Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ce4_z.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): UNK 6.A N UNK 2.A O no hydrogen 2.931 N/A UNK 7.A N UNK 3.A O no hydrogen 2.935 N/A UNK 8.A N UNK 4.A O no hydrogen 2.925 N/A UNK 9.A N UNK 5.A O no hydrogen 2.931 N/A UNK 10.A N UNK 6.A O no hydrogen 2.951 N/A UNK 16.A N UNK 12.A O no hydrogen 3.284 N/A UNK 17.A N UNK 13.A O no hydrogen 2.942 N/A UNK 18.A N UNK 14.A O no hydrogen 2.926 N/A UNK 19.A N UNK 15.A O no hydrogen 2.924 N/A UNK 20.A N UNK 16.A O no hydrogen 2.927 N/A UNK 21.A N UNK 17.A O no hydrogen 2.943 N/A UNK 22.A N UNK 18.A O no hydrogen 2.942 N/A UNK 23.A N UNK 19.A O no hydrogen 2.933 N/A UNK 24.A N UNK 20.A O no hydrogen 2.935 N/A UNK 25.A N UNK 21.A O no hydrogen 2.937 N/A UNK 26.A N UNK 22.A O no hydrogen 2.948 N/A UNK 27.A N UNK 23.A O no hydrogen 3.032 N/A UNK 32.A N UNK 28.A O no hydrogen 3.323 N/A UNK 33.A N UNK 29.A O no hydrogen 2.938 N/A UNK 34.A N UNK 30.A O no hydrogen 2.930 N/A UNK 35.A N UNK 31.A O no hydrogen 2.926 N/A UNK 36.A N UNK 32.A O no hydrogen 2.933 N/A UNK 37.A N UNK 33.A O no hydrogen 2.946 N/A UNK 38.A N UNK 34.A O no hydrogen 2.940 N/A UNK 39.A N UNK 35.A O no hydrogen 2.931 N/A UNK 40.A N UNK 36.A O no hydrogen 2.935 N/A UNK 41.A N UNK 37.A O no hydrogen 2.950 N/A UNK 42.A N UNK 38.A O no hydrogen 2.947 N/A UNK 43.A N UNK 39.A O no hydrogen 2.929 N/A UNK 44.A N UNK 40.A O no hydrogen 2.934 N/A UNK 45.A N UNK 41.A O no hydrogen 2.950 N/A UNK 46.A N UNK 42.A O no hydrogen 2.947 N/A UNK 47.A N UNK 43.A O no hydrogen 2.928 N/A UNK 48.A N UNK 44.A O no hydrogen 2.933 N/A UNK 49.A N UNK 45.A O no hydrogen 2.946 N/A UNK 50.A N UNK 46.A O no hydrogen 2.947 N/A UNK 51.A N UNK 47.A O no hydrogen 2.934 N/A UNK 52.A N UNK 48.A O no hydrogen 2.930 N/A UNK 53.A N UNK 49.A O no hydrogen 2.939 N/A UNK 54.A N UNK 50.A O no hydrogen 2.947 N/A UNK 55.A N UNK 51.A O no hydrogen 2.947 N/A UNK 56.A N UNK 52.A O no hydrogen 2.922 N/A UNK 57.A N UNK 54.A O no hydrogen 3.131 N/A UNK 58.A N UNK 54.A O no hydrogen 2.947 N/A UNK 59.A N UNK 55.A O no hydrogen 2.949 N/A UNK 60.A N UNK 56.A O no hydrogen 2.920 N/A UNK 61.A N UNK 58.A O no hydrogen 2.968 N/A UNK 62.A N UNK 58.A O no hydrogen 2.977 N/A UNK 63.A N UNK 59.A O no hydrogen 2.928 N/A UNK 64.A N UNK 61.A O no hydrogen 3.042 N/A UNK 65.A N UNK 61.A O no hydrogen 2.972 N/A UNK 65.A N UNK 62.A O no hydrogen 3.191 N/A UNK 66.A N UNK 62.A O no hydrogen 2.995 N/A UNK 67.A N