.A O no hydrogen 3.089 N/A UNK 439.A N UNK 436.A O no hydrogen 3.019 N/A UNK 441.A N UNK 438.A O no hydrogen 2.843 N/A UNK 448.A N UNK 445.A O no hydrogen 3.436 N/A UNK 449.A N UNK 375.A O no hydrogen 3.331 N/A UNK 450.A N UNK 375.A O no hydrogen 2.634 N/A UNK 451.A N UNK 480.A O no hydrogen 3.252 N/A UNK 452.A N UNK 377.A O no hydrogen 2.522 N/A UNK 454.A N UNK 379.A O no hydrogen 2.772 N/A UNK 462.A N UNK 459.A O no hydrogen 3.150 N/A UNK 463.A N UNK 459.A O no hydrogen 3.089 N/A UNK 464.A N UNK 460.A O no hydrogen 3.218 N/A UNK 465.A N UNK 462.A O no hydrogen 3.286 N/A UNK 467.A N UNK 463.A O no hydrogen 3.179 N/A UNK 468.A N UNK 464.A O no hydrogen 2.915 N/A UNK 469.A N UNK 465.A O no hydrogen 3.343 N/A UNK 470.A N UNK 466.A O no hydrogen 3.102 N/A UNK 471.A N UNK 467.A O no hydrogen 2.924 N/A UNK 472.A N UNK 469.A O no hydrogen 3.239 N/A UNK 475.A N UNK 472.A O no hydrogen 2.945 N/A UNK 481.A N UNK 300.A O no hydrogen 3.184 N/A UNK 482.A N UNK 451.A O no hydrogen 2.982 N/A UNK 483.A N UNK 302.A O no hydrogen 3.003 N/A UNK 485.A N UNK 304.A O no hydrogen 2.626 N/A UNK 487.A N UNK 306.A O no hydrogen 3.289 N/A UNK 492.A N UNK 489.A O no hydrogen 3.051 N/A UNK 494.A N UNK 490.A O no hydrogen 2.989 N/A UNK 495.A N UNK 491.A O no hydrogen 2.959 N/A UNK 496.A N UNK 492.A O no hydrogen 3.258 N/A UNK 497.A N UNK 493.A O no hydrogen 3.085 N/A UNK 498.A N UNK 494.A O no hydrogen 3.231 N/A UNK 499.A N UNK 495.A O no hydrogen 3.229 N/A UNK 500.A N UNK 496.A O no hydrogen 2.662 N/A UNK 501.A N UNK 497.A O no hydrogen 2.936 N/A UNK 501.A N UNK 498.A O no hydrogen 3.200 N/A UNK 502.A N UNK 499.A O no hydrogen 3.032 N/A