NAZ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | N23 | sing | 1.46Å | 1.47Å | |
C1 | C32 | sing | 1.51Å | 1.52Å | |
C1 | H36 | sing | 1.09Å | 1.10Å | |
C1 | H37 | sing | 1.09Å | 1.10Å | |
O2 | C22 | doub | 1.21Å | 1.21Å | |
C3 | N4 | sing | 1.47Å | 1.48Å | |
C3 | C21 | sing | 1.53Å | 1.54Å | |
C3 | H38 | sing | 1.09Å | 1.10Å | |
C3 | H39 | sing | 1.09Å | 1.10Å | |
N4 | C5 | sing | 1.47Å | 1.48Å | |
N4 | H40 | sing | 1.01Å | 1.00Å | |
C5 | C6 | sing | 1.53Å | 1.55Å | |
C5 | H41 | sing | 1.09Å | 1.10Å | |
C5 | H42 | sing | 1.09Å | 1.10Å | |
C6 | C7 | sing | 1.51Å | 1.51Å | |
C6 | H43 | sing | 1.09Å | 1.10Å | |
C6 | H44 | sing | 1.09Å | 1.10Å | |
C7 | N18 | sing | 1.35Å | 1.39Å | |
C7 | O20 | doub | 1.21Å | 1.21Å | |
C8 | C9 | sing | 1.40Å | 1.38Å | Aromatic |
C8 | N10 | doub | 1.32Å | 1.38Å | Aromatic |
C8 | N18 | sing | 1.39Å | 1.42Å | |
C9 | C11 | doub | 1.36Å | 1.39Å | Aromatic |
C9 | H45 | sing | 1.08Å | 1.08Å | |
N10 | C12 | sing | 1.34Å | 1.37Å | Aromatic |
C11 | C13 | sing | 1.41Å | 1.39Å | Aromatic |
C11 | H46 | sing | 1.08Å | 1.08Å | |
C12 | C13 | sing | 1.42Å | 1.38Å | Aromatic |
C12 | N17 | doub | 1.34Å | 1.38Å | Aromatic |
C13 | C15 | doub | 1.41Å | 1.38Å | Aromatic |
C14 | C15 | sing | 1.37Å | 1.39Å | Aromatic |
C14 | C16 | doub | 1.39Å | 1.38Å | Aromatic |
C14 | H47 | sing | 1.08Å | 1.08Å | |
C15 | H48 | sing | 1.08Å | 1.08Å | |
C16 | N17 | sing | 1.31Å | 1.38Å | Aromatic |
C16 | C19 | sing | 1.51Å | 1.50Å | |
N18 | H49 | sing | 0.97Å | 1.00Å | |
C19 | H50 | sing | 1.09Å | 1.10Å | |
C19 | H51 | sing | 1.09Å | 1.10Å | |
C19 | H52 | sing | 1.09Å | 1.10Å | |
C21 | C22 | sing | 1.51Å | 1.51Å | |
C21 | H53 | sing | 1.09Å | 1.10Å | |
C21 | H54 | sing | 1.09Å | 1.10Å | |
C22 | N23 | sing | 1.35Å | 1.38Å | |
N23 | H55 | sing | 0.97Å | 1.00Å | |
C24 | C25 | sing | 1.41Å | 1.48Å | Aromatic |
C24 | N26 | sing | 1.34Å | 1.39Å | Aromatic |
C24 | O34 | doub | 1.22Å | 1.21Å | |
C25 | C27 | doub | 1.36Å | 1.34Å | Aromatic |
C25 | H56 | sing | 1.08Å | 1.08Å | |
N26 | C28 | sing | 1.38Å | 1.42Å | Aromatic |
N26 | H35 | sing | 0.97Å | 1.00Å | |
C27 | C29 | sing | 1.46Å | 1.47Å | Aromatic |
C27 | H57 | sing | 1.08Å | 1.08Å | |
C28 | C29 | sing | 1.41Å | 1.39Å | Aromatic |
C28 | N33 | doub | 1.33Å | 1.39Å | Aromatic |
C29 | C31 | doub | 1.40Å | 1.38Å | Aromatic |
C30 | C31 | sing | 1.38Å | 1.38Å | Aromatic |
