5ZN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O20 | C19 | doub | 1.21Å | 1.23Å | |
| C19 | C21 | sing | 1.52Å | 1.45Å | |
| C19 | N18 | sing | 1.35Å | 1.40Å | |
| C21 | C1 | sing | 1.52Å | 1.36Å | |
| N18 | C16 | sing | 1.34Å | 1.38Å | |
| C1 | N15 | doub | 1.30Å | 1.37Å | |
| C1 | C2 | sing | 1.49Å | 1.51Å | |
| C16 | N15 | sing | 1.34Å | 1.38Å | |
| C16 | O17 | doub | 1.22Å | 1.22Å | |
| CL25 | C13 | sing | 1.74Å | 1.77Å | |
| O3 | C2 | doub | 1.21Å | 1.24Å | |
| C2 | N4 | sing | 1.35Å | 1.35Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C6 | N7 | sing | 1.47Å | 1.47Å | |
| C14 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C10 | sing | 1.39Å | 1.42Å | Aromatic |
| C13 | C22 | sing | 1.40Å | 1.41Å | Aromatic |
| N4 | C5 | sing | 1.47Å | 1.47Å | |
| N4 | C9 | sing | 1.47Å | 1.47Å | |
| N7 | C8 | sing | 1.47Å | 1.47Å | |
| N7 | C10 | sing | 1.39Å | 1.38Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | doub | 1.39Å | 1.42Å | Aromatic |
| C22 | C23 | sing | 1.47Å | 1.46Å | |
| C22 | C12 | doub | 1.40Å | 1.41Å | Aromatic |
| C23 | O24 | doub | 1.21Å | 1.23Å | |
| C11 | C12 | sing | 1.36Å | 1.38Å | Aromatic |
| C8 | H1 | sing | 1.09Å | 1.10Å | |
| C8 | H2 | sing | 1.09Å | 1.10Å | |
| C9 | H3 | sing | 1.09Å | 1.10Å | |
| C9 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.08Å | 1.08Å | |
| C12 | H6 | sing | 1.08Å | 1.08Å | |
| C14 | H7 | sing | 1.08Å | 1.08Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C21 | H9 | sing | 1.09Å | 1.10Å | |
| C23 | H10 | sing | 1.08Å | 1.08Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| C5 | H12 | sing | 1.09Å | 1.10Å | |
| C6 | H13 | sing | 1.09Å | 1.10Å | |
| C6 | H14 | sing | 1.09Å | 1.10Å | |
| N18 | H15 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O20 | C19 | C21 | 125.1° | 121.5° |
| O20 | C19 | N18 | 120.1° | 121.5° |
| C21 | C19 | N18 | 114.9° | 117.0° |
| C19 | C21 | C1 | 119.5° | 116.1° |
| C19 | C21 | H8 | 106.9° | 108.1° |
| C19 | C21 | H9 | 106.9° | 108.1° |
| C19 | N18 | C16 | 126.7° | 121.3° |
| C19 | N18 | H15 | 116.7° | 119.4° |
| C21 | C1 | N15 | 120.9° | 118.0° |
| C21 | C1 | C2 | 126.3° | 121.0° |
| C1 | C21 | H8 | 106.9° | 108.2° |
| C1 | C21 | H9 | 106.9° | 108.1° |
| N18 | C16 | N15 | 114.0° | 124.8° |
| N18 | C16 | O17 | 123.5° | 117.6° |
| C16 | N18 | H15 | 116.7° | 119.3° |
| N15 | C1 | C2 | 112.8° | 121.0° |
| C1 | N15 | C16 | 124.0° | 122.8° |
| C1 | C2 | O3 | 117.4° | 120.0° |
| C1 | C2 | N4 | 118.2° | 120.0° |
| N15 | C16 | O17 | 122.4° | 117.6° |
| CL25 | C13 | C14 | 117.1° | 120.1° |
