Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4cat_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): UNK 5.A N UNK 3.A O no hydrogen 2.658 N/A UNK 20.A N UNK 16.A O no hydrogen 3.254 N/A UNK 22.A N UNK 14.A O no hydrogen 2.767 N/A UNK 30.A N UNK 35.A O no hydrogen 2.959 N/A UNK 37.A N UNK 28.A O no hydrogen 3.226 N/A UNK 43.A N UNK 40.A O no hydrogen 2.403 N/A UNK 44.A N UNK 40.A O no hydrogen 3.370 N/A UNK 45.A N UNK 41.A O no hydrogen 3.083 N/A UNK 46.A N UNK 42.A O no hydrogen 3.297 N/A UNK 47.A N UNK 43.A O no hydrogen 2.737 N/A UNK 48.A N UNK 44.A O no hydrogen 2.601 N/A UNK 50.A N UNK 46.A O no hydrogen 3.115 N/A UNK 51.A N UNK 47.A O no hydrogen 2.717 N/A UNK 63.A N UNK 103.A O no hydrogen 3.291 N/A UNK 68.A N UNK 302.A O no hydrogen 3.253 N/A UNK 73.A N UNK 90.A O no hydrogen 3.250 N/A UNK 78.A N UNK 76.A O no hydrogen 2.126 N/A UNK 81.A N UNK 77.A O no hydrogen 2.815 N/A UNK 82.A N UNK 207.A O no hydrogen 3.078 N/A UNK 87.A N UNK 84.A O no hydrogen 3.075 N/A UNK 92.A N UNK 71.A O no hydrogen 3.282 N/A UNK 96.A N UNK 67.A O no hydrogen 3.487 N/A UNK 106.A N UNK 104.A O no hydrogen 2.254 N/A UNK 109.A N UNK 107.A O no hydrogen 2.904 N/A UNK 114.A N UNK 99.A O no hydrogen 2.721 N/A UNK 116.A N UNK 97.A O no hydrogen 3.270 N/A UNK 125.A N UNK 119.A O no hydrogen 2.233 N/A UNK 129.A N UNK 115.A O no hydrogen 3.131 N/A UNK 131.A N UNK 113.A O no hydrogen 3.215 N/A UNK 141.A N UNK 139.A O no hydrogen 2.146 N/A UNK 144.A N UNK 141.A O no hydrogen 2.121 N/A UNK 145.A N UNK 141.A O no hydrogen 3.182 N/A UNK 148.A N UNK 144.A O no hydrogen 3.277 N/A UNK 149.A N UNK 145.A O no hydrogen 2.774 N/A UNK 150.A N UNK 146.A O no hydrogen 2.157 N/A UNK 170.A N UNK 167.A O no hydrogen 3.248 N/A UNK 171.A N UNK 167.A O no hydrogen 2.937 N/A UNK 172.A N UNK 168.A O no hydrogen 2.687 N/A UNK 173.A N UNK 169.A O no hydrogen 3.079 N/A UNK 180.A N UNK 177.A O no hydrogen 3.062 N/A UNK 181.A N UNK 177.A O no hydrogen 3.302 N/A UNK 182.A N UNK 178.A O no hydrogen 3.446 N/A UNK 183.A N UNK 179.A O no hydrogen 3.221 N/A UNK 183.A N UNK 180.A O no hydrogen 2.412 N/A UNK 184.A N UNK 180.A O no hydrogen 2.551 N/A UNK 187.A N UNK 182.A O no hydrogen 3.375 N/A UNK 190.A N UNK 187.A O no hydrogen 2.423 N/A UNK 191.A N UNK 227.A O no hydrogen 2.881 N/A UNK 195.A N UNK 192.A O no hydrogen 2.967 N/A UNK 205.A N UNK 326.A O no hydrogen 2.821 N/A UNK 206.A N UNK 214.A O no hydrogen 2.707 N/A UNK 214.A N UNK 206.A O no hydrogen 3.248 N/A