C30 | C32 | doub | 1.39Å | 1.38Å | Aromatic |
C30 | H58 | sing | 1.08Å | 1.08Å | |
C31 | H59 | sing | 1.08Å | 1.08Å | |
C32 | N33 | sing | 1.32Å | 1.39Å | Aromatic |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N23 | C1 | C32 | 115.3° | 109.5° |
N23 | C1 | H36 | 106.2° | 109.5° |
N23 | C1 | H37 | 107.6° | 109.5° |
C1 | N23 | C22 | 120.1° | 120.0° |
C1 | N23 | H55 | 119.9° | 120.0° |
C32 | C1 | H36 | 106.2° | 109.4° |
C32 | C1 | H37 | 107.6° | 109.5° |
C1 | C32 | C30 | 117.2° | 119.2° |
C1 | C32 | N33 | 123.5° | 119.2° |
H36 | C1 | H37 | 114.2° | 109.5° |
O2 | C22 | C21 | 119.7° | 120.0° |
O2 | C22 | N23 | 120.0° | 120.0° |
N4 | C3 | C21 | 109.5° | 109.5° |
N4 | C3 | H38 | 109.4° | 109.5° |
N4 | C3 | H39 | 109.4° | 109.5° |
C3 | N4 | C5 | 120.1° | 106.7° |
C3 | N4 | H40 | 106.1° | 106.7° |
C21 | C3 | H38 | 109.4° | 109.5° |
C21 | C3 | H39 | 109.5° | 109.5° |
C3 | C21 | C22 | 108.8° | 109.5° |
C3 | C21 | H53 | 109.8° | 109.5° |
C3 | C21 | H54 | 109.7° | 109.5° |
H38 | C3 | H39 | 109.5° | 109.5° |
C5 | N4 | H40 | 106.1° | 106.7° |
N4 | C5 | C6 | 109.2° | 109.5° |
N4 | C5 | H41 | 109.6° | 109.5° |
N4 | C5 | H42 | 109.6° | 109.5° |
C6 | C5 | H41 | 109.6° | 109.4° |
C6 | C5 | H42 | 109.5° | 109.4° |
C5 | C6 | C7 | 114.2° | 109.5° |
C5 | C6 | H43 | 106.8° | 109.5° |
C5 | C6 | H44 | 107.9° | 109.4° |
H41 | C5 | H42 | 109.3° | 109.5° |
C7 | C6 | H43 | 106.8° | 109.5° |
C7 | C6 | H44 | 107.9° | 109.5° |
C6 | C7 | N18 | 117.2° | 120.0° |
C6 | C7 | O20 | 119.3° | 120.0° |
H43 | C6 | H44 | 113.3° | 109.5° |
N18 | C7 | O20 | 119.9° | 120.0° |
C7 | N18 | C8 | 121.7° | 120.0° |
C7 | N18 | H49 | 119.2° | 119.9° |
C9 | C8 | N10 | 119.2° | 121.7° |
C9 | C8 | N18 | 122.7° | 119.2° |
C8 | C9 | C11 | 119.5° | 119.8° |
C8 | C9 | H45 | 120.3° | 120.1° |
N10 | C8 | N18 | 118.2° | 119.1° |
C8 | N10 | C12 | 121.7° | 121.4° |
C8 | N18 | H49 | 119.2° | 120.0° |
C11 | C9 | H45 | 120.2° | 120.1° |
C9 | C11 | C13 | 120.6° | 118.2° |
C9 | C11 | H46 | 119.7° | 120.9° |
N10 | C12 | C13 | 119.3° | 119.6° |
N10 | C12 | N17 | 120.8° | 120.8° |
C13 | C11 | H46 | 119.7° | 120.8° |
C11 | C13 | C12 | 119.7° | 119.4° |
C11 | C13 | C15 | 120.9° | 121.4° |
C13 | C12 | N17 | 119.9° | 119.6° |
C12 | C13 | C15 | 119.4° | 119.2° |
C12 | N17 | C16 | 120.6° | 121.4° |
C13 | C15 | C14 | 120.7° | 118.2° |
C13 | C15 | H48 | 119.7° | 120.9° |
