3IZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | O15 | sing | 1.43Å | 1.40Å | |
| O15 | C14 | sing | 1.43Å | 1.41Å | |
| C14 | C13 | sing | 1.53Å | 1.56Å | |
| C13 | O12 | sing | 1.43Å | 1.44Å | |
| O12 | C11 | sing | 1.43Å | 1.44Å | |
| C10 | C09 | sing | 1.53Å | 1.54Å | |
| C09 | C11 | sing | 1.53Å | 1.59Å | |
| C09 | O08 | sing | 1.43Å | 1.46Å | |
| O08 | C07 | sing | 1.43Å | 1.43Å | |
| C07 | C05 | sing | 1.53Å | 1.60Å | |
| N17 | C02 | sing | 1.47Å | 1.45Å | |
| C05 | C06 | sing | 1.53Å | 1.56Å | |
| C05 | O04 | sing | 1.43Å | 1.44Å | |
| C02 | C03 | sing | 1.53Å | 1.57Å | |
| C02 | C01 | sing | 1.53Å | 1.54Å | |
| O04 | C03 | sing | 1.43Å | 1.44Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C01 | H13 | sing | 1.09Å | 1.10Å | |
| C01 | H14 | sing | 1.09Å | 1.10Å | |
| C01 | H15 | sing | 1.09Å | 1.10Å | |
| C02 | H16 | sing | 1.09Å | 1.10Å | |
| C03 | H17 | sing | 1.09Å | 1.10Å | |
| C03 | H18 | sing | 1.09Å | 1.10Å | |
| C05 | H19 | sing | 1.09Å | 1.10Å | |
| C06 | H20 | sing | 1.09Å | 1.10Å | |
| C06 | H21 | sing | 1.09Å | 1.10Å | |
| C06 | H22 | sing | 1.09Å | 1.10Å | |
| C07 | H23 | sing | 1.09Å | 1.10Å | |
| C07 | H24 | sing | 1.09Å | 1.10Å | |
| C09 | H25 | sing | 1.09Å | 1.10Å | |
| N17 | H26 | sing | 1.01Å | 1.00Å | |
| N17 | H27 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | O15 | C14 | 114.0° | 114.0° |
| O15 | C16 | H10 | 109.5° | 109.5° |
| O15 | C16 | H11 | 109.5° | 109.4° |
| O15 | C16 | H12 | 109.5° | 109.4° |
| O15 | C14 | C13 | 108.4° | 109.5° |
| O15 | C14 | H8 | 109.7° | 109.5° |
| O15 | C14 | H9 | 109.8° | 109.4° |
| C14 | C13 | O12 | 107.7° | 109.4° |
| C14 | C13 | H4 | 109.9° | 109.4° |
| C14 | C13 | H5 | 109.9° | 109.5° |
| C13 | C14 | H8 | 109.7° | 109.5° |
| C13 | C14 | H9 | 109.7° | 109.5° |
| C13 | O12 | C11 | 116.6° | 114.0° |
| O12 | C13 | H4 | 109.9° | 109.5° |
| O12 | C13 | H5 | 109.9° | 109.5° |
| O12 | C11 | C09 | 108.9° | 109.5° |
| O12 | C11 | H6 | 109.7° | 109.5° |
| O12 | C11 | H7 | 109.7° | 109.5° |
| C10 | C09 | C11 | 112.0° | 109.5° |
| C10 | C09 | O08 | 109.2° | 109.5° |
| C09 | C10 | H1 | 109.5° | 109.5° |
| C09 | C10 | H2 | 109.5° | 109.5° |
| C09 | C10 | H3 | 109.5° | 109.5° |
| C10 | C09 | H25 | 108.0° | 109.4° |
| C11 | C09 | O08 | 111.2° | 109.5° |
| C09 | C11 | H6 | 109.6° | 109.4° |
| C09 | C11 | H7 | 109.6° | 109.4° |
| C11 | C09 | H25 | 107.3° | 109.5° |
| C09 | O08 | C07 | 118.8° | 114.0° |
| O08 | C09 | H25 | 109.0° | 109.5° |
| O08 | C07 | C05 | 109.5° | 109.5° |
| O08 | C07 | H23 | 109.5° | 109.5° |
| O08 | C07 | H24 | 109.5° | 109.5° |
| C07 | C05 | C06 | 112.6° | 109.4° |
