9U0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | C16 | sing | 1.51Å | 1.50Å | |
| C17 | C18 | sing | 1.55Å | 1.53Å | |
| C16 | C15 | doub | 1.26Å | 1.47Å | |
| C18 | C19 | sing | 1.54Å | 1.55Å | |
| C15 | C14 | sing | 1.51Å | 1.48Å | |
| C19 | C20 | sing | 1.53Å | 1.56Å | |
| C14 | O13 | sing | 1.45Å | 1.45Å | |
| C14 | C21 | sing | 1.55Å | 1.55Å | |
| C20 | C21 | sing | 1.54Å | 1.57Å | |
| O13 | C11 | sing | 1.35Å | 1.45Å | |
| C11 | NZ | sing | 1.35Å | 1.50Å | |
| C11 | O12 | doub | 1.21Å | 1.16Å | |
| NZ | CE | sing | 1.46Å | 1.50Å | |
| CE | CD | sing | 1.53Å | 1.55Å | |
| CD | CG | sing | 1.53Å | 1.54Å | |
| CG | CB | sing | 1.53Å | 1.52Å | |
| N | CA | sing | 1.47Å | 1.47Å | |
| CB | CA | sing | 1.53Å | 1.52Å | |
| CA | C | sing | 1.51Å | 1.51Å | |
| C | O | doub | 1.21Å | 1.37Å | |
| C | OXT | sing | 1.34Å | 1.36Å | |
| C15 | HC15 | sing | 1.08Å | 1.08Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CG | HG2 | sing | 1.09Å | 1.10Å | |
| CG | HG3 | sing | 1.09Å | 1.10Å | |
| CD | HD2 | sing | 1.09Å | 1.10Å | |
| CD | HD3 | sing | 1.09Å | 1.10Å | |
| CE | HE2 | sing | 1.09Å | 1.10Å | |
| CE | HE3 | sing | 1.09Å | 1.10Å | |
| NZ | HZ | sing | 0.97Å | 1.00Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.08Å | 1.08Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| C19 | H29 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | C17 | C18 | 116.3° | 99.4° |
| C17 | C16 | C15 | 122.1° | 122.1° |
| C16 | C17 | H3 | 107.8° | 111.4° |
| C16 | C17 | H4 | 107.8° | 111.3° |
| C17 | C16 | H24 | 118.9° | 119.0° |
| C17 | C18 | C19 | 111.0° | 109.9° |
| C18 | C17 | H3 | 107.7° | 111.4° |
| C18 | C17 | H4 | 107.7° | 111.4° |
| C17 | C18 | H26 | 109.1° | 109.4° |
| C17 | C18 | H27 | 109.1° | 109.4° |
| C16 | C15 | C14 | 119.8° | 122.0° |
| C16 | C15 | HC15 | 120.1° | 119.0° |
| C15 | C16 | H24 | 119.0° | 118.9° |
| C18 | C19 | C20 | 119.3° | 111.3° |
| C19 | C18 | H26 | 109.1° | 109.4° |
| C19 | C18 | H27 | 109.1° | 109.4° |
| C18 | C19 | H28 | 107.0° | 109.0° |
| C18 | C19 | H29 | 107.0° | 109.1° |
| C15 | C14 | O13 | 108.4° | 111.4° |
| C15 | C14 | C21 | 104.4° | 99.5° |
| C14 | C15 | HC15 | 120.1° | 119.0° |
| C15 | C14 | H23 | 108.9° | 111.4° |
| C19 | C20 | C21 | 119.0° | 111.4° |
| C19 | C20 | H5 | 107.0° | 109.4° |
| C19 | C20 | H6 | 107.0° | 108.9° |
| C20 | C19 | H28 | 106.9° | 109.2° |