UNK 63.A O no hydrogen 2.910 N/A UNK 68.A N UNK 65.A O no hydrogen 2.953 N/A UNK 69.A N UNK 65.A O no hydrogen 2.983 N/A UNK 70.A N UNK 66.A O no hydrogen 2.966 N/A UNK 71.A N UNK 67.A O no hydrogen 2.888 N/A UNK 72.A N UNK 68.A O no hydrogen 2.936 N/A UNK 73.A N UNK 69.A O no hydrogen 2.970 N/A UNK 74.A N UNK 70.A O no hydrogen 2.942 N/A UNK 75.A N UNK 71.A O no hydrogen 2.905 N/A UNK 76.A N UNK 72.A O no hydrogen 2.937 N/A UNK 77.A N UNK 73.A O no hydrogen 2.947 N/A UNK 78.A N UNK 74.A O no hydrogen 2.939 N/A UNK 79.A N UNK 75.A O no hydrogen 3.034 N/A UNK 85.A N UNK 81.A O no hydrogen 2.928 N/A UNK 86.A N UNK 82.A O no hydrogen 2.929 N/A UNK 87.A N UNK 83.A O no hydrogen 2.939 N/A UNK 88.A N UNK 84.A O no hydrogen 2.952 N/A UNK 89.A N UNK 85.A O no hydrogen 2.937 N/A UNK 90.A N UNK 86.A O no hydrogen 2.967 N/A UNK 91.A N UNK 87.A O no hydrogen 2.995 N/A UNK 92.A N UNK 88.A O no hydrogen 2.915 N/A UNK 93.A N UNK 89.A O no hydrogen 2.954 N/A UNK 94.A N UNK 90.A O no hydrogen 3.071 N/A UNK 95.A N UNK 91.A O no hydrogen 2.980 N/A UNK 96.A N UNK 92.A O no hydrogen 2.906 N/A UNK 97.A N UNK 93.A O no hydrogen 2.938 N/A UNK 98.A N UNK 94.A O no hydrogen 3.041 N/A UNK 99.A N UNK 95.A O no hydrogen 2.962 N/A UNK 100.A N UNK 96.A O no hydrogen 2.925 N/A UNK 101.A N UNK 97.A O no hydrogen 2.941 N/A UNK 102.A N UNK 98.A O no hydrogen 2.967 N/A UNK 103.A N UNK 99.A O no hydrogen 2.944 N/A UNK 104.A N UNK 100.A O no hydrogen 2.935 N/A UNK 105.A N UNK 101.A O no hydrogen 2.933 N/A UNK 106.A N UNK 102.A O no hydrogen 2.942 N/A UNK 107.A N UNK 103.A O no hydrogen 2.938 N/A UNK 108.A N UNK 104.A O no hydrogen 2.937 N/A UNK 109.A N UNK 105.A O no hydrogen 3.353 N/A UNK 115.A N UNK 111.A O no hydrogen 2.901 N/A UNK 116.A N UNK 112.A O no hydrogen 2.943 N/A UNK 117.A N UNK 113.A O no hydrogen 2.938 N/A UNK 118.A N UNK 114.A O no hydrogen 2.914 N/A UNK 119.A N UNK 115.A O no hydrogen 2.930 N/A UNK 120.A N UNK 116.A O no hydrogen 2.958 N/A UNK 121.A N UNK 117.A O no hydrogen 2.946 N/A UNK 122.A N UNK 118.A O no hydrogen 2.917 N/A UNK 123.A N UNK 119.A O no hydrogen 2.947 N/A UNK 124.A N UNK 120.A O no hydrogen 2.961 N/A UNK 125.A N UNK 121.A O no hydrogen 2.937 N/A UNK 126.A N UNK 122.A O no hydrogen 2.924 N/A UNK 127.A N UNK 123.A O no hydrogen 2.951 N/A UNK 128.A N UNK 124.A O no hydrogen 2.946 N/A UNK 129.A N UNK 125.A O no hydrogen 2.930 N/A UNK 130.A N UNK 126.A O no hydrogen 2.928 N/A UNK 131.A N UNK 127.A O no hydrogen 2.945 