32U
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C24 | N23 | sing | 1.46Å | 1.48Å | |
C24 | C25 | sing | 1.51Å | 1.54Å | |
O22 | C7 | doub | 1.21Å | 1.22Å | |
C2 | C3 | sing | 1.55Å | 1.55Å | |
C2 | C1 | sing | 1.54Å | 1.56Å | |
C7 | N23 | sing | 1.35Å | 1.36Å | |
C7 | C1 | sing | 1.51Å | 1.52Å | |
C3 | C4 | sing | 1.55Å | 1.55Å | |
C25 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
C25 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
C1 | N1 | sing | 1.47Å | 1.44Å | |
C30 | C29 | sing | 1.38Å | 1.40Å | Aromatic |
C4 | N1 | sing | 1.47Å | 1.46Å | |
C26 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
N1 | C14 | sing | 1.35Å | 1.36Å | |
C29 | C28 | doub | 1.39Å | 1.39Å | Aromatic |
C27 | C28 | sing | 1.40Å | 1.40Å | Aromatic |
C14 | O32 | doub | 1.21Å | 1.23Å | |
C14 | C5 | sing | 1.51Å | 1.51Å | |
C28 | C21 | sing | 1.48Å | 1.61Å | |
N13 | C5 | sing | 1.47Å | 1.48Å | |
C5 | C33 | sing | 1.53Å | 1.56Å | |
C21 | N47 | sing | 1.33Å | 1.31Å | |
C21 | N46 | doub | 1.33Å | 1.33Å | |
C8 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
C8 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
C9 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
C33 | C6 | sing | 1.51Å | 1.52Å | |
C6 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
C10 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
C12 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
C1 | H1 | sing | 1.09Å | 1.10Å | |
N23 | HN23 | sing | 0.97Å | 1.00Å | |
C24 | H124 | sing | 1.09Å | 1.10Å | |
C24 | H224 | sing | 1.09Å | 1.10Å | |
C26 | H26 | sing | 1.08Å | 1.08Å | |
C27 | H27 | sing | 1.08Å | 1.08Å | |
N46 | H146 | sing | 0.97Å | 1.00Å | |
N46 | H246 | sing | 0.97Å | 1.00Å | |
N47 | H147 | sing | 0.97Å | 1.00Å | |
N47 | H247 | sing | 0.97Å | 1.00Å | |
C29 | H29 | sing | 1.08Å | 1.08Å | |
C30 | H30 | sing | 1.08Å | 1.08Å | |
C2 | H12 | sing | 1.09Å | 1.10Å | |
C2 | H22 | sing | 1.09Å | 1.10Å | |
C3 | H13 | sing | 1.09Å | 1.10Å | |
C3 | H23 | sing | 1.09Å | 1.10Å | |
C4 | H14 | sing | 1.09Å | 1.10Å | |
C4 | H24 | sing | 1.09Å | 1.10Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
N13 | H113 | sing | 1.01Å | 1.00Å | |
N13 | H213 | sing | 1.01Å | 1.00Å | |
C33 | H133 | sing | 1.09Å | 1.10Å | |
C33 | H233 | sing | 1.09Å | 1.10Å | |
C8 | H8 | sing | 1.08Å | 1.08Å | |
C9 | H9 | sing | 1.08Å | 1.08Å | |