| CL25 | C13 | C22 | 119.7° | 120.1° |
| O3 | C2 | N4 | 124.4° | 120.0° |
| C2 | N4 | C5 | 126.9° | 120.9° |
| C2 | N4 | C9 | 120.5° | 120.9° |
| C5 | C6 | N7 | 110.7° | 109.3° |
| C6 | C5 | N4 | 110.1° | 108.5° |
| C6 | C5 | H11 | 109.3° | 109.6° |
| C6 | C5 | H12 | 109.3° | 109.6° |
| C5 | C6 | H13 | 109.2° | 109.5° |
| C5 | C6 | H14 | 109.1° | 109.6° |
| C6 | N7 | C8 | 113.7° | 111.3° |
| C6 | N7 | C10 | 120.4° | 111.0° |
| N7 | C6 | H13 | 109.2° | 109.5° |
| N7 | C6 | H14 | 109.2° | 109.5° |
| C13 | C14 | C10 | 120.1° | 119.9° |
| C14 | C13 | C22 | 123.2° | 119.8° |
| C13 | C14 | H7 | 119.9° | 120.0° |
| C14 | C10 | N7 | 121.2° | 119.9° |
| C14 | C10 | C11 | 117.3° | 120.2° |
| C10 | C14 | H7 | 119.9° | 120.0° |
| C13 | C22 | C23 | 124.4° | 120.1° |
| C13 | C22 | C12 | 115.8° | 119.8° |
| C5 | N4 | C9 | 112.6° | 118.2° |
| N4 | C5 | H11 | 109.3° | 109.7° |
| N4 | C5 | H12 | 109.3° | 109.8° |
| N4 | C9 | C8 | 111.3° | 108.5° |
| N4 | C9 | H3 | 109.0° | 109.6° |
| N4 | C9 | H4 | 109.0° | 109.8° |
| C8 | N7 | C10 | 119.7° | 111.0° |
| N7 | C8 | C9 | 111.7° | 109.3° |
| N7 | C8 | H1 | 108.9° | 109.5° |
| N7 | C8 | H2 | 108.9° | 109.5° |
| N7 | C10 | C11 | 121.5° | 119.9° |
| C9 | C8 | H1 | 108.9° | 109.5° |
| C9 | C8 | H2 | 108.9° | 109.5° |
| C8 | C9 | H3 | 109.0° | 109.6° |
| C8 | C9 | H4 | 109.0° | 109.6° |
| C10 | C11 | C12 | 120.9° | 120.3° |
| C10 | C11 | H5 | 119.6° | 119.9° |
| C23 | C22 | C12 | 119.8° | 120.1° |
| C22 | C23 | O24 | 123.8° | 120.0° |
| C22 | C23 | H10 | 118.1° | 120.1° |
| C22 | C12 | C11 | 122.7° | 120.0° |
| C22 | C12 | H6 | 118.7° | 120.0° |
| O24 | C23 | H10 | 118.1° | 119.9° |
| C12 | C11 | H5 | 119.6° | 119.9° |
| C11 | C12 | H6 | 118.6° | 120.0° |
| H1 | C8 | H2 | 109.5° | 109.5° |
| H3 | C9 | H4 | 109.5° | 109.6° |
| H8 | C21 | H9 | 109.5° | 107.9° |
| H11 | C5 | H12 | 109.5° | 109.7° |
| H13 | C6 | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O20 | C19 | C21 | N18 | 180.0° | 179.4° |
| O20 | C19 | C21 | C1 | 179.9° | 180.0° |
| O20 | C19 | N18 | C16 | 180.0° | 179.8° |
| O20 | C19 | C21 | H8 | 58.5° | 58.2° |
| O20 | C19 | C21 | H9 | 58.7° | 58.3° |
| O20 | C19 | N18 | H15 | 0.0° | 0.6° |
| C19 | C21 | C1 | H8 | 121.4° | 121.8° |
| C19 | C21 | C1 | H9 | 121.4° | 121.7° |
| C21 | C19 | N18 | C16 | 0.0° | 0.8° |
| C19 | C21 | C1 | N15 | 0.2° | 0.1° |
| C19 | C21 | C1 | C2 | 179.8° | 179.7° |
| C19 | C21 | H8 | H9 | 115.5° | 116.7° |
| C21 | C19 | N18 | H15 | 180.0° | 180.0° |
| N18 | C19 | C21 | C1 | 0.1° | 0.6° |
| C19 | N18 | C16 | H15 | 180.0° | 179.2° |