| C20 | C19 | H29 | 106.9° | 109.3° |
| O13 | C14 | C21 | 117.5° | 111.4° |
| C14 | O13 | C11 | 116.6° | 117.0° |
| O13 | C14 | H23 | 109.3° | 111.2° |
| C14 | C21 | C20 | 111.9° | 109.8° |
| C14 | C21 | H7 | 108.9° | 109.4° |
| C14 | C21 | H8 | 108.9° | 109.4° |
| C21 | C14 | H23 | 108.0° | 111.5° |
| C21 | C20 | H5 | 107.1° | 109.1° |
| C21 | C20 | H6 | 107.0° | 109.0° |
| C20 | C21 | H7 | 108.8° | 109.4° |
| C20 | C21 | H8 | 108.9° | 109.4° |
| O13 | C11 | NZ | 132.9° | 120.0° |
| O13 | C11 | O12 | 107.2° | 120.0° |
| NZ | C11 | O12 | 119.8° | 120.0° |
| C11 | NZ | CE | 120.7° | 120.0° |
| C11 | NZ | HZ | 119.7° | 119.9° |
| NZ | CE | CD | 111.8° | 109.4° |
| NZ | CE | HE2 | 108.9° | 109.5° |
| NZ | CE | HE3 | 108.9° | 109.5° |
| CE | NZ | HZ | 119.6° | 120.1° |
| CE | CD | CG | 114.7° | 109.4° |
| CE | CD | HD2 | 108.2° | 109.4° |
| CE | CD | HD3 | 108.1° | 109.5° |
| CD | CE | HE2 | 108.9° | 109.5° |
| CD | CE | HE3 | 108.9° | 109.5° |
| CD | CG | CB | 109.4° | 109.4° |
| CD | CG | HG2 | 109.5° | 109.4° |
| CD | CG | HG3 | 109.5° | 109.5° |
| CG | CD | HD2 | 108.1° | 109.5° |
| CG | CD | HD3 | 108.1° | 109.5° |
| CG | CB | CA | 112.9° | 109.5° |
| CG | CB | HB2 | 108.6° | 109.5° |
| CG | CB | HB3 | 108.6° | 109.5° |
| CB | CG | HG2 | 109.5° | 109.4° |
| CB | CG | HG3 | 109.5° | 109.5° |
| N | CA | CB | 109.2° | 109.5° |
| N | CA | C | 112.2° | 109.4° |
| N | CA | HA | 110.1° | 109.4° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.4° | 111.0° |
| CB | CA | C | 106.5° | 109.5° |
| CB | CA | HA | 109.3° | 109.5° |
| CA | CB | HB2 | 108.6° | 109.5° |
| CA | CB | HB3 | 108.6° | 109.5° |
| CA | C | O | 123.5° | 120.0° |
| CA | C | OXT | 115.7° | 120.0° |
| C | CA | HA | 109.4° | 109.5° |
| O | C | OXT | 120.8° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| H3 | C17 | H4 | 109.4° | 111.3° |
| H5 | C20 | H6 | 109.4° | 109.0° |
| H7 | C21 | H8 | 109.4° | 109.4° |
| H | N | H2 | 109.5° | 110.9° |
| HB2 | CB | HB3 | 109.5° | 109.5° |
| HG2 | CG | HG3 | 109.5° | 109.5° |
| HD2 | CD | HD3 | 109.4° | 109.4° |
| HE2 | CE | HE3 | 109.5° | 109.5° |
| H26 | C18 | H27 | 109.5° | 109.4° |
| H28 | C19 | H29 | 109.5° | 108.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | C17 | C18 | H3 | 121.0° | 117.5° |
| C16 | C17 | C18 | H4 | 121.0° | 117.5° |
| C17 | C16 | C15 | H24 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 74.6° | 53.4° |