C10 | H10 | sing | 1.08Å | 1.08Å | |
C11 | H11 | sing | 1.08Å | 1.08Å | |
C12 | H12A | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N23 | C24 | C25 | 105.9° | 109.5° |
C24 | N23 | C7 | 113.9° | 120.0° |
C24 | N23 | HN23 | 123.1° | 120.0° |
N23 | C24 | H124 | 110.7° | 109.5° |
N23 | C24 | H224 | 110.7° | 109.5° |
C24 | C25 | C30 | 121.0° | 119.9° |
C24 | C25 | C26 | 119.6° | 119.8° |
C25 | C24 | H124 | 110.7° | 109.5° |
C25 | C24 | H224 | 110.7° | 109.5° |
O22 | C7 | N23 | 124.0° | 120.0° |
O22 | C7 | C1 | 120.5° | 120.0° |
C3 | C2 | C1 | 100.9° | 102.9° |
C2 | C3 | C4 | 103.7° | 101.5° |
C3 | C2 | H12 | 112.4° | 110.7° |
C3 | C2 | H22 | 112.4° | 110.7° |
C2 | C3 | H13 | 111.4° | 111.0° |
C2 | C3 | H23 | 111.5° | 111.0° |
C2 | C1 | C7 | 107.3° | 110.0° |
C2 | C1 | N1 | 100.9° | 107.3° |
C2 | C1 | H1 | 115.9° | 109.9° |
C1 | C2 | H12 | 112.4° | 110.6° |
C1 | C2 | H22 | 112.4° | 110.9° |
N23 | C7 | C1 | 115.4° | 120.0° |
C7 | N23 | HN23 | 123.0° | 119.9° |
C7 | C1 | N1 | 108.9° | 109.9° |
C7 | C1 | H1 | 108.8° | 109.9° |
C3 | C4 | N1 | 98.7° | 104.7° |
C4 | C3 | H13 | 111.4° | 111.2° |
C4 | C3 | H23 | 111.4° | 110.9° |
C3 | C4 | H14 | 113.2° | 110.4° |
C3 | C4 | H24 | 113.2° | 110.4° |
C30 | C25 | C26 | 119.3° | 120.3° |
C25 | C30 | C29 | 119.6° | 120.1° |
C25 | C30 | H30 | 120.2° | 119.9° |
C25 | C26 | C27 | 120.8° | 120.1° |
C25 | C26 | H26 | 119.6° | 120.0° |
C1 | N1 | C4 | 117.2° | 108.7° |
C1 | N1 | C14 | 119.8° | 125.7° |
N1 | C1 | H1 | 114.5° | 109.9° |
C30 | C29 | C28 | 121.8° | 119.9° |
C30 | C29 | H29 | 119.1° | 120.1° |
C29 | C30 | H30 | 120.2° | 119.9° |
C4 | N1 | C14 | 122.7° | 125.6° |
N1 | C4 | H14 | 113.2° | 110.7° |
N1 | C4 | H24 | 113.2° | 110.2° |
C26 | C27 | C28 | 120.6° | 119.8° |
C27 | C26 | H26 | 119.6° | 119.9° |
C26 | C27 | H27 | 119.7° | 120.1° |
N1 | C14 | O32 | 119.6° | 120.0° |
N1 | C14 | C5 | 122.4° | 120.0° |
C29 | C28 | C27 | 118.0° | 119.7° |
C29 | C28 | C21 | 120.4° | 120.1° |
C28 | C29 | H29 | 119.1° | 120.1° |
C27 | C28 | C21 | 121.6° | 120.1° |
C28 | C27 | H27 | 119.7° | 120.1° |
O32 | C14 | C5 | 118.0° | 120.0° |
C14 | C5 | N13 | 111.8° | 109.5° |
C14 | C5 | C33 | 111.5° | 109.5° |
C14 | C5 | H5 | 106.8° | 109.5° |
C28 | C21 | N47 | 120.3° | 120.0° |
C28 | C21 | N46 | 119.4° | 120.0° |
N13 | C5 | C33 | 110.7° | 109.5° |
N13 | C5 | H5 | 107.8° | 109.5° |