| C07 | C05 | O04 | 107.9° | 109.5° |
| C07 | C05 | H19 | 107.9° | 109.5° |
| C05 | C07 | H23 | 109.4° | 109.4° |
| C05 | C07 | H24 | 109.5° | 109.5° |
| N17 | C02 | C03 | 110.3° | 109.5° |
| N17 | C02 | C01 | 108.7° | 109.5° |
| N17 | C02 | H16 | 109.4° | 109.4° |
| C02 | N17 | H26 | 109.5° | 111.0° |
| C02 | N17 | H27 | 109.5° | 111.0° |
| C06 | C05 | O04 | 109.9° | 109.4° |
| C06 | C05 | H19 | 108.5° | 109.5° |
| C05 | C06 | H20 | 109.5° | 109.5° |
| C05 | C06 | H21 | 109.5° | 109.5° |
| C05 | C06 | H22 | 109.5° | 109.5° |
| C05 | O04 | C03 | 116.5° | 114.0° |
| O04 | C05 | H19 | 110.0° | 109.5° |
| C03 | C02 | C01 | 112.4° | 109.5° |
| C02 | C03 | O04 | 111.4° | 109.5° |
| C03 | C02 | H16 | 107.8° | 109.5° |
| C02 | C03 | H17 | 109.0° | 109.5° |
| C02 | C03 | H18 | 109.0° | 109.5° |
| C02 | C01 | H13 | 109.5° | 109.5° |
| C02 | C01 | H14 | 109.4° | 109.4° |
| C02 | C01 | H15 | 109.5° | 109.5° |
| C01 | C02 | H16 | 108.2° | 109.5° |
| O04 | C03 | H17 | 109.0° | 109.5° |
| O04 | C03 | H18 | 109.0° | 109.5° |
| H1 | C10 | H2 | 109.5° | 109.4° |
| H1 | C10 | H3 | 109.4° | 109.5° |
| H2 | C10 | H3 | 109.5° | 109.4° |
| H4 | C13 | H5 | 109.5° | 109.5° |
| H6 | C11 | H7 | 109.4° | 109.5° |
| H8 | C14 | H9 | 109.4° | 109.5° |
| H10 | C16 | H11 | 109.4° | 109.5° |
| H10 | C16 | H12 | 109.5° | 109.5° |
| H11 | C16 | H12 | 109.4° | 109.5° |
| H13 | C01 | H14 | 109.4° | 109.4° |
| H13 | C01 | H15 | 109.5° | 109.5° |
| H14 | C01 | H15 | 109.5° | 109.5° |
| H17 | C03 | H18 | 109.5° | 109.5° |
| H20 | C06 | H21 | 109.5° | 109.4° |
| H20 | C06 | H22 | 109.5° | 109.5° |
| H21 | C06 | H22 | 109.5° | 109.4° |
| H23 | C07 | H24 | 109.5° | 109.5° |
| H26 | N17 | H27 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | O15 | C14 | C13 | 170.7° | 180.0° |
| C16 | O15 | C14 | H8 | 69.5° | 59.9° |
| C16 | O15 | C14 | H9 | 50.8° | 60.1° |
| O15 | C16 | H10 | H11 | 120.0° | 120.0° |
| O15 | C16 | H10 | H12 | 120.0° | 120.0° |
| O15 | C16 | H11 | H12 | 120.0° | 119.9° |
| O15 | C14 | C13 | H8 | 119.8° | 120.0° |
| O15 | C14 | C13 | H9 | 119.9° | 119.9° |
| O15 | C14 | C13 | O12 | 147.1° | 65.0° |
| O15 | C14 | C13 | H4 | 27.3° | 175.1° |
| O15 | C14 | C13 | H5 | 93.2° | 55.1° |
| O15 | C14 | H8 | H9 | 120.5° | 119.9° |
| C14 | O15 | C16 | H10 | 180.0° | 60.0° |
| C14 | O15 | C16 | H11 | 60.0° | 60.1° |
| C14 | O15 | C16 | H12 | 60.0° | 180.0° |
| C14 | C13 | O12 | H4 | 119.7° | 120.0° |
| C14 | C13 | O12 | H5 | 119.7° | 120.0° |
| C14 | C13 | O12 | C11 | 171.9° | 180.0° |
| C14 | C13 | H4 | H5 | 120.8° | 120.0° |
| C13 | C14 | H8 | H9 | 120.5° | 120.0° |