C15 | C14 | C16 | 119.8° | 119.8° |
C15 | C14 | H47 | 120.1° | 120.1° |
C14 | C15 | H48 | 119.6° | 120.9° |
C16 | C14 | H47 | 120.1° | 120.1° |
C14 | C16 | N17 | 119.7° | 121.8° |
C14 | C16 | C19 | 119.8° | 119.1° |
N17 | C16 | C19 | 120.6° | 119.1° |
C16 | C19 | H50 | 109.4° | 109.5° |
C16 | C19 | H51 | 109.5° | 109.5° |
C16 | C19 | H52 | 109.5° | 109.5° |
H50 | C19 | H51 | 109.5° | 109.5° |
H50 | C19 | H52 | 109.4° | 109.4° |
H51 | C19 | H52 | 109.5° | 109.4° |
C22 | C21 | H53 | 109.9° | 109.4° |
C22 | C21 | H54 | 109.7° | 109.5° |
C21 | C22 | N23 | 118.8° | 120.0° |
H53 | C21 | H54 | 108.9° | 109.5° |
C22 | N23 | H55 | 120.0° | 120.0° |
C25 | C24 | N26 | 119.6° | 121.8° |
C25 | C24 | O34 | 120.0° | 119.1° |
C24 | C25 | C27 | 119.5° | 120.1° |
C24 | C25 | H56 | 120.3° | 119.9° |
N26 | C24 | O34 | 120.4° | 119.1° |
C24 | N26 | C28 | 120.9° | 121.1° |
C24 | N26 | H35 | 119.6° | 119.5° |
C27 | C25 | H56 | 120.2° | 120.0° |
C25 | C27 | C29 | 120.4° | 118.5° |
C25 | C27 | H57 | 119.8° | 120.8° |
C28 | N26 | H35 | 119.5° | 119.4° |
N26 | C28 | C29 | 119.5° | 119.4° |
N26 | C28 | N33 | 121.1° | 120.7° |
C29 | C27 | H57 | 119.8° | 120.8° |
C27 | C29 | C28 | 120.1° | 119.3° |
C27 | C29 | C31 | 120.0° | 121.3° |
C29 | C28 | N33 | 119.3° | 119.9° |
C28 | C29 | C31 | 119.9° | 119.4° |
C28 | N33 | C32 | 120.7° | 121.6° |
C29 | C31 | C30 | 120.4° | 118.0° |
C29 | C31 | H59 | 119.8° | 121.0° |
C31 | C30 | C32 | 120.3° | 119.5° |
C31 | C30 | H58 | 119.8° | 120.3° |
C30 | C31 | H59 | 119.8° | 121.0° |
C32 | C30 | H58 | 119.9° | 120.2° |
C30 | C32 | N33 | 119.3° | 121.6° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N23 | C1 | C32 | H36 | 117.4° | 120.0° |
N23 | C1 | C32 | H37 | 120.0° | 120.0° |
N23 | C1 | H36 | H37 | 118.4° | 120.0° |
C1 | N23 | C22 | O2 | 13.7° | 0.0° |
C1 | N23 | C22 | C21 | 179.5° | 180.0° |
C1 | N23 | C22 | H55 | 180.0° | 180.0° |
N23 | C1 | C32 | C30 | 17.3° | 95.0° |
N23 | C1 | C32 | N33 | 162.7° | 85.3° |
C32 | C1 | H36 | H37 | 118.4° | 120.0° |
C32 | C1 | N23 | C22 | 128.4° | 180.0° |
C32 | C1 | N23 | H55 | 51.6° | 0.0° |
C1 | C32 | N33 | C28 | 179.9° | 179.8° |
C1 | C32 | C30 | C31 | 179.9° | 179.9° |
C1 | C32 | C30 | N33 | 180.0° | 179.7° |
C1 | C32 | C30 | H58 | 0.1° | 0.0° |
H36 | C1 | N23 | C22 | 114.3° | 60.0° |
H36 | C1 | N23 | H55 | 65.7° | 120.0° |