N/A UNK 139.A N UNK 135.A O no hydrogen 2.941 N/A UNK 140.A N UNK 136.A O no hydrogen 2.921 N/A UNK 141.A N UNK 137.A O no hydrogen 2.932 N/A UNK 142.A N UNK 138.A O no hydrogen 2.948 N/A UNK 143.A N UNK 139.A O no hydrogen 2.960 N/A UNK 144.A N UNK 140.A O no hydrogen 2.907 N/A UNK 145.A N UNK 141.A O no hydrogen 2.937 N/A UNK 146.A N UNK 142.A O no hydrogen 2.949 N/A UNK 147.A N UNK 143.A O no hydrogen 2.952 N/A UNK 148.A N UNK 144.A O no hydrogen 2.931 N/A UNK 149.A N UNK 145.A O no hydrogen 2.933 N/A UNK 150.A N UNK 146.A O no hydrogen 2.944 N/A UNK 151.A N UNK 147.A O no hydrogen 2.950 N/A UNK 152.A N UNK 148.A O no hydrogen 2.945 N/A UNK 153.A N UNK 149.A O no hydrogen 2.931 N/A UNK 154.A N UNK 150.A O no hydrogen 2.941 N/A UNK 155.A N UNK 151.A O no hydrogen 2.951 N/A UNK 156.A N UNK 152.A O no hydrogen 2.947 N/A UNK 157.A N UNK 153.A O no hydrogen 2.932 N/A UNK 158.A N UNK 154.A O no hydrogen 2.939 N/A UNK 159.A N UNK 155.A O no hydrogen 2.950 N/A UNK 160.A N UNK 156.A O no hydrogen 2.947 N/A UNK 161.A N UNK 157.A O no hydrogen 2.936 N/A UNK 162.A N UNK 158.A O no hydrogen 2.937 N/A UNK 163.A N UNK 159.A O no hydrogen 2.946 N/A UNK 164.A N UNK 160.A O no hydrogen 2.945 N/A UNK 165.A N UNK 161.A O no hydrogen 2.938 N/A UNK 166.A N UNK 162.A O no hydrogen 2.937 N/A UNK 167.A N UNK 163.A O no hydrogen 2.938 N/A UNK 168.A N UNK 164.A O no hydrogen 2.938 N/A UNK 169.A N UNK 165.A O no hydrogen 2.941 N/A UNK 175.A N UNK 171.A O no hydrogen 3.329 N/A UNK 176.A N UNK 172.A O no hydrogen 2.936 N/A UNK 177.A N UNK 173.A O no hydrogen 2.929 N/A UNK 178.A N UNK 174.A O no hydrogen 2.929 N/A UNK 179.A N UNK 175.A O no hydrogen 2.934 N/A UNK 180.A N UNK 176.A O no hydrogen 2.941 N/A UNK 181.A N UNK 177.A O no hydrogen 2.935 N/A UNK 182.A N UNK 178.A O no hydrogen 2.932 N/A UNK 183.A N UNK 179.A O no hydrogen 2.936 N/A UNK 184.A N UNK 180.A O no hydrogen 2.942 N/A UNK 190.A N UNK 186.A O no hydrogen 3.312 N/A UNK 191.A N UNK 187.A O no hydrogen 2.928 N/A UNK 192.A N UNK 188.A O no hydrogen 2.926 N/A UNK 193.A N UNK 189.A O no hydrogen 2.930 N/A UNK 194.A N UNK 190.A O no hydrogen 2.931 N/A UNK 195.A N UNK 191.A O no hydrogen 2.932 N/A UNK 196.A N UNK 192.A O no hydrogen 2.936 N/A UNK 197.A N UNK 193.A O no hydrogen 2.942 N/A UNK 198.A N UNK 194.A O no hydrogen 2.935 N/A UNK 199.A N UNK 195.A O no hydrogen 2.933 N/A UNK 200.A N UNK 196.A O no hydrogen 2.941 N/A UNK 201.A N UNK 197.A O no hydrogen 2.938 N/A UNK 