UNK 216.A N UNK 204.A O no hydrogen 2.513 N/A UNK 217.A N UNK 265.A O no hydrogen 3.349 N/A UNK 221.A N UNK 262.A O no hydrogen 1.999 N/A UNK 223.A N UNK 260.A O no hydrogen 3.438 N/A UNK 234.A N UNK 231.A O no hydrogen 2.876 N/A UNK 235.A N UNK 231.A O no hydrogen 2.443 N/A UNK 237.A N UNK 233.A O no hydrogen 3.358 N/A UNK 242.A N UNK 240.A O no hydrogen 3.104 N/A UNK 248.A N UNK 245.A O no hydrogen 3.131 N/A UNK 249.A N UNK 245.A O no hydrogen 3.170 N/A UNK 250.A N UNK 246.A O no hydrogen 3.163 N/A UNK 253.A N UNK 249.A O no hydrogen 3.139 N/A UNK 253.A N UNK 250.A O no hydrogen 2.923 N/A UNK 262.A N UNK 221.A O no hydrogen 2.137 N/A UNK 271.A N UNK 268.A O no hydrogen 2.247 N/A UNK 279.A N UNK 272.A O no hydrogen 2.930 N/A UNK 289.A N UNK 287.A O no hydrogen 1.901 N/A UNK 293.A N UNK 264.A O no hydrogen 2.603 N/A UNK 300.A N UNK 259.A O no hydrogen 2.950 N/A UNK 310.A N UNK 307.A O no hydrogen 2.063 N/A UNK 311.A N UNK 307.A O no hydrogen 3.340 N/A UNK 314.A N UNK 311.A O no hydrogen 3.239 N/A UNK 325.A N UNK 323.A O no hydrogen 2.685 N/A UNK 331.A N UNK 329.A O no hydrogen 2.908 N/A UNK 334.A N UNK 330.A O no hydrogen 2.823 N/A UNK 336.A N UNK 333.A O no hydrogen 3.043 N/A UNK 338.A N UNK 335.A O no hydrogen 2.284 N/A UNK 342.A N UNK 338.A O no hydrogen 3.213 N/A UNK 344.A N UNK 341.A O no hydrogen 3.357 N/A UNK 345.A N UNK 342.A O no hydrogen 2.679 N/A UNK 406.A N UNK 403.A O no hydrogen 3.360 N/A UNK 421.A N UNK 419.A O no hydrogen 2.670 N/A UNK 428.A N UNK 425.A O no hydrogen 2.906 N/A UNK 430.A N UNK 426.A O no hydrogen 3.486 N/A UNK 431.A N UNK 428.A O no hydrogen 2.179 N/A UNK 439.A N UNK 435.A O no hydrogen 2.781 N/A UNK 440.A N UNK 436.A O no hydrogen 2.937 N/A UNK 441.A N UNK 437.A O no hydrogen 2.630 N/A UNK 442.A N UNK 438.A O no hydrogen 3.007 N/A UNK 443.A N UNK 439.A O no hydrogen 2.629 N/A UNK 444.A N UNK 440.A O no hydrogen 2.774 N/A UNK 445.A N UNK 441.A O no hydrogen 2.812 N/A UNK 447.A N UNK 444.A O no hydrogen 1.957 N/A UNK 448.A N UNK 445.A O no hydrogen 2.881 N/A UNK 449.A N UNK 445.A O no hydrogen 3.034 N/A UNK 450.A N UNK 446.A O no hydrogen 2.408 N/A UNK 451.A N UNK 448.A O no hydrogen 2.838 N/A UNK 453.A N UNK 450.A O no hydrogen 2.759 N/A UNK 459.A N UNK 455.A O no hydrogen 3.379 N/A UNK 460.A N UNK 456.A O no hydrogen 2.850 N/A UNK 461.A N UNK 457.A O no hydrogen 2.803 N/A UNK 464.A N UNK 461.A O no hydrogen 2.262 N/A UNK 467.A N UNK 463.A O no hydrogen 3.060 N/A UNK 468.A N UNK 464.A