C5 | N13 | H113 | 109.5° | 111.0° |
C5 | N13 | H213 | 109.5° | 111.0° |
C5 | C33 | C6 | 111.0° | 109.5° |
C33 | C5 | H5 | 108.1° | 109.5° |
C5 | C33 | H133 | 109.0° | 109.5° |
C5 | C33 | H233 | 109.0° | 109.5° |
N47 | C21 | N46 | 120.3° | 120.0° |
C21 | N47 | H147 | 120.0° | 120.0° |
C21 | N47 | H247 | 120.0° | 120.0° |
C21 | N46 | H146 | 120.0° | 120.0° |
C21 | N46 | H246 | 120.0° | 120.0° |
C9 | C8 | C6 | 120.1° | 120.0° |
C8 | C9 | C10 | 120.9° | 120.0° |
C9 | C8 | H8 | 119.9° | 120.0° |
C8 | C9 | H9 | 119.5° | 120.0° |
C8 | C6 | C33 | 121.2° | 120.0° |
C8 | C6 | C12 | 118.9° | 120.0° |
C6 | C8 | H8 | 120.0° | 120.1° |
C9 | C10 | C11 | 118.9° | 120.0° |
C10 | C9 | H9 | 119.6° | 120.0° |
C9 | C10 | H10 | 120.5° | 120.0° |
C33 | C6 | C12 | 119.9° | 120.0° |
C6 | C33 | H133 | 108.9° | 109.5° |
C6 | C33 | H233 | 109.0° | 109.5° |
C6 | C12 | C11 | 121.2° | 120.0° |
C6 | C12 | H12A | 119.4° | 120.0° |
C10 | C11 | C12 | 120.0° | 120.0° |
C11 | C10 | H10 | 120.5° | 120.0° |
C10 | C11 | H11 | 120.0° | 120.0° |
C12 | C11 | H11 | 120.0° | 120.1° |
C11 | C12 | H12A | 119.4° | 120.0° |
H124 | C24 | H224 | 108.3° | 109.5° |
H146 | N46 | H246 | 119.9° | 120.0° |
H147 | N47 | H247 | 120.0° | 120.0° |
H12 | C2 | H22 | 106.4° | 110.8° |
H13 | C3 | H23 | 107.4° | 110.9° |
H14 | C4 | H24 | 105.5° | 110.4° |
H113 | N13 | H213 | 109.5° | 111.0° |
H133 | C33 | H233 | 110.0° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N23 | C24 | C25 | H124 | 120.0° | 120.0° |
N23 | C24 | C25 | H224 | 120.0° | 120.0° |
C24 | N23 | C7 | O22 | 0.4° | 0.0° |
C24 | N23 | C7 | HN23 | 180.0° | 180.0° |
C24 | N23 | C7 | C1 | 177.4° | 180.0° |
N23 | C24 | C25 | C30 | 97.9° | 90.0° |
N23 | C24 | C25 | C26 | 82.1° | 89.7° |
N23 | C24 | H124 | H224 | 121.5° | 120.0° |
C25 | C24 | N23 | C7 | 107.3° | 180.0° |
C24 | C25 | C30 | C26 | 180.0° | 179.7° |
C24 | C25 | C30 | C29 | 180.0° | 179.8° |
C24 | C25 | C26 | C27 | 180.0° | 180.0° |
C25 | C24 | N23 | HN23 | 72.7° | 0.0° |
C25 | C24 | H124 | H224 | 121.5° | 120.0° |
C24 | C25 | C26 | H26 | 0.0° | 0.1° |
C24 | C25 | C30 | H30 | 0.0° | 0.0° |
O22 | C7 | C1 | C2 | 69.6° | 117.9° |
O22 | C7 | N23 | C1 | 177.8° | 179.9° |
O22 | C7 | C1 | N1 | 38.9° | 0.0° |
O22 | C7 | C1 | H1 | 164.3° | 121.0° |
O22 | C7 | N23 | HN23 | 179.6° | 180.0° |
C3 | C2 | C1 | H12 | 120.0° | 118.3° |