202.A N UNK 198.A O no hydrogen 2.937 N/A UNK 203.A N UNK 199.A O no hydrogen 2.936 N/A UNK 204.A N UNK 200.A O no hydrogen 2.943 N/A UNK 210.A N UNK 206.A O no hydrogen 3.435 N/A UNK 211.A N UNK 207.A O no hydrogen 2.935 N/A UNK 212.A N UNK 208.A O no hydrogen 2.939 N/A UNK 213.A N UNK 209.A O no hydrogen 2.942 N/A UNK 214.A N UNK 210.A O no hydrogen 2.925 N/A UNK 215.A N UNK 211.A O no hydrogen 2.926 N/A UNK 216.A N UNK 212.A O no hydrogen 2.947 N/A UNK 217.A N UNK 213.A O no hydrogen 2.949 N/A UNK 218.A N UNK 214.A O no hydrogen 2.926 N/A UNK 219.A N UNK 215.A O no hydrogen 2.925 N/A UNK 220.A N UNK 216.A O no hydrogen 2.948 N/A UNK 221.A N UNK 217.A O no hydrogen 2.945 N/A UNK 222.A N UNK 218.A O no hydrogen 2.925 N/A UNK 223.A N UNK 219.A O no hydrogen 2.931 N/A UNK 224.A N UNK 220.A O no hydrogen 2.945 N/A UNK 225.A N UNK 221.A O no hydrogen 2.940 N/A UNK 226.A N UNK 222.A O no hydrogen 2.929 N/A UNK 227.A N UNK 223.A O no hydrogen 2.936 N/A UNK 228.A N UNK 224.A O no hydrogen 2.939 N/A UNK 229.A N UNK 225.A O no hydrogen 2.938 N/A UNK 230.A N UNK 226.A O no hydrogen 2.940 N/A UNK 231.A N UNK 227.A O no hydrogen 2.942 N/A UNK 232.A N UNK 228.A O no hydrogen 2.936 N/A UNK 233.A N UNK 229.A O no hydrogen 2.936 N/A UNK 234.A N UNK 230.A O no hydrogen 2.937 N/A UNK 235.A N UNK 231.A O no hydrogen 2.944 N/A UNK 236.A N UNK 232.A O no hydrogen 2.942 N/A UNK 243.A N UNK 239.A O no hydrogen 2.932 N/A UNK 244.A N UNK 240.A O no hydrogen 2.931 N/A UNK 245.A N UNK 241.A O no hydrogen 2.933 N/A UNK 246.A N UNK 242.A O no hydrogen 2.930 N/A UNK 247.A N UNK 243.A O no hydrogen 2.931 N/A UNK 248.A N UNK 244.A O no hydrogen 2.933 N/A UNK 249.A N UNK 245.A O no hydrogen 2.938 N/A UNK 250.A N UNK 246.A O no hydrogen 2.939 N/A UNK 251.A N UNK 247.A O no hydrogen 3.290 N/A UNK 256.A N UNK 252.A O no hydrogen 3.375 N/A UNK 257.A N UNK 253.A O no hydrogen 2.936 N/A UNK 258.A N UNK 254.A O no hydrogen 2.935 N/A UNK 259.A N UNK 255.A O no hydrogen 2.935 N/A UNK 260.A N UNK 256.A O no hydrogen 2.939 N/A UNK 261.A N UNK 257.A O no hydrogen 2.940 N/A UNK 262.A N UNK 258.A O no hydrogen 2.937 N/A UNK 263.A N UNK 259.A O no hydrogen 2.944 N/A UNK 264.A N UNK 260.A O no hydrogen 2.945 N/A UNK 265.A N UNK 261.A O no hydrogen 2.942 N/A UNK 266.A N UNK 262.A O no hydrogen 2.944 N/A UNK 267.A N UNK 263.A O no hydrogen 2.946 N/A UNK 268.A N UNK 264.A O no hydrogen 2.940 N/A UNK 269.A N UNK 265.A O no hydrogen 2.936 N/A UNK 270.A N UNK 266.A