H36 | C1 | C32 | C30 | 100.1° | 25.0° |
H36 | C1 | C32 | N33 | 79.9° | 154.7° |
H37 | C1 | N23 | C22 | 8.4° | 60.0° |
H37 | C1 | N23 | H55 | 171.6° | 120.0° |
H37 | C1 | C32 | C30 | 137.3° | 145.0° |
H37 | C1 | C32 | N33 | 42.7° | 34.7° |
O2 | C22 | C21 | C3 | 87.0° | 0.0° |
O2 | C22 | C21 | N23 | 165.8° | 180.0° |
O2 | C22 | C21 | H53 | 33.3° | 120.0° |
O2 | C22 | C21 | H54 | 153.0° | 120.0° |
O2 | C22 | N23 | H55 | 166.2° | 180.0° |
N4 | C3 | C21 | H38 | 120.0° | 120.0° |
N4 | C3 | C21 | H39 | 120.0° | 120.0° |
N4 | C3 | H38 | H39 | 120.0° | 120.0° |
C3 | N4 | C5 | H40 | 120.0° | 113.8° |
C3 | N4 | C5 | C6 | 105.4° | 180.0° |
C3 | N4 | C5 | H41 | 14.7° | 60.0° |
C3 | N4 | C5 | H42 | 134.6° | 60.1° |
N4 | C3 | C21 | C22 | 70.2° | 180.0° |
N4 | C3 | C21 | H53 | 50.1° | 60.0° |
N4 | C3 | C21 | H54 | 169.8° | 60.0° |
C21 | C3 | H38 | H39 | 120.0° | 120.0° |
C21 | C3 | N4 | C5 | 158.7° | 180.0° |
C21 | C3 | N4 | H40 | 38.7° | 66.3° |
C3 | C21 | C22 | H53 | 120.3° | 120.0° |
C3 | C21 | C22 | H54 | 120.0° | 120.0° |
C3 | C21 | H53 | H54 | 120.2° | 120.0° |
C3 | C21 | C22 | N23 | 78.9° | 180.0° |
H38 | C3 | N4 | C5 | 38.7° | 60.0° |
H38 | C3 | N4 | H40 | 81.3° | 173.7° |
H38 | C3 | C21 | C22 | 49.8° | 60.0° |
H38 | C3 | C21 | H53 | 170.1° | 180.0° |
H38 | C3 | C21 | H54 | 70.2° | 60.0° |
H39 | C3 | N4 | C5 | 81.3° | 60.0° |
H39 | C3 | N4 | H40 | 158.7° | 53.8° |
H39 | C3 | C21 | C22 | 169.8° | 60.0° |
H39 | C3 | C21 | H53 | 69.9° | 60.0° |
H39 | C3 | C21 | H54 | 49.8° | 179.9° |
N4 | C5 | C6 | H41 | 120.1° | 120.1° |
N4 | C5 | C6 | H42 | 120.0° | 120.0° |
N4 | C5 | H41 | H42 | 120.1° | 120.1° |
N4 | C5 | C6 | C7 | 42.3° | 180.0° |
N4 | C5 | C6 | H43 | 75.6° | 60.0° |
N4 | C5 | C6 | H44 | 162.3° | 60.0° |
H40 | N4 | C5 | C6 | 14.6° | 66.2° |
H40 | N4 | C5 | H41 | 134.7° | 173.8° |
H40 | N4 | C5 | H42 | 105.4° | 53.7° |
C6 | C5 | H41 | H42 | 120.0° | 119.9° |
C5 | C6 | C7 | H43 | 117.9° | 120.0° |
C5 | C6 | C7 | H44 | 120.0° | 119.9° |
C5 | C6 | H43 | H44 | 118.7° | 120.0° |
C5 | C6 | C7 | N18 | 162.5° | 180.0° |
C5 | C6 | C7 | O20 | 3.9° | 0.0° |
H41 | C5 | C6 | C7 | 162.4° | 59.9° |
H41 | C5 | C6 | H43 | 44.5° | 180.0° |
H41 | C5 | C6 | H44 | 77.6° | 60.0° |
H42 | C5 | C6 | C7 | 77.7° | 60.1° |
H42 | C5 | C6 | H43 | 164.4° | 60.0° |
H42 | C5 | C6 | H44 | 42.3° | 180.0° |
C7 | C6 | H43 | H44 | 118.7° | 120.0° |
