8ZS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | C16 | sing | 1.53Å | 1.54Å | |
| C17 | O18 | sing | 1.43Å | 1.41Å | |
| C16 | C19 | sing | 1.53Å | 1.54Å | |
| C16 | N15 | sing | 1.47Å | 1.45Å | |
| O20 | C14 | doub | 1.22Å | 1.18Å | |
| N15 | C14 | sing | 1.35Å | 1.45Å | |
| C14 | C13 | sing | 1.42Å | 1.52Å | |
| C13 | C21 | sing | 1.42Å | 1.37Å | Aromatic |
| C13 | C12 | doub | 1.41Å | 1.41Å | Aromatic |
| C21 | C22 | doub | 1.34Å | 1.39Å | Aromatic |
| C12 | N11 | sing | 1.33Å | 1.38Å | Aromatic |
| C12 | N23 | sing | 1.37Å | 1.33Å | Aromatic |
| N11 | C04 | doub | 1.33Å | 1.33Å | Aromatic |
| C06 | C07 | doub | 1.38Å | 1.39Å | Aromatic |
| C06 | C05 | sing | 1.39Å | 1.40Å | Aromatic |
| C07 | C08 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | N23 | sing | 1.37Å | 1.38Å | Aromatic |
| N23 | C02 | sing | 1.37Å | 1.35Å | Aromatic |
| C04 | C05 | sing | 1.48Å | 1.53Å | |
| C04 | C03 | sing | 1.41Å | 1.39Å | Aromatic |
| C05 | C10 | doub | 1.40Å | 1.39Å | Aromatic |
| C08 | C09 | doub | 1.38Å | 1.39Å | Aromatic |
| C02 | C03 | doub | 1.36Å | 1.37Å | Aromatic |
| C02 | O01 | sing | 1.35Å | 1.39Å | |
| C10 | C09 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| O01 | H011 | sing | 0.97Å | 0.95Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| N15 | H151 | sing | 0.97Å | 1.00Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| O18 | H181 | sing | 0.97Å | 0.95Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H193 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | C17 | O18 | 111.4° | 109.4° |
| C17 | C16 | C19 | 114.3° | 109.5° |
| C17 | C16 | N15 | 108.7° | 109.5° |
| C16 | C17 | H171 | 109.0° | 109.4° |
| C16 | C17 | H172 | 109.0° | 109.4° |
| C17 | C16 | H161 | 108.1° | 109.5° |
| O18 | C17 | H171 | 109.0° | 109.5° |
| O18 | C17 | H172 | 109.0° | 109.5° |
| C17 | O18 | H181 | 109.5° | 114.0° |
| C19 | C16 | N15 | 108.2° | 109.4° |
| C19 | C16 | H161 | 108.1° | 109.5° |
| C16 | C19 | H192 | 109.5° | 109.5° |
| C16 | C19 | H193 | 109.5° | 109.4° |
| C16 | C19 | H191 | 109.4° | 109.5° |
| C16 | N15 | C14 | 121.8° | 120.0° |
| C16 | N15 | H151 | 119.1° | 119.9° |
| N15 | C16 | H161 | 109.4° | 109.5° |
| O20 | C14 | N15 | 120.9° | 120.0° |
| O20 | C14 | C13 | 119.1° | 120.0° |
| N15 | C14 | C13 | 120.0° | 120.0° |
| C14 | N15 | H151 | 119.1° | 120.0° |
| C14 | C13 | C21 | 127.0° | 126.7° |
| C14 | C13 | C12 | 125.6° | 126.8° |
| C21 | C13 | C12 | 107.3° | 106.5° |