| C19 | N18 | C16 | N15 | 0.0° | 0.6° |
| C19 | N18 | C16 | O17 | 180.0° | 179.4° |
| N18 | C19 | C21 | H8 | 121.5° | 121.2° |
| N18 | C19 | C21 | H9 | 121.3° | 122.2° |
| C21 | C1 | N15 | C2 | 179.7° | 179.8° |
| C21 | C1 | N15 | C16 | 0.2° | 0.2° |
| C21 | C1 | C2 | O3 | 86.2° | 8.8° |
| C21 | C1 | C2 | N4 | 94.4° | 171.2° |
| C1 | C21 | H8 | H9 | 115.4° | 116.7° |
| N18 | C16 | N15 | C1 | 0.1° | 0.0° |
| N18 | C16 | N15 | O17 | 180.0° | 180.0° |
| C1 | N15 | C16 | O17 | 179.9° | 180.0° |
| N15 | C1 | C2 | O3 | 94.2° | 171.0° |
| N15 | C1 | C2 | N4 | 85.3° | 9.1° |
| N15 | C1 | C21 | H8 | 121.6° | 121.7° |
| N15 | C1 | C21 | H9 | 121.2° | 121.7° |
| C2 | C1 | N15 | C16 | 179.9° | 180.0° |
| C1 | C2 | O3 | N4 | 179.4° | 180.0° |
| C1 | C2 | N4 | C5 | 0.5° | 0.3° |
| C1 | C2 | N4 | C9 | 179.7° | 179.8° |
| C2 | C1 | C21 | H8 | 58.8° | 58.5° |
| C2 | C1 | C21 | H9 | 58.4° | 58.0° |
| N15 | C16 | N18 | H15 | 180.0° | 179.7° |
| O17 | C16 | N18 | H15 | 0.0° | 0.3° |
| CL25 | C13 | C14 | C22 | 180.0° | 179.9° |
| CL25 | C13 | C14 | C10 | 179.9° | 180.0° |
| CL25 | C13 | C22 | C23 | 0.1° | 0.0° |
| CL25 | C13 | C22 | C12 | 180.0° | 179.9° |
| CL25 | C13 | C14 | H7 | 0.1° | 0.1° |
| O3 | C2 | N4 | C5 | 179.9° | 179.7° |
| O3 | C2 | N4 | C9 | 0.3° | 0.2° |
| C2 | N4 | C5 | C6 | 122.1° | 128.8° |
| C2 | N4 | C5 | C9 | 179.9° | 179.9° |
| C2 | N4 | C9 | C8 | 124.6° | 128.8° |
| C2 | N4 | C9 | H3 | 115.2° | 9.2° |
| C2 | N4 | C9 | H4 | 4.3° | 111.3° |
| C2 | N4 | C5 | H11 | 117.8° | 111.5° |
| C2 | N4 | C5 | H12 | 2.0° | 9.1° |
| C5 | C6 | N7 | H13 | 120.2° | 120.0° |
| C5 | C6 | N7 | H14 | 120.2° | 120.0° |
| C6 | C5 | N4 | H11 | 120.1° | 119.7° |
| C6 | C5 | N4 | H12 | 120.1° | 119.8° |
| C6 | C5 | N4 | C9 | 57.8° | 51.2° |
| C5 | C6 | N7 | C8 | 53.6° | 63.1° |
| C5 | C6 | N7 | C10 | 154.2° | 172.8° |
| C6 | C5 | H11 | H12 | 119.7° | 120.4° |
| C5 | C6 | H13 | H14 | 119.4° | 120.1° |
| C6 | N7 | C10 | C14 | 13.9° | 0.3° |
| N7 | C6 | C5 | N4 | 55.6° | 53.9° |
| C6 | N7 | C8 | C10 | 152.4° | 124.1° |
| C6 | N7 | C8 | C9 | 51.1° | 63.1° |
| C6 | N7 | C10 | C11 | 165.9° | 180.0° |
| C6 | N7 | C8 | H1 | 69.2° | 176.9° |
| C6 | N7 | C8 | H2 | 171.4° | 56.9° |
| N7 | C6 | C5 | H11 | 64.5° | 65.9° |
| N7 | C6 | C5 | H12 | 175.7° | 173.7° |
| N7 | C6 | H13 | H14 | 119.5° | 120.0° |
| C13 | C14 | C10 | H7 | 180.0° | 180.0° |
| C13 | C14 | C10 | N7 | 179.9° | 179.8° |
| C13 | C14 | C10 | C11 | 0.1° | 0.1° |
| C14 | C13 | C22 | C23 | 180.0° | 179.9° |
| C14 | C13 | C22 | C12 | 0.0° | 0.0° |