C6 | C7 | N18 | O20 | 158.4° | 180.0° |
C6 | C7 | N18 | C8 | 179.6° | 174.8° |
C6 | C7 | N18 | H49 | 0.3° | 5.2° |
H43 | C6 | C7 | N18 | 79.7° | 60.0° |
H43 | C6 | C7 | O20 | 121.8° | 120.0° |
H44 | C6 | C7 | N18 | 42.5° | 60.1° |
H44 | C6 | C7 | O20 | 116.1° | 120.0° |
C7 | N18 | C8 | C9 | 0.8° | 174.8° |
C7 | N18 | C8 | N10 | 179.4° | 5.2° |
C7 | N18 | C8 | H49 | 180.0° | 180.0° |
O20 | C7 | N18 | C8 | 22.0° | 5.2° |
O20 | C7 | N18 | H49 | 158.1° | 174.7° |
C9 | C8 | N10 | N18 | 179.9° | 180.0° |
C8 | C9 | C11 | H45 | 180.0° | 180.0° |
C9 | C8 | N10 | C12 | 0.0° | 0.0° |
C8 | C9 | C11 | C13 | 0.1° | 0.0° |
C8 | C9 | C11 | H46 | 179.9° | 180.0° |
C9 | C8 | N18 | H49 | 179.2° | 5.3° |
N10 | C8 | C9 | C11 | 0.1° | 0.0° |
N10 | C8 | C9 | H45 | 179.9° | 180.0° |
C8 | N10 | C12 | C13 | 0.0° | 0.1° |
C8 | N10 | C12 | N17 | 179.9° | 179.8° |
N10 | C8 | N18 | H49 | 0.7° | 174.8° |
N18 | C8 | C9 | C11 | 179.9° | 180.0° |
N18 | C8 | C9 | H45 | 0.1° | 0.0° |
N18 | C8 | N10 | C12 | 179.9° | 179.9° |
C9 | C11 | C13 | H46 | 180.0° | 180.0° |
C9 | C11 | C13 | C12 | 0.1° | 0.0° |
C9 | C11 | C13 | C15 | 179.9° | 180.0° |
H45 | C9 | C11 | C13 | 179.9° | 180.0° |
H45 | C9 | C11 | H46 | 0.1° | 0.0° |
N10 | C12 | C13 | C11 | 0.0° | 0.0° |
N10 | C12 | C13 | N17 | 179.9° | 179.8° |
N10 | C12 | C13 | C15 | 180.0° | 179.9° |
N10 | C12 | N17 | C16 | 180.0° | 179.7° |
C11 | C13 | C12 | C15 | 180.0° | 180.0° |
C11 | C13 | C12 | N17 | 180.0° | 179.8° |
C11 | C13 | C15 | C14 | 179.9° | 180.0° |
C11 | C13 | C15 | H48 | 0.1° | 0.0° |
H46 | C11 | C13 | C12 | 179.9° | 180.0° |
H46 | C11 | C13 | C15 | 0.1° | 0.0° |
C12 | C13 | C15 | C14 | 0.1° | 0.0° |
C12 | C13 | C15 | H48 | 179.9° | 180.0° |
C13 | C12 | N17 | C16 | 0.0° | 0.5° |
N17 | C12 | C13 | C15 | 0.0° | 0.3° |
C12 | N17 | C16 | C14 | 0.1° | 0.5° |
C12 | N17 | C16 | C19 | 180.0° | 179.8° |
C13 | C15 | C14 | H48 | 180.0° | 180.0° |
C13 | C15 | C14 | C16 | 0.1° | 0.0° |
C13 | C15 | C14 | H47 | 179.9° | 180.0° |
C15 | C14 | C16 | H47 | 180.0° | 180.0° |
C15 | C14 | C16 | N17 | 0.1° | 0.2° |
C15 | C14 | C16 | C19 | 179.9° | 180.0° |
C16 | C14 | C15 | H48 | 179.9° | 180.0° |
C14 | C16 | N17 | C19 | 179.9° | 179.8° |
C14 | C16 | C19 | H50 | 13.8° | 90.0° |
C14 | C16 | C19 | H51 | 133.9° | 150.0° |
C14 | C16 | C19 | H52 | 106.1° | 30.0° |
H47 | C14 | C15 | H48 | 0.1° | 0.0° |