| C13 | C21 | C22 | 107.6° | 107.8° |
| C13 | C21 | H211 | 126.2° | 126.1° |
| C13 | C12 | N11 | 132.0° | 131.8° |
| C13 | C12 | N23 | 108.4° | 107.3° |
| C21 | C22 | N23 | 107.8° | 109.5° |
| C22 | C21 | H211 | 126.2° | 126.1° |
| C21 | C22 | H221 | 126.1° | 125.2° |
| N11 | C12 | N23 | 119.6° | 120.9° |
| C12 | N11 | C04 | 121.0° | 121.0° |
| C12 | N23 | C22 | 108.9° | 108.9° |
| C12 | N23 | C02 | 120.8° | 119.7° |
| N11 | C04 | C05 | 116.5° | 120.0° |
| N11 | C04 | C03 | 119.3° | 120.0° |
| C07 | C06 | C05 | 121.2° | 119.9° |
| C06 | C07 | C08 | 119.6° | 120.1° |
| C07 | C06 | H061 | 119.4° | 120.1° |
| C06 | C07 | H071 | 120.2° | 119.9° |
| C06 | C05 | C04 | 118.7° | 120.1° |
| C06 | C05 | C10 | 119.2° | 119.7° |
| C05 | C06 | H061 | 119.4° | 120.0° |
| C07 | C08 | C09 | 119.4° | 120.3° |
| C08 | C07 | H071 | 120.2° | 119.9° |
| C07 | C08 | H081 | 120.3° | 119.8° |
| C22 | N23 | C02 | 130.1° | 131.4° |
| N23 | C22 | H221 | 126.1° | 125.3° |
| N23 | C02 | C03 | 120.2° | 119.2° |
| N23 | C02 | O01 | 119.1° | 120.4° |
| C05 | C04 | C03 | 124.0° | 120.0° |
| C04 | C05 | C10 | 122.1° | 120.1° |
| C04 | C03 | C02 | 119.1° | 119.3° |
| C04 | C03 | H031 | 120.5° | 120.3° |
| C05 | C10 | C09 | 119.2° | 119.8° |
| C05 | C10 | H101 | 120.4° | 120.1° |
| C08 | C09 | C10 | 121.2° | 120.2° |
| C09 | C08 | H081 | 120.3° | 119.9° |
| C08 | C09 | H091 | 119.4° | 119.9° |
| C03 | C02 | O01 | 120.7° | 120.4° |
| C02 | C03 | H031 | 120.4° | 120.4° |
| C02 | O01 | H011 | 109.5° | 113.9° |
| C09 | C10 | H101 | 120.4° | 120.1° |
| C10 | C09 | H091 | 119.4° | 119.9° |
| H171 | C17 | H172 | 109.4° | 109.6° |
| H192 | C19 | H193 | 109.5° | 109.5° |
| H192 | C19 | H191 | 109.5° | 109.5° |
| H193 | C19 | H191 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | C17 | O18 | H171 | 120.3° | 119.9° |
| C16 | C17 | O18 | H172 | 120.3° | 119.9° |
| C17 | C16 | C19 | N15 | 121.3° | 120.0° |
| C17 | C16 | C19 | H161 | 120.4° | 120.0° |
| C17 | C16 | N15 | H161 | 117.8° | 120.0° |
| C17 | C16 | N15 | C14 | 147.5° | 155.0° |
| C16 | C17 | H171 | H172 | 119.1° | 120.0° |
| C17 | C16 | N15 | H151 | 32.5° | 25.0° |
| C16 | C17 | O18 | H181 | 180.0° | 180.0° |
| C17 | C16 | C19 | H192 | 180.0° | 60.0° |
| C17 | C16 | C19 | H193 | 60.0° | 60.0° |
| C17 | C16 | C19 | H191 | 60.0° | 180.0° |
| O18 | C17 | C16 | C19 | 48.3° | 55.0° |
| O18 | C17 | C16 | N15 | 72.6° | 65.0° |
| O18 | C17 | H171 | H172 | 119.1° | 120.1° |
| O18 | C17 | C16 | H161 | 168.7° | 175.0° |