O no hydrogen 2.937 N/A UNK 271.A N UNK 267.A O no hydrogen 2.943 N/A UNK 277.A N UNK 273.A O no hydrogen 3.369 N/A UNK 278.A N UNK 274.A O no hydrogen 2.937 N/A UNK 279.A N UNK 275.A O no hydrogen 2.932 N/A UNK 280.A N UNK 276.A O no hydrogen 2.927 N/A UNK 281.A N UNK 277.A O no hydrogen 2.932 N/A UNK 282.A N UNK 278.A O no hydrogen 2.941 N/A UNK 283.A N UNK 279.A O no hydrogen 2.942 N/A UNK 284.A N UNK 280.A O no hydrogen 2.939 N/A UNK 285.A N UNK 281.A O no hydrogen 2.937 N/A UNK 286.A N UNK 282.A O no hydrogen 2.941 N/A UNK 287.A N UNK 283.A O no hydrogen 2.940 N/A UNK 288.A N UNK 284.A O no hydrogen 2.935 N/A UNK 289.A N UNK 285.A O no hydrogen 2.933 N/A UNK 290.A N UNK 286.A O no hydrogen 2.937 N/A UNK 291.A N UNK 287.A O no hydrogen 2.944 N/A UNK 297.A N UNK 293.A O no hydrogen 3.361 N/A UNK 298.A N UNK 294.A O no hydrogen 2.936 N/A UNK 299.A N UNK 295.A O no hydrogen 2.930 N/A UNK 300.A N UNK 296.A O no hydrogen 2.931 N/A UNK 301.A N UNK 297.A O no hydrogen 2.935 N/A UNK 302.A N UNK 298.A O no hydrogen 2.941 N/A UNK 303.A N UNK 299.A O no hydrogen 2.940 N/A UNK 304.A N UNK 300.A O no hydrogen 2.944 N/A UNK 305.A N UNK 301.A O no hydrogen 2.940 N/A UNK 306.A N UNK 302.A O no hydrogen 2.950 N/A UNK 307.A N UNK 303.A O no hydrogen 2.934 N/A UNK 308.A N UNK 304.A O no hydrogen 2.936 N/A UNK 309.A N UNK 305.A O no hydrogen 2.933 N/A UNK 310.A N UNK 306.A O no hydrogen 2.941 N/A UNK 311.A N UNK 307.A O no hydrogen 2.939 N/A UNK 317.A N UNK 313.A O no hydrogen 3.242 N/A UNK 318.A N UNK 314.A O no hydrogen 2.936 N/A UNK 319.A N UNK 315.A O no hydrogen 2.928 N/A UNK 320.A N UNK 316.A O no hydrogen 2.927 N/A UNK 321.A N UNK 317.A O no hydrogen 2.943 N/A UNK 322.A N UNK 318.A O no hydrogen 2.947 N/A UNK 323.A N UNK 319.A O no hydrogen 2.941 N/A UNK 324.A N UNK 320.A O no hydrogen 2.943 N/A UNK 325.A N UNK 321.A O no hydrogen 2.923 N/A UNK 326.A N UNK 322.A O no hydrogen 2.948 N/A UNK 327.A N UNK 323.A O no hydrogen 2.939 N/A UNK 328.A N UNK 324.A O no hydrogen 2.940 N/A UNK 329.A N UNK 325.A O no hydrogen 2.936 N/A UNK 330.A N UNK 326.A O no hydrogen 2.936 N/A UNK 331.A N UNK 327.A O no hydrogen 2.936 N/A UNK 332.A N UNK 328.A O no hydrogen 2.941 N/A UNK 338.A N UNK 334.A O no hydrogen 3.384 N/A UNK 339.A N UNK 335.A O no hydrogen 2.932 N/A UNK 340.A N UNK 336.A O no hydrogen 2.928 N/A UNK 341.A N UNK 337.A O no hydrogen 2.930 N/A UNK 342.A N UNK 338.A O no hydrogen 2.929 N/A UNK 343.A N UNK 339.A O no hydrogen 