H47 | C14 | C16 | N17 | 179.9° | 179.7° |
H47 | C14 | C16 | C19 | 0.0° | 0.0° |
N17 | C16 | C19 | H50 | 166.1° | 90.3° |
N17 | C16 | C19 | H51 | 46.1° | 29.8° |
N17 | C16 | C19 | H52 | 73.9° | 149.7° |
C16 | C19 | H50 | H51 | 120.0° | 120.1° |
C16 | C19 | H50 | H52 | 120.0° | 120.0° |
C16 | C19 | H51 | H52 | 120.0° | 120.0° |
H50 | C19 | H51 | H52 | 120.0° | 119.9° |
C22 | C21 | H53 | H54 | 120.2° | 120.0° |
C21 | C22 | N23 | H55 | 0.5° | 0.0° |
H53 | C21 | C22 | N23 | 160.9° | 60.0° |
H54 | C21 | C22 | N23 | 41.2° | 60.0° |
C25 | C24 | N26 | O34 | 180.0° | 180.0° |
C24 | C25 | C27 | H56 | 180.0° | 179.9° |
C25 | C24 | N26 | C28 | 0.1° | 0.0° |
C25 | C24 | N26 | H35 | 179.9° | 179.9° |
C24 | C25 | C27 | C29 | 0.0° | 0.0° |
C24 | C25 | C27 | H57 | 179.9° | 179.9° |
N26 | C24 | C25 | C27 | 0.0° | 0.1° |
N26 | C24 | C25 | H56 | 180.0° | 180.0° |
C24 | N26 | C28 | H35 | 180.0° | 180.0° |
C24 | N26 | C28 | C29 | 0.1° | 0.1° |
C24 | N26 | C28 | N33 | 180.0° | 179.8° |
O34 | C24 | C25 | C27 | 180.0° | 180.0° |
O34 | C24 | C25 | H56 | 0.0° | 0.0° |
O34 | C24 | N26 | C28 | 180.0° | 180.0° |
O34 | C24 | N26 | H35 | 0.1° | 0.0° |
C25 | C27 | C29 | H57 | 180.0° | 179.9° |
C25 | C27 | C29 | C28 | 0.0° | 0.1° |
C25 | C27 | C29 | C31 | 180.0° | 180.0° |
H56 | C25 | C27 | C29 | 180.0° | 180.0° |
H56 | C25 | C27 | H57 | 0.1° | 0.0° |
N26 | C28 | C29 | C27 | 0.1° | 0.1° |
N26 | C28 | C29 | N33 | 179.9° | 179.8° |
N26 | C28 | C29 | C31 | 180.0° | 180.0° |
N26 | C28 | N33 | C32 | 180.0° | 179.7° |
H35 | N26 | C28 | C29 | 179.8° | 180.0° |
H35 | N26 | C28 | N33 | 0.0° | 0.2° |
C27 | C29 | C28 | C31 | 179.9° | 179.9° |
C27 | C29 | C28 | N33 | 180.0° | 179.8° |
C27 | C29 | C31 | C30 | 180.0° | 180.0° |
C27 | C29 | C31 | H59 | 0.0° | 0.1° |
H57 | C27 | C29 | C28 | 180.0° | 180.0° |
H57 | C27 | C29 | C31 | 0.1° | 0.1° |
C28 | C29 | C31 | C30 | 0.0° | 0.1° |
C28 | C29 | C31 | H59 | 179.9° | 180.0° |
C29 | C28 | N33 | C32 | 0.1° | 0.5° |
N33 | C28 | C29 | C31 | 0.1° | 0.2° |
C28 | N33 | C32 | C30 | 0.1° | 0.5° |
C29 | C31 | C30 | H59 | 180.0° | 179.9° |
C29 | C31 | C30 | C32 | 0.0° | 0.1° |
C29 | C31 | C30 | H58 | 180.0° | 180.0° |
C31 | C30 | C32 | H58 | 180.0° | 179.9° |
C31 | C30 | C32 | N33 | 0.0° | 0.2° |
C32 | C30 | C31 | H59 | 179.9° | 180.0° |
H58 | C30 | C31 | H59 | 0.1° | 0.1° |
H58 | C30 | C32 | N33 | 180.0° | 179.7° |