| C13 | O12 | C11 | C09 | 148.1° | 180.0° |
| O12 | C13 | H4 | H5 | 120.8° | 120.1° |
| C13 | O12 | C11 | H6 | 28.2° | 60.0° |
| C13 | O12 | C11 | H7 | 92.0° | 60.0° |
| O12 | C13 | C14 | H8 | 93.1° | 175.0° |
| O12 | C13 | C14 | H9 | 27.2° | 55.0° |
| O12 | C11 | C09 | C10 | 115.4° | 55.0° |
| O12 | C11 | C09 | H6 | 119.9° | 120.0° |
| O12 | C11 | C09 | H7 | 119.9° | 120.0° |
| O12 | C11 | C09 | O08 | 122.1° | 65.0° |
| C11 | O12 | C13 | H4 | 52.2° | 60.0° |
| C11 | O12 | C13 | H5 | 68.3° | 60.0° |
| O12 | C11 | H6 | H7 | 120.3° | 120.0° |
| O12 | C11 | C09 | H25 | 3.0° | 175.0° |
| C10 | C09 | C11 | O08 | 122.5° | 120.0° |
| C10 | C09 | C11 | H25 | 118.4° | 120.0° |
| C10 | C09 | O08 | H25 | 117.8° | 120.0° |
| C10 | C09 | O08 | C07 | 80.3° | 90.0° |
| C09 | C10 | H1 | H2 | 120.0° | 120.0° |
| C09 | C10 | H1 | H3 | 120.0° | 120.0° |
| C09 | C10 | H2 | H3 | 120.0° | 120.0° |
| C10 | C09 | C11 | H6 | 4.6° | 65.0° |
| C10 | C09 | C11 | H7 | 124.7° | 175.0° |
| C11 | C09 | O08 | H25 | 118.1° | 120.1° |
| C11 | C09 | O08 | C07 | 43.7° | 150.0° |
| C11 | C09 | C10 | H1 | 180.0° | 60.0° |
| C11 | C09 | C10 | H2 | 60.0° | 60.0° |
| C11 | C09 | C10 | H3 | 60.0° | 179.9° |
| C09 | C11 | H6 | H7 | 120.2° | 119.9° |
| C09 | O08 | C07 | C05 | 109.7° | 180.0° |
| O08 | C09 | C10 | H1 | 56.4° | 180.0° |
| O08 | C09 | C10 | H2 | 176.4° | 60.0° |
| O08 | C09 | C10 | H3 | 63.6° | 60.0° |
| O08 | C09 | C11 | H6 | 117.9° | 175.0° |
| O08 | C09 | C11 | H7 | 2.2° | 55.0° |
| C09 | O08 | C07 | H23 | 130.3° | 60.1° |
| C09 | O08 | C07 | H24 | 10.4° | 60.0° |
| O08 | C07 | C05 | H23 | 120.0° | 120.0° |
| O08 | C07 | C05 | H24 | 120.0° | 120.0° |
| O08 | C07 | C05 | C06 | 76.3° | 55.0° |
| O08 | C07 | C05 | O04 | 162.3° | 65.0° |
| O08 | C07 | C05 | H19 | 43.4° | 175.0° |
| O08 | C07 | H23 | H24 | 120.0° | 120.0° |
| C07 | O08 | C09 | H25 | 161.9° | 30.0° |
| C07 | C05 | C06 | O04 | 120.3° | 119.9° |
| C07 | C05 | C06 | H19 | 119.4° | 120.1° |
| C07 | C05 | O04 | H19 | 117.5° | 120.1° |
| C07 | C05 | O04 | C03 | 116.0° | 150.0° |
| C07 | C05 | C06 | H20 | 180.0° | 60.0° |
| C07 | C05 | C06 | H21 | 60.0° | 180.0° |
| C07 | C05 | C06 | H22 | 60.0° | 60.1° |
| C05 | C07 | H23 | H24 | 120.0° | 120.0° |
| N17 | C02 | C03 | C01 | 121.4° | 120.0° |
| N17 | C02 | C03 | H16 | 119.4° | 120.0° |
| N17 | C02 | C01 | H16 | 118.7° | 119.9° |
| N17 | C02 | C03 | O04 | 119.0° | 65.0° |
| N17 | C02 | C01 | H13 | 180.0° | 60.0° |
| N17 | C02 | C01 | H14 | 60.0° | 180.0° |
| N17 | C02 | C01 | H15 | 60.0° | 60.1° |
| N17 | C02 | C03 | H17 | 1.3° | 175.0° |
| N17 | C02 | C03 | H18 | 120.8° | 55.0° |