| C17 | C16 | C15 | C14 | 100.5° | 145.9° |
| C17 | C16 | C15 | HC15 | 79.6° | 33.8° |
| C16 | C17 | H3 | H4 | 116.9° | 124.9° |
| C16 | C17 | C18 | H26 | 165.2° | 173.6° |
| C16 | C17 | C18 | H27 | 45.6° | 66.7° |
| C18 | C17 | C16 | C15 | 99.1° | 91.4° |
| C17 | C18 | C19 | H26 | 120.2° | 120.1° |
| C17 | C18 | C19 | H27 | 120.2° | 120.1° |
| C17 | C18 | C19 | C20 | 69.3° | 89.9° |
| C18 | C17 | H3 | H4 | 116.9° | 125.0° |
| C18 | C17 | C16 | H24 | 80.9° | 88.7° |
| C17 | C18 | H26 | H27 | 119.3° | 119.7° |
| C17 | C18 | C19 | H28 | 52.1° | 149.6° |
| C17 | C18 | C19 | H29 | 169.3° | 30.7° |
| C16 | C15 | C14 | HC15 | 180.0° | 179.6° |
| C16 | C15 | C14 | O13 | 152.4° | 152.8° |
| C16 | C15 | C14 | C21 | 81.6° | 89.7° |
| C15 | C16 | C17 | H3 | 21.9° | 26.2° |
| C15 | C16 | C17 | H4 | 139.9° | 151.1° |
| C16 | C15 | C14 | H23 | 33.6° | 28.0° |
| C18 | C19 | C20 | H28 | 121.4° | 120.4° |
| C18 | C19 | C20 | H29 | 121.4° | 120.6° |
| C18 | C19 | C20 | C21 | 90.8° | 128.0° |
| C19 | C18 | C17 | H3 | 46.4° | 64.1° |
| C19 | C18 | C17 | H4 | 164.4° | 170.9° |
| C18 | C19 | C20 | H5 | 147.8° | 7.4° |
| C18 | C19 | C20 | H6 | 30.5° | 111.7° |
| C19 | C18 | H26 | H27 | 119.3° | 119.9° |
| C18 | C19 | H28 | H29 | 115.6° | 118.9° |
| C15 | C14 | O13 | C21 | 118.0° | 110.1° |
| C15 | C14 | O13 | H23 | 118.5° | 124.9° |
| C15 | C14 | C21 | H23 | 115.8° | 117.6° |
| C15 | C14 | C21 | C20 | 85.3° | 53.5° |
| C15 | C14 | O13 | C11 | 170.0° | 90.0° |
| C15 | C14 | C21 | H7 | 154.4° | 66.6° |
| C15 | C14 | C21 | H8 | 35.1° | 173.6° |
| C14 | C15 | C16 | H24 | 79.5° | 34.2° |
| C19 | C20 | C21 | C14 | 103.8° | 91.3° |
| C19 | C20 | C21 | H5 | 121.3° | 120.9° |
| C19 | C20 | C21 | H6 | 121.4° | 120.2° |
| C19 | C20 | H5 | H6 | 115.7° | 119.0° |
| C19 | C20 | C21 | H7 | 135.8° | 28.8° |
| C19 | C20 | C21 | H8 | 16.6° | 148.7° |
| C20 | C19 | C18 | H26 | 170.5° | 150.0° |
| C20 | C19 | C18 | H27 | 50.9° | 30.1° |
| C20 | C19 | H28 | H29 | 115.5° | 119.3° |
| O13 | C14 | C21 | H23 | 124.2° | 124.9° |
| O13 | C14 | C21 | C20 | 154.7° | 171.0° |
| C14 | O13 | C11 | NZ | 72.3° | 180.0° |
| C14 | O13 | C11 | O12 | 108.0° | 0.1° |
| O13 | C14 | C15 | HC15 | 27.6° | 27.6° |
| O13 | C14 | C21 | H7 | 34.3° | 50.9° |
| O13 | C14 | C21 | H8 | 85.0° | 68.9° |
| C14 | C21 | C20 | H7 | 120.4° | 120.1° |
| C14 | C21 | C20 | H8 | 120.4° | 120.1° |