| C19 | C16 | N15 | H161 | 117.5° | 120.0° |
| C19 | C16 | N15 | C14 | 87.8° | 85.0° |
| C19 | C16 | C17 | H171 | 168.6° | 174.9° |
| C19 | C16 | C17 | H172 | 72.0° | 65.0° |
| C19 | C16 | N15 | H151 | 92.1° | 95.0° |
| C16 | C19 | H192 | H193 | 120.0° | 119.9° |
| C16 | C19 | H192 | H191 | 120.0° | 120.0° |
| C16 | C19 | H193 | H191 | 120.0° | 119.9° |
| C16 | N15 | C14 | O20 | 0.0° | 0.0° |
| C16 | N15 | C14 | H151 | 180.0° | 180.0° |
| C16 | N15 | C14 | C13 | 178.7° | 180.0° |
| N15 | C16 | C17 | H171 | 47.7° | 55.0° |
| N15 | C16 | C17 | H172 | 167.1° | 175.0° |
| N15 | C16 | C19 | H192 | 58.8° | 60.0° |
| N15 | C16 | C19 | H193 | 61.3° | 180.0° |
| N15 | C16 | C19 | H191 | 178.8° | 60.0° |
| O20 | C14 | N15 | C13 | 178.7° | 179.9° |
| O20 | C14 | C13 | C21 | 6.9° | 180.0° |
| O20 | C14 | C13 | C12 | 168.4° | 0.3° |
| O20 | C14 | N15 | H151 | 180.0° | 180.0° |
| N15 | C14 | C13 | C21 | 174.4° | 0.0° |
| N15 | C14 | C13 | C12 | 10.4° | 179.7° |
| C14 | N15 | C16 | H161 | 29.7° | 35.0° |
| C14 | C13 | C21 | C12 | 175.9° | 179.8° |
| C14 | C13 | C21 | C22 | 176.4° | 179.7° |
| C14 | C13 | C12 | N11 | 5.3° | 0.3° |
| C14 | C13 | C12 | N23 | 175.7° | 179.8° |
| C14 | C13 | C21 | H211 | 3.6° | 0.3° |
| C13 | C14 | N15 | H151 | 1.2° | 0.0° |
| C13 | C21 | C22 | H211 | 180.0° | 180.0° |
| C21 | C13 | C12 | N11 | 178.7° | 180.0° |
| C21 | C13 | C12 | N23 | 0.4° | 0.0° |
| C13 | C21 | C22 | N23 | 1.1° | 0.0° |
| C13 | C21 | C22 | H221 | 178.9° | 180.0° |
| C12 | C13 | C21 | C22 | 0.5° | 0.0° |
| C13 | C12 | N11 | N23 | 178.9° | 180.0° |
| C13 | C12 | N11 | C04 | 175.7° | 179.9° |
| C13 | C12 | N23 | C22 | 1.0° | 0.0° |
| C13 | C12 | N23 | C02 | 176.1° | 179.9° |
| C12 | C13 | C21 | H211 | 179.5° | 180.0° |
| C21 | C22 | N23 | C12 | 1.3° | 0.0° |
| C21 | C22 | N23 | H221 | 180.0° | 180.0° |
| C21 | C22 | N23 | C02 | 175.8° | 179.9° |
| N11 | C12 | N23 | C22 | 178.1° | 180.0° |
| N11 | C12 | N23 | C02 | 3.0° | 0.1° |
| C12 | N11 | C04 | C05 | 178.6° | 179.9° |
| C12 | N11 | C04 | C03 | 2.6° | 0.1° |
| N23 | C12 | N11 | C04 | 3.2° | 0.1° |
| C12 | N23 | C22 | C02 | 174.5° | 179.9° |
| C12 | N23 | C02 | C03 | 2.4° | 0.0° |
| C12 | N23 | C02 | O01 | 175.7° | 180.0° |
| C12 | N23 | C22 | H221 | 178.7° | 180.0° |
| N11 | C04 | C05 | C06 | 8.0° | 180.0° |
| N11 | C04 | C05 | C03 | 175.7° | 179.9° |
| N11 | C04 | C05 | C10 | 170.1° | 0.1° |
| N11 | C04 | C03 | C02 | 2.0° | 0.1° |
| N11 | C04 | C03 | H031 | 178.0° | 179.9° |