| C10 | C14 | C13 | C22 | 0.0° | 0.1° |
| C14 | C10 | N7 | C8 | 136.7° | 124.0° |
| C14 | C10 | N7 | C11 | 179.8° | 179.7° |
| C14 | C10 | C11 | C12 | 0.1° | 0.0° |
| C14 | C10 | C11 | H5 | 179.9° | 180.0° |
| C13 | C22 | C23 | C12 | 180.0° | 179.9° |
| C13 | C22 | C23 | O24 | 174.4° | 180.0° |
| C13 | C22 | C12 | C11 | 0.0° | 0.0° |
| C13 | C22 | C12 | H6 | 180.0° | 180.0° |
| C22 | C13 | C14 | H7 | 180.0° | 180.0° |
| C13 | C22 | C23 | H10 | 5.5° | 0.0° |
| C5 | N4 | C9 | C8 | 55.3° | 51.2° |
| C5 | N4 | C9 | H3 | 64.9° | 170.9° |
| C5 | N4 | C9 | H4 | 175.6° | 68.6° |
| N4 | C5 | H11 | H12 | 119.7° | 120.6° |
| N4 | C5 | C6 | H13 | 64.6° | 66.1° |
| N4 | C5 | C6 | H14 | 175.8° | 173.8° |
| N4 | C9 | C8 | N7 | 50.8° | 53.9° |
| N4 | C9 | C8 | H3 | 120.3° | 119.7° |
| N4 | C9 | C8 | H4 | 120.3° | 120.0° |
| N4 | C9 | C8 | H1 | 69.5° | 173.8° |
| N4 | C9 | C8 | H2 | 171.1° | 66.1° |
| N4 | C9 | H3 | H4 | 119.2° | 120.7° |
| C9 | N4 | C5 | H11 | 62.3° | 68.5° |
| C9 | N4 | C5 | H12 | 177.8° | 171.0° |
| N7 | C8 | C9 | H1 | 120.3° | 119.9° |
| N7 | C8 | C9 | H2 | 120.3° | 120.0° |
| C8 | N7 | C10 | C11 | 43.5° | 55.7° |
| N7 | C8 | H1 | H2 | 119.0° | 120.1° |
| N7 | C8 | C9 | H3 | 69.5° | 173.6° |
| N7 | C8 | C9 | H4 | 171.0° | 66.1° |
| C8 | N7 | C6 | H13 | 66.6° | 56.9° |
| C8 | N7 | C6 | H14 | 173.7° | 176.9° |
| C10 | N7 | C8 | C9 | 156.4° | 172.8° |
| N7 | C10 | C11 | C12 | 179.9° | 179.7° |
| C10 | N7 | C8 | H1 | 83.2° | 52.8° |
| C10 | N7 | C8 | H2 | 36.1° | 67.2° |
| N7 | C10 | C11 | H5 | 0.1° | 0.3° |
| N7 | C10 | C14 | H7 | 0.1° | 0.3° |
| C10 | N7 | C6 | H13 | 85.7° | 67.3° |
| C10 | N7 | C6 | H14 | 34.0° | 52.8° |
| C9 | C8 | H1 | H2 | 119.0° | 120.1° |
| C8 | C9 | H3 | H4 | 119.2° | 120.3° |
| C10 | C11 | C12 | C22 | 0.1° | 0.0° |
| C10 | C11 | C12 | H5 | 180.0° | 180.0° |
| C10 | C11 | C12 | H6 | 180.0° | 180.0° |
| C11 | C10 | C14 | H7 | 179.9° | 180.0° |
| C22 | C23 | O24 | H10 | 180.0° | 180.0° |
| C23 | C22 | C12 | C11 | 180.0° | 180.0° |
| C23 | C22 | C12 | H6 | 0.0° | 0.1° |
| C12 | C22 | C23 | O24 | 5.5° | 0.1° |
| C22 | C12 | C11 | H6 | 180.0° | 180.0° |
| C22 | C12 | C11 | H5 | 179.9° | 179.9° |
| C12 | C22 | C23 | H10 | 174.5° | 179.9° |
| H1 | C8 | C9 | H3 | 170.2° | 66.5° |
| H1 | C8 | C9 | H4 | 50.7° | 53.8° |
| H2 | C8 | C9 | H3 | 50.9° | 53.6° |
| H2 | C8 | C9 | H4 | 68.6° | 173.9° |
| H5 | C11 | C12 | H6 | 0.0° | 0.0° |
| H11 | C5 | C6 | H13 | 175.3° | 174.2° |
| H11 | C5 | C6 | H14 | 55.7° | 54.1° |
| H12 | C5 | C6 | H13 | 55.5° | 53.8° |
| H12 | C5 | C6 | H14 | 64.1° | 66.3° |