C3 | C2 | C1 | H22 | 120.0° | 118.4° |
C3 | C2 | C1 | C7 | 147.3° | 97.3° |
C2 | C3 | C4 | H13 | 120.0° | 118.1° |
C2 | C3 | C4 | H23 | 120.0° | 118.0° |
C3 | C2 | C1 | N1 | 33.4° | 22.2° |
C2 | C3 | C4 | N1 | 34.8° | 37.3° |
C3 | C2 | C1 | H1 | 90.9° | 141.6° |
C3 | C2 | H12 | H22 | 123.5° | 123.2° |
C2 | C3 | H13 | H23 | 122.4° | 123.9° |
C2 | C3 | C4 | H14 | 85.2° | 81.8° |
C2 | C3 | C4 | H24 | 154.8° | 155.8° |
C2 | C1 | C7 | N23 | 108.3° | 62.1° |
C2 | C1 | C7 | N1 | 108.4° | 117.9° |
C2 | C1 | C7 | H1 | 126.1° | 121.1° |
C1 | C2 | C3 | C4 | 43.5° | 35.7° |
C2 | C1 | N1 | H1 | 125.2° | 119.4° |
C2 | C1 | N1 | C4 | 12.6° | 1.3° |
C2 | C1 | N1 | C14 | 173.2° | 179.0° |
C1 | C2 | H12 | H22 | 123.5° | 123.4° |
C1 | C2 | C3 | H13 | 163.5° | 82.6° |
C1 | C2 | C3 | H23 | 76.5° | 153.6° |
N23 | C7 | C1 | N1 | 143.3° | 180.0° |
N23 | C7 | C1 | H1 | 17.8° | 59.0° |
C7 | N23 | C24 | H124 | 132.7° | 60.0° |
C7 | N23 | C24 | H224 | 12.7° | 60.0° |
C7 | C1 | N1 | H1 | 122.0° | 121.0° |
C7 | C1 | N1 | C4 | 125.3° | 120.8° |
C7 | C1 | N1 | C14 | 60.5° | 59.4° |
C1 | C7 | N23 | HN23 | 2.6° | 0.1° |
C7 | C1 | C2 | H12 | 92.7° | 21.0° |
C7 | C1 | C2 | H22 | 27.3° | 144.3° |
C3 | C4 | N1 | C1 | 13.9° | 24.4° |
C3 | C4 | N1 | H14 | 120.0° | 118.9° |
C3 | C4 | N1 | H24 | 120.0° | 118.7° |
C3 | C4 | N1 | C14 | 160.1° | 155.8° |
C4 | C3 | C2 | H12 | 163.5° | 153.9° |
C4 | C3 | C2 | H22 | 76.5° | 82.9° |
C4 | C3 | H13 | H23 | 122.3° | 123.9° |
C3 | C4 | H14 | H24 | 124.3° | 122.3° |
C25 | C30 | C29 | H30 | 180.0° | 179.7° |
C30 | C25 | C26 | C27 | 0.1° | 0.3° |
C25 | C30 | C29 | C28 | 0.1° | 0.5° |
C30 | C25 | C24 | H124 | 22.1° | 30.0° |
C30 | C25 | C24 | H224 | 142.1° | 150.0° |
C30 | C25 | C26 | H26 | 179.9° | 179.7° |
C25 | C30 | C29 | H29 | 179.9° | 179.7° |
C26 | C25 | C30 | C29 | 0.0° | 0.6° |
C25 | C26 | C27 | H26 | 180.0° | 180.0° |
C25 | C26 | C27 | C28 | 0.1° | 0.0° |
C26 | C25 | C24 | H124 | 157.9° | 150.3° |
C26 | C25 | C24 | H224 | 37.8° | 30.3° |
C25 | C26 | C27 | H27 | 179.9° | 180.0° |
C26 | C25 | C30 | H30 | 180.0° | 179.7° |
C1 | N1 | C4 | C14 | 174.0° | 179.8° |
C1 | N1 | C14 | O32 | 1.2° | 0.0° |
C1 | N1 | C14 | C5 | 178.7° | 180.0° |
N1 | C1 | C2 | H12 | 153.4° | 140.5° |
N1 | C1 | C2 | H22 | 86.6° | 96.2° |
C1 | N1 | C4 | H14 | 106.1° | 94.5° |
C1 | N1 | C4 | H24 | 133.9° | 143.1° |