O no hydrogen 3.165 N/A UNK 469.A N UNK 466.A O no hydrogen 2.197 N/A UNK 470.A N UNK 466.A O no hydrogen 3.150 N/A UNK 474.A N UNK 470.A O no hydrogen 3.008 N/A UNK 477.A N UNK 473.A O no hydrogen 3.038 N/A UNK 478.A N UNK 474.A O no hydrogen 2.591 N/A UNK 479.A N UNK 476.A O no hydrogen 3.280 N/A UNK 491.A N UNK 489.A O no hydrogen 2.112 N/A UNK 492.A N UNK 489.A O no hydrogen 2.944 N/A UNK 493.A N UNK 491.A O no hydrogen 2.545 N/A UNK 513.A N UNK 540.A O no hydrogen 2.283 N/A UNK 515.A N UNK 542.A O no hydrogen 3.108 N/A UNK 517.A N UNK 544.A O no hydrogen 3.015 N/A UNK 524.A N UNK 521.A O no hydrogen 3.406 N/A UNK 526.A N UNK 523.A O no hydrogen 3.185 N/A UNK 527.A N UNK 524.A O no hydrogen 2.148 N/A UNK 530.A N UNK 526.A O no hydrogen 3.004 N/A UNK 531.A N UNK 527.A O no hydrogen 2.431 N/A UNK 532.A N UNK 528.A O no hydrogen 2.638 N/A UNK 533.A N UNK 531.A O no hydrogen 2.860 N/A UNK 534.A N UNK 531.A O no hydrogen 3.011 N/A UNK 537.A N UNK 534.A O no hydrogen 2.351 N/A UNK 540.A N UNK 511.A O no hydrogen 3.108 N/A UNK 542.A N UNK 513.A O no hydrogen 3.390 N/A UNK 544.A N UNK 515.A O no hydrogen 3.130 N/A UNK 545.A N UNK 553.A O no hydrogen 3.084 N/A UNK 566.A N UNK 514.A O no hydrogen 2.666 N/A UNK 567.A N UNK 610.A O no hydrogen 2.814 N/A UNK 580.A N UNK 577.A O no hydrogen 2.415 N/A UNK 582.A N UNK 580.A O no hydrogen 2.807 N/A UNK 598.A N UNK 594.A O no hydrogen 3.006 N/A UNK 598.A N UNK 595.A O no hydrogen 2.587 N/A UNK 600.A N UNK 596.A O no hydrogen 2.754 N/A UNK 601.A N UNK 597.A O no hydrogen 2.616 N/A UNK 602.A N UNK 598.A O no hydrogen 3.090 N/A UNK 603.A N UNK 599.A O no hydrogen 3.307 N/A UNK 604.A N UNK 600.A O no hydrogen 2.450 N/A UNK 615.A N UNK 568.A O no hydrogen 2.765 N/A UNK 616.A N UNK 613.A O no hydrogen 2.350 N/A UNK 617.A N UNK 614.A O no hydrogen 2.654 N/A UNK 619.A N UNK 615.A O no hydrogen 3.309 N/A UNK 620.A N UNK 617.A O no hydrogen 2.359 N/A UNK 621.A N UNK 618.A O no hydrogen 2.660 N/A UNK 623.A N UNK 619.A O no hydrogen 2.682 N/A UNK 630.A N UNK 609.A O no hydrogen 3.176 N/A UNK 632.A N UNK 611.A O no hydrogen 2.937 N/A UNK 641.A N UNK 637.A O no hydrogen 2.376 N/A UNK 642.A N UNK 638.A O no hydrogen 2.477 N/A UNK 643.A N UNK 639.A O no hydrogen 3.070 N/A UNK 645.A N UNK 642.A O no hydrogen 2.520 N/A UNK 646.A N UNK 642.A O no hydrogen 3.110 N/A UNK 647.A N UNK 643.A O no hydrogen 3.199 N/A UNK 650.A N UNK 648.A O no hydrogen 2.160 N/A UNK 651.A N UNK 648.A O no hydrogen 2.747 N/A