| C02 | N17 | H26 | H27 | 120.0° | 123.9° |
| C06 | C05 | O04 | H19 | 119.3° | 120.0° |
| C06 | C05 | O04 | C03 | 120.8° | 90.0° |
| C05 | C06 | H20 | H21 | 120.0° | 120.0° |
| C05 | C06 | H20 | H22 | 120.0° | 120.1° |
| C05 | C06 | H21 | H22 | 120.0° | 120.0° |
| C06 | C05 | C07 | H23 | 43.8° | 65.0° |
| C06 | C05 | C07 | H24 | 163.7° | 175.0° |
| C05 | O04 | C03 | C02 | 39.6° | 180.0° |
| C05 | O04 | C03 | H17 | 80.7° | 60.0° |
| C05 | O04 | C03 | H18 | 159.9° | 60.0° |
| O04 | C05 | C06 | H20 | 59.7° | 60.0° |
| O04 | C05 | C06 | H21 | 179.7° | 60.0° |
| O04 | C05 | C06 | H22 | 60.3° | 180.0° |
| O04 | C05 | C07 | H23 | 77.7° | 175.0° |
| O04 | C05 | C07 | H24 | 42.3° | 55.1° |
| C03 | C02 | C01 | H16 | 119.0° | 120.0° |
| C02 | C03 | O04 | H17 | 120.3° | 120.0° |
| C02 | C03 | O04 | H18 | 120.3° | 120.0° |
| C03 | C02 | C01 | H13 | 57.6° | 180.0° |
| C03 | C02 | C01 | H14 | 62.3° | 60.0° |
| C03 | C02 | C01 | H15 | 177.7° | 60.0° |
| C02 | C03 | H17 | H18 | 119.1° | 120.0° |
| C03 | C02 | N17 | H26 | 180.0° | 56.1° |
| C03 | C02 | N17 | H27 | 60.0° | 180.0° |
| C01 | C02 | C03 | O04 | 119.6° | 55.0° |
| C02 | C01 | H13 | H14 | 120.0° | 120.0° |
| C02 | C01 | H13 | H15 | 120.0° | 120.1° |
| C02 | C01 | H14 | H15 | 120.0° | 120.0° |
| C01 | C02 | C03 | H17 | 120.1° | 65.0° |
| C01 | C02 | C03 | H18 | 0.7° | 175.0° |
| C01 | C02 | N17 | H26 | 56.4° | 176.1° |
| C01 | C02 | N17 | H27 | 63.6° | 60.0° |
| O04 | C03 | C02 | H16 | 0.4° | 175.0° |
| O04 | C03 | H17 | H18 | 119.1° | 120.0° |
| C03 | O04 | C05 | H19 | 1.5° | 30.0° |
| H1 | C10 | H2 | H3 | 119.9° | 120.0° |
| H1 | C10 | C09 | H25 | 62.0° | 60.0° |
| H2 | C10 | C09 | H25 | 58.0° | 180.0° |
| H3 | C10 | C09 | H25 | 178.0° | 60.0° |
| H4 | C13 | C14 | H8 | 147.2° | 55.0° |
| H4 | C13 | C14 | H9 | 92.5° | 65.0° |
| H5 | C13 | C14 | H8 | 26.7° | 65.0° |
| H5 | C13 | C14 | H9 | 146.9° | 175.0° |
| H6 | C11 | C09 | H25 | 122.9° | 54.9° |
| H7 | C11 | C09 | H25 | 116.9° | 65.0° |
| H10 | C16 | H11 | H12 | 120.0° | 120.0° |
| H13 | C01 | H14 | H15 | 120.0° | 120.0° |
| H13 | C01 | C02 | H16 | 61.3° | 59.9° |
| H14 | C01 | C02 | H16 | 178.7° | 60.0° |
| H15 | C01 | C02 | H16 | 58.7° | 180.0° |
| H16 | C02 | C03 | H17 | 120.7° | 55.0° |
| H16 | C02 | C03 | H18 | 119.9° | 65.0° |
| H16 | C02 | N17 | H26 | 61.6° | 64.0° |
| H16 | C02 | N17 | H27 | 178.4° | 60.0° |
| H19 | C05 | C06 | H20 | 60.6° | 179.9° |
| H19 | C05 | C06 | H21 | 59.4° | 60.0° |
| H19 | C05 | C06 | H22 | 179.4° | 60.0° |
| H19 | C05 | C07 | H23 | 163.4° | 55.0° |
| H19 | C05 | C07 | H24 | 76.6° | 65.0° |
| H20 | C06 | H21 | H22 | 120.0° | 120.0° |