C30 | C29 | C28 | H29 | 180.0° | 179.8° |
C30 | C29 | C28 | C27 | 0.1° | 0.2° |
C30 | C29 | C28 | C21 | 180.0° | 179.7° |
C4 | N1 | C14 | O32 | 172.7° | 179.7° |
C4 | N1 | C14 | C5 | 7.4° | 0.3° |
C4 | N1 | C1 | H1 | 112.7° | 118.2° |
N1 | C4 | C3 | H13 | 154.8° | 80.8° |
N1 | C4 | C3 | H23 | 85.2° | 155.3° |
N1 | C4 | H14 | H24 | 124.3° | 122.3° |
C26 | C27 | C28 | C29 | 0.2° | 0.0° |
C26 | C27 | C28 | H27 | 180.0° | 180.0° |
C26 | C27 | C28 | C21 | 180.0° | 180.0° |
N1 | C14 | O32 | C5 | 179.9° | 180.0° |
N1 | C14 | C5 | N13 | 127.8° | 160.0° |
N1 | C14 | C5 | C33 | 107.7° | 80.0° |
C14 | N1 | C1 | H1 | 61.5° | 61.6° |
C14 | N1 | C4 | H14 | 79.9° | 85.3° |
C14 | N1 | C4 | H24 | 40.1° | 37.1° |
N1 | C14 | C5 | H5 | 10.1° | 40.0° |
C29 | C28 | C27 | C21 | 179.8° | 179.9° |
C29 | C28 | C21 | N47 | 162.4° | 29.9° |
C29 | C28 | C21 | N46 | 17.5° | 150.0° |
C29 | C28 | C27 | H27 | 179.9° | 180.0° |
C28 | C29 | C30 | H30 | 179.9° | 179.7° |
C27 | C28 | C21 | N47 | 17.7° | 150.0° |
C27 | C28 | C21 | N46 | 162.3° | 30.0° |
C28 | C27 | C26 | H26 | 179.9° | 180.0° |
C27 | C28 | C29 | H29 | 179.9° | 180.0° |
O32 | C14 | C5 | N13 | 52.1° | 20.0° |
O32 | C14 | C5 | C33 | 72.4° | 100.0° |
O32 | C14 | C5 | H5 | 169.8° | 140.0° |
C14 | C5 | N13 | C33 | 125.0° | 120.0° |
C14 | C5 | N13 | H5 | 117.1° | 120.0° |
C14 | C5 | C33 | H5 | 117.1° | 120.0° |
C14 | C5 | C33 | C6 | 64.8° | 175.0° |
C14 | C5 | N13 | H113 | 180.0° | 60.0° |
C14 | C5 | N13 | H213 | 60.0° | 64.0° |
C14 | C5 | C33 | H133 | 55.2° | 55.0° |
C14 | C5 | C33 | H233 | 175.2° | 65.0° |
C28 | C21 | N47 | N46 | 179.9° | 180.0° |
C21 | C28 | C27 | H27 | 0.0° | 0.1° |
C28 | C21 | N46 | H146 | 180.0° | 179.9° |
C28 | C21 | N46 | H246 | 0.0° | 0.0° |
C28 | C21 | N47 | H147 | 179.9° | 0.0° |
C28 | C21 | N47 | H247 | 0.1° | 180.0° |
C21 | C28 | C29 | H29 | 0.0° | 0.1° |
N13 | C5 | C33 | H5 | 117.8° | 120.0° |
N13 | C5 | C33 | C6 | 170.1° | 65.0° |
C5 | N13 | H113 | H213 | 120.0° | 124.0° |
N13 | C5 | C33 | H133 | 69.9° | 175.0° |
N13 | C5 | C33 | H233 | 50.1° | 55.0° |
C5 | C33 | C6 | C8 | 72.5° | 89.8° |
C5 | C33 | C6 | H133 | 120.0° | 120.0° |
C5 | C33 | C6 | H233 | 120.0° | 120.0° |
C5 | C33 | C6 | C12 | 107.6° | 90.0° |
C33 | C5 | N13 | H113 | 55.0° | 60.0° |
C33 | C5 | N13 | H213 | 65.0° | 176.0° |
C5 | C33 | H133 | H233 | 119.4° | 120.0° |
N47 | C21 | N46 | H146 | 0.0° | 0.0° |