| C21 | C14 | O13 | C11 | 72.0° | 159.9° |
| C21 | C14 | C15 | HC15 | 98.4° | 90.0° |
| C14 | C21 | C20 | H5 | 134.9° | 29.6° |
| C14 | C21 | C20 | H6 | 17.6° | 148.5° |
| C14 | C21 | H7 | H8 | 118.9° | 119.8° |
| C21 | C20 | H5 | H6 | 115.7° | 118.9° |
| C20 | C21 | H7 | H8 | 118.9° | 119.8° |
| C20 | C21 | C14 | H23 | 30.5° | 64.1° |
| C21 | C20 | C19 | H28 | 30.6° | 111.6° |
| C21 | C20 | C19 | H29 | 147.7° | 7.5° |
| O13 | C11 | NZ | O12 | 179.7° | 179.9° |
| O13 | C11 | NZ | CE | 92.1° | 180.0° |
| O13 | C11 | NZ | HZ | 87.9° | 0.0° |
| C11 | O13 | C14 | H23 | 51.5° | 34.8° |
| C11 | NZ | CE | HZ | 180.0° | 180.0° |
| C11 | NZ | CE | CD | 178.4° | 180.0° |
| C11 | NZ | CE | HE2 | 61.2° | 60.0° |
| C11 | NZ | CE | HE3 | 58.1° | 60.0° |
| O12 | C11 | NZ | CE | 88.2° | 0.0° |
| O12 | C11 | NZ | HZ | 91.8° | 179.9° |
| NZ | CE | CD | HE2 | 120.4° | 120.0° |
| NZ | CE | CD | HE3 | 120.3° | 120.0° |
| NZ | CE | CD | CG | 172.3° | 180.0° |
| NZ | CE | CD | HD2 | 66.9° | 60.0° |
| NZ | CE | CD | HD3 | 51.5° | 60.0° |
| NZ | CE | HE2 | HE3 | 119.0° | 120.0° |
| CE | CD | CG | HD2 | 120.8° | 120.0° |
| CE | CD | CG | HD3 | 120.8° | 120.0° |
| CE | CD | CG | CB | 70.4° | NaN° |
| CE | CD | CG | HG2 | 49.6° | 60.1° |
| CE | CD | CG | HG3 | 169.6° | 60.0° |
| CE | CD | HD2 | HD3 | 117.6° | 120.0° |
| CD | CE | HE2 | HE3 | 118.9° | 120.0° |
| CD | CE | NZ | HZ | 1.6° | 0.0° |
| CD | CG | CB | HG2 | 120.0° | 119.9° |
| CD | CG | CB | HG3 | 120.0° | 120.0° |
| CD | CG | CB | CA | 165.8° | 179.9° |
| CD | CG | CB | HB2 | 45.3° | 60.0° |
| CD | CG | CB | HB3 | 73.6° | 60.0° |
| CD | CG | HG2 | HG3 | 120.0° | 120.0° |
| CG | CD | HD2 | HD3 | 117.6° | 120.1° |
| CG | CD | CE | HE2 | 51.9° | 60.0° |
| CG | CD | CE | HE3 | 67.4° | 60.0° |
| CG | CB | CA | N | 45.5° | 65.0° |
| CG | CB | CA | HB2 | 120.5° | 120.0° |
| CG | CB | CA | HB3 | 120.5° | 120.0° |
| CG | CB | CA | C | 166.9° | 175.0° |
| CG | CB | CA | HA | 75.0° | 54.9° |
| CG | CB | HB2 | HB3 | 118.4° | 120.0° |
| CB | CG | HG2 | HG3 | 120.1° | 120.1° |
| CB | CG | CD | HD2 | 168.8° | 60.0° |
| CB | CG | CD | HD3 | 50.4° | 60.0° |
| N | CA | CB | C | 121.4° | 120.0° |
| N | CA | CB | HA | 120.5° | 120.0° |
| N | CA | C | HA | 122.5° | 120.0° |
| N | CA | C | O | 18.3° | 20.0° |
| N | CA | C | OXT | 163.8° | 160.0° |
| CA | N | H | H2 | 120.0° | 123.9° |
| N | CA | CB | HB2 | 166.0° | 55.0° |