| C07 | C06 | C05 | H061 | 180.0° | 180.0° |
| C06 | C07 | C08 | H071 | 180.0° | 180.0° |
| C07 | C06 | C05 | C04 | 178.6° | 180.0° |
| C07 | C06 | C05 | C10 | 3.3° | 0.0° |
| C06 | C07 | C08 | C09 | 2.7° | 0.1° |
| C06 | C07 | C08 | H081 | 177.3° | 180.0° |
| C05 | C06 | C07 | C08 | 0.5° | 0.0° |
| C06 | C05 | C04 | C10 | 178.1° | 180.0° |
| C06 | C05 | C04 | C03 | 167.7° | 0.0° |
| C06 | C05 | C10 | C09 | 2.6° | 0.0° |
| C06 | C05 | C10 | H101 | 177.4° | 179.7° |
| C05 | C06 | C07 | H071 | 179.5° | 180.0° |
| C07 | C08 | C09 | H081 | 180.0° | 179.9° |
| C07 | C08 | C09 | C10 | 3.4° | 0.1° |
| C08 | C07 | C06 | H061 | 179.5° | 179.9° |
| C07 | C08 | C09 | H091 | 176.6° | 179.7° |
| C22 | N23 | C02 | C03 | 176.3° | 179.9° |
| C22 | N23 | C02 | O01 | 1.8° | 0.1° |
| N23 | C22 | C21 | H211 | 178.9° | 180.0° |
| N23 | C02 | C03 | C04 | 1.9° | 0.0° |
| N23 | C02 | C03 | O01 | 178.1° | 180.0° |
| C02 | N23 | C22 | H221 | 4.2° | 0.1° |
| N23 | C02 | O01 | H011 | 180.0° | 180.0° |
| N23 | C02 | C03 | H031 | 178.1° | 180.0° |
| C05 | C04 | C03 | C02 | 177.6° | 180.0° |
| C04 | C05 | C10 | C09 | 179.2° | 180.0° |
| C04 | C05 | C10 | H101 | 0.8° | 0.3° |
| C05 | C04 | C03 | H031 | 2.4° | 0.0° |
| C04 | C05 | C06 | H061 | 1.4° | 0.0° |
| C03 | C04 | C05 | C10 | 14.1° | 180.0° |
| C04 | C03 | C02 | H031 | 180.0° | 180.0° |
| C04 | C03 | C02 | O01 | 176.2° | 180.0° |
| C05 | C10 | C09 | C08 | 0.6° | 0.1° |
| C05 | C10 | C09 | H101 | 180.0° | 179.7° |
| C10 | C05 | C06 | H061 | 176.8° | 180.0° |
| C05 | C10 | C09 | H091 | 179.4° | 179.7° |
| C08 | C09 | C10 | H091 | 180.0° | 179.8° |
| C08 | C09 | C10 | H101 | 179.4° | 179.8° |
| C09 | C08 | C07 | H071 | 177.2° | 180.0° |
| C03 | C02 | O01 | H011 | 1.9° | 0.0° |
| O01 | C02 | C03 | H031 | 3.8° | 0.0° |
| C10 | C09 | C08 | H081 | 176.6° | 180.0° |
| H101 | C10 | C09 | H091 | 0.6° | 0.0° |
| H171 | C17 | C16 | H161 | 70.9° | 65.0° |
| H171 | C17 | O18 | H181 | 59.7° | 60.1° |
| H172 | C17 | C16 | H161 | 48.4° | 55.0° |
| H172 | C17 | O18 | H181 | 59.7° | 60.0° |
| H211 | C21 | C22 | H221 | 1.1° | 0.0° |
| H061 | C06 | C07 | H071 | 0.5° | 0.0° |
| H071 | C07 | C08 | H081 | 2.8° | 0.0° |
| H081 | C08 | C09 | H091 | 3.4° | 0.2° |
| H151 | N15 | C16 | H161 | 150.4° | 145.0° |
| H161 | C16 | C19 | H192 | 59.6° | 180.0° |
| H161 | C16 | C19 | H193 | 179.6° | 60.0° |
| H161 | C16 | C19 | H191 | 60.5° | 60.0° |
| H192 | C19 | H193 | H191 | 120.0° | 120.1° |