N47 | C21 | N46 | H246 | 180.0° | 179.9° |
C21 | N47 | H147 | H247 | 180.0° | 179.9° |
C21 | N46 | H146 | H246 | 180.0° | 179.9° |
N46 | C21 | N47 | H147 | 0.0° | 180.0° |
N46 | C21 | N47 | H247 | 180.0° | 0.1° |
C9 | C8 | C6 | H8 | 180.0° | 179.9° |
C8 | C9 | C10 | H9 | 180.0° | 180.0° |
C9 | C8 | C6 | C33 | 179.9° | 180.0° |
C9 | C8 | C6 | C12 | 0.1° | 0.2° |
C8 | C9 | C10 | C11 | 0.1° | 0.0° |
C8 | C9 | C10 | H10 | 179.9° | 180.0° |
C6 | C8 | C9 | C10 | 0.1° | 0.0° |
C8 | C6 | C33 | C12 | 179.9° | 179.8° |
C8 | C6 | C12 | C11 | 0.1° | 0.4° |
C8 | C6 | C33 | H133 | 167.5° | 150.2° |
C8 | C6 | C33 | H233 | 47.5° | 30.2° |
C6 | C8 | C9 | H9 | 179.9° | 180.0° |
C8 | C6 | C12 | H12A | 179.9° | 179.7° |
C9 | C10 | C11 | H10 | 180.0° | 180.0° |
C9 | C10 | C11 | C12 | 0.1° | 0.2° |
C10 | C9 | C8 | H8 | 180.0° | 179.9° |
C9 | C10 | C11 | H11 | 179.9° | 180.0° |
C33 | C6 | C12 | C11 | 180.0° | 179.8° |
C6 | C33 | C5 | H5 | 52.3° | 55.0° |
C6 | C33 | H133 | H233 | 119.4° | 120.0° |
C33 | C6 | C8 | H8 | 0.0° | 0.1° |
C33 | C6 | C12 | H12A | 0.0° | 0.1° |
C6 | C12 | C11 | C10 | 0.0° | 0.4° |
C6 | C12 | C11 | H12A | 180.0° | 179.9° |
C12 | C6 | C33 | H133 | 12.4° | 30.0° |
C12 | C6 | C33 | H233 | 132.4° | 150.0° |
C12 | C6 | C8 | H8 | 179.9° | 179.7° |
C6 | C12 | C11 | H11 | 180.0° | 179.8° |
C10 | C11 | C12 | H11 | 180.0° | 179.8° |
C11 | C10 | C9 | H9 | 179.9° | 180.0° |
C10 | C11 | C12 | H12A | 180.0° | 179.7° |
C12 | C11 | C10 | H10 | 179.9° | 179.8° |
H1 | C1 | C2 | H12 | 29.1° | 100.1° |
H1 | C1 | C2 | H22 | 149.1° | 23.2° |
HN23 | N23 | C24 | H124 | 47.3° | 120.0° |
HN23 | N23 | C24 | H224 | 167.3° | 120.0° |
H26 | C26 | C27 | H27 | 0.1° | 0.0° |
H29 | C29 | C30 | H30 | 0.1° | 0.0° |
H12 | C2 | C3 | H13 | 76.5° | 35.6° |
H12 | C2 | C3 | H23 | 43.5° | 88.2° |
H22 | C2 | C3 | H13 | 43.5° | 158.9° |
H22 | C2 | C3 | H23 | 163.5° | 35.1° |
H13 | C3 | C4 | H14 | 34.8° | 160.1° |
H13 | C3 | C4 | H24 | 85.2° | 37.7° |
H23 | C3 | C4 | H14 | 154.8° | 36.2° |
H23 | C3 | C4 | H24 | 34.8° | 86.2° |
H5 | C5 | N13 | H113 | 62.9° | 180.0° |
H5 | C5 | N13 | H213 | 177.1° | 56.0° |
H5 | C5 | C33 | H133 | 172.3° | 65.0° |
H5 | C5 | C33 | H233 | 67.7° | 175.0° |
H8 | C8 | C9 | H9 | 0.0° | 0.0° |
H9 | C9 | C10 | H10 | 0.1° | 0.1° |
H10 | C10 | C11 | H11 | 0.1° | 0.0° |
H11 | C11 | C12 | H12A | 0.1° | 0.1° |