| N | CA | CB | HB3 | 75.0° | 175.0° |
| CB | CA | C | HA | 118.0° | 120.0° |
| CB | CA | C | O | 101.2° | 100.0° |
| CB | CA | C | OXT | 76.8° | 80.0° |
| CB | CA | N | H | 180.0° | 60.0° |
| CB | CA | N | H2 | 60.0° | 63.9° |
| CA | CB | HB2 | HB3 | 118.4° | 120.0° |
| CA | CB | CG | HG2 | 74.2° | 60.0° |
| CA | CB | CG | HG3 | 45.9° | 60.0° |
| CA | C | O | OXT | 177.8° | 180.0° |
| CA | C | OXT | HXT | 178.0° | 180.0° |
| C | CA | N | H | 62.1° | 60.0° |
| C | CA | N | H2 | 57.8° | 176.1° |
| C | CA | CB | HB2 | 72.6° | 65.0° |
| C | CA | CB | HB3 | 46.4° | 55.1° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| O | C | CA | HA | 140.8° | 140.0° |
| OXT | C | CA | HA | 41.3° | 40.0° |
| HC15 | C15 | C14 | H23 | 146.4° | 152.3° |
| HC15 | C15 | C16 | H24 | 100.4° | 146.2° |
| H3 | C17 | C16 | H24 | 158.1° | 153.8° |
| H3 | C17 | C18 | H26 | 73.8° | 56.0° |
| H3 | C17 | C18 | H27 | 166.7° | 175.8° |
| H4 | C17 | C16 | H24 | 40.1° | 28.9° |
| H4 | C17 | C18 | H26 | 44.2° | 69.0° |
| H4 | C17 | C18 | H27 | 75.3° | 50.8° |
| H5 | C20 | C21 | H7 | 14.5° | 149.7° |
| H5 | C20 | C21 | H8 | 104.7° | 90.5° |
| H5 | C20 | C19 | H28 | 90.8° | 127.7° |
| H5 | C20 | C19 | H29 | 26.4° | 113.2° |
| H6 | C20 | C21 | H7 | 102.8° | 91.4° |
| H6 | C20 | C21 | H8 | 138.0° | 28.5° |
| H6 | C20 | C19 | H28 | 151.9° | 8.7° |
| H6 | C20 | C19 | H29 | 90.9° | 127.7° |
| H7 | C21 | C14 | H23 | 89.9° | 175.8° |
| H8 | C21 | C14 | H23 | 150.9° | 56.0° |
| HA | CA | N | H | 60.0° | 179.9° |
| HA | CA | N | H2 | 180.0° | 56.0° |
| HA | CA | CB | HB2 | 45.5° | 174.9° |
| HA | CA | CB | HB3 | 164.5° | 65.0° |
| HB2 | CB | CG | HG2 | 165.3° | 179.9° |
| HB2 | CB | CG | HG3 | 74.6° | 60.0° |
| HB3 | CB | CG | HG2 | 46.3° | 60.0° |
| HB3 | CB | CG | HG3 | 166.4° | 180.0° |
| HG2 | CG | CD | HD2 | 71.2° | 180.0° |
| HG2 | CG | CD | HD3 | 170.4° | 59.9° |
| HG3 | CG | CD | HD2 | 48.8° | 60.0° |
| HG3 | CG | CD | HD3 | 69.6° | 180.0° |
| HD2 | CD | CE | HE2 | 172.7° | 180.0° |
| HD2 | CD | CE | HE3 | 53.4° | 60.0° |
| HD3 | CD | CE | HE2 | 68.9° | 60.1° |
| HD3 | CD | CE | HE3 | 171.9° | 180.0° |
| HE2 | CE | NZ | HZ | 118.8° | 120.0° |
| HE3 | CE | NZ | HZ | 121.9° | 120.0° |
| H26 | C18 | C19 | H28 | 68.2° | 29.5° |
| H26 | C18 | C19 | H29 | 49.1° | 89.3° |
| H27 | C18 | C19 | H28 | 172.3° | 90.4° |
| H27 | C18 | C19 | H29 | 70.5° | 150.8° |