2.934 N/A UNK 344.A N UNK 340.A O no hydrogen 2.933 N/A UNK 345.A N UNK 341.A O no hydrogen 2.939 N/A UNK 351.A N UNK 347.A O no hydrogen 3.298 N/A UNK 352.A N UNK 348.A O no hydrogen 2.936 N/A UNK 353.A N UNK 349.A O no hydrogen 2.929 N/A UNK 354.A N UNK 350.A O no hydrogen 2.928 N/A UNK 355.A N UNK 351.A O no hydrogen 2.932 N/A UNK 356.A N UNK 352.A O no hydrogen 2.935 N/A UNK 357.A N UNK 353.A O no hydrogen 2.932 N/A UNK 358.A N UNK 354.A O no hydrogen 2.937 N/A UNK 364.A N UNK 360.A O no hydrogen 3.298 N/A UNK 365.A N UNK 361.A O no hydrogen 2.930 N/A UNK 366.A N UNK 362.A O no hydrogen 2.931 N/A UNK 367.A N UNK 363.A O no hydrogen 2.934 N/A UNK 368.A N UNK 364.A O no hydrogen 2.934 N/A UNK 369.A N UNK 365.A O no hydrogen 2.933 N/A UNK 370.A N UNK 366.A O no hydrogen 2.940 N/A UNK 371.A N UNK 367.A O no hydrogen 2.951 N/A UNK 372.A N UNK 368.A O no hydrogen 2.929 N/A UNK 373.A N UNK 370.A O no hydrogen 3.177 N/A UNK 374.A N UNK 370.A O no hydrogen 2.948 N/A UNK 381.A N UNK 377.A O no hydrogen 3.345 N/A UNK 382.A N UNK 378.A O no hydrogen 2.934 N/A UNK 383.A N UNK 379.A O no hydrogen 2.932 N/A UNK 384.A N UNK 380.A O no hydrogen 2.930 N/A UNK 385.A N UNK 381.A O no hydrogen 2.931 N/A UNK 386.A N UNK 382.A O no hydrogen 2.939 N/A UNK 387.A N UNK 383.A O no hydrogen 2.943 N/A UNK 388.A N UNK 384.A O no hydrogen 2.937 N/A UNK 389.A N UNK 385.A O no hydrogen 2.932 N/A UNK 390.A N UNK 386.A O no hydrogen 2.935 N/A UNK 391.A N UNK 387.A O no hydrogen 2.943 N/A UNK 397.A N UNK 393.A O no hydrogen 3.324 N/A UNK 398.A N UNK 394.A O no hydrogen 2.940 N/A UNK 399.A N UNK 395.A O no hydrogen 2.937 N/A UNK 400.A N UNK 396.A O no hydrogen 2.929 N/A UNK 401.A N UNK 397.A O no hydrogen 2.931 N/A UNK 402.A N UNK 398.A O no hydrogen 2.950 N/A UNK 403.A N UNK 399.A O no hydrogen 2.950 N/A UNK 404.A N UNK 400.A O no hydrogen 2.934 N/A UNK 405.A N UNK 401.A O no hydrogen 2.934 N/A UNK 406.A N UNK 402.A O no hydrogen 2.942 N/A UNK 407.A N UNK 403.A O no hydrogen 2.945 N/A UNK 408.A N UNK 404.A O no hydrogen 3.355 N/A UNK 413.A N UNK 409.A O no hydrogen 3.260 N/A UNK 414.A N UNK 410.A O no hydrogen 2.931 N/A UNK 415.A N UNK 411.A O no hydrogen 2.931 N/A UNK 415.A N UNK 412.A O no hydrogen 3.301 N/A UNK 416.A N UNK 412.A O no hydrogen 2.948 N/A UNK 422.A N UNK 418.A O no hydrogen 3.383 N/A UNK 423.A N UNK 419.A O no hydrogen 2.924 N/A UNK 424.A N UNK 420.A O no hydrogen 2.924 N/A UNK 425.A N UNK 421.A O no hydrogen 2.926 N/A