N6H
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C19 | C18 | doub | 1.38Å | 0.00Å | Aromatic |
C19 | C14 | sing | 1.38Å | 0.00Å | Aromatic |
C18 | C17 | sing | 1.38Å | 0.00Å | Aromatic |
C13 | C14 | sing | 1.51Å | 0.00Å | |
C13 | N12 | sing | 1.47Å | 0.00Å | |
C14 | C15 | doub | 1.38Å | 0.00Å | Aromatic |
C17 | C16 | doub | 1.38Å | 0.00Å | Aromatic |
N11 | C10 | doub | 1.31Å | 0.00Å | Aromatic |
N11 | C1 | sing | 1.36Å | 0.00Å | Aromatic |
N12 | C10 | sing | 1.38Å | 0.00Å | |
C15 | C16 | sing | 1.38Å | 0.00Å | Aromatic |
C16 | CL2 | sing | 1.74Å | 0.00Å | |
C10 | O9 | sing | 1.34Å | 0.00Å | Aromatic |
C2 | C1 | doub | 1.39Å | 0.00Å | Aromatic |
C2 | C3 | sing | 1.39Å | 0.00Å | Aromatic |
C1 | C8 | sing | 1.40Å | 0.00Å | Aromatic |
C27 | C28 | sing | 1.53Å | 0.00Å | |
C27 | O26 | sing | 1.43Å | 0.00Å | |
C24 | N23 | sing | 1.47Å | 0.00Å | |
C24 | C25 | sing | 1.53Å | 0.00Å | |
C28 | N23 | sing | 1.47Å | 0.00Å | |
N23 | C4 | sing | 1.35Å | 0.00Å | |
C4 | C3 | sing | 1.48Å | 0.00Å | |
C4 | O5 | doub | 1.22Å | 0.00Å | |
C3 | C6 | doub | 1.40Å | 0.00Å | Aromatic |
O26 | C25 | sing | 1.43Å | 0.00Å | |
O9 | C8 | sing | 1.35Å | 0.00Å | Aromatic |
C29 | C25 | sing | 1.53Å | 0.00Å | |
C8 | C7 | doub | 1.39Å | 0.00Å | Aromatic |
C25 | C30 | sing | 1.53Å | 0.00Å | |
C6 | C7 | sing | 1.38Å | 0.00Å | Aromatic |
C7 | O21 | sing | 1.36Å | 0.00Å | |
O21 | C22 | sing | 1.43Å | 0.00Å | |
C6 | H1 | sing | 1.08Å | 0.00Å | |
N12 | H2 | sing | 0.97Å | 0.00Å | |
C13 | H3 | sing | 1.09Å | 0.00Å | |
C13 | H4 | sing | 1.09Å | 0.00Å | |
C15 | H5 | sing | 1.08Å | 0.00Å | |
C17 | H6 | sing | 1.08Å | 0.00Å | |
C22 | H7 | sing | 1.09Å | 0.00Å | |
C22 | H8 | sing | 1.09Å | 0.00Å | |
C22 | H9 | sing | 1.09Å | 0.00Å | |
C24 | H10 | sing | 1.09Å | 0.00Å | |
C24 | H11 | sing | 1.09Å | 0.00Å | |
C28 | H12 | sing | 1.09Å | 0.00Å | |
C28 | H13 | sing | 1.09Å | 0.00Å | |
C29 | H14 | sing | 1.09Å | 0.00Å | |
C29 | H15 | sing | 1.09Å | 0.00Å | |
C29 | H16 | sing | 1.09Å | 0.00Å | |
C30 | H17 | sing | 1.09Å | 0.00Å | |
C30 | H18 | sing | 1.09Å | 0.00Å | |
C30 | H19 | sing | 1.09Å | 0.00Å | |
C27 | H20 | sing | 1.09Å | 0.00Å | |
C27 | H21 | sing | 1.09Å | 0.00Å | |
C2 | H22 | sing | 1.08Å | 0.00Å | |
C18 | H23 | sing | 1.08Å | 0.00Å | |
C19 | H24 | sing | 1.08Å | 0.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C18 | C19 | C14 | 90.0° | 120.0° |
C19 | C18 | C17 | 90.0° | 120.0° |
C19 | C18 | H23 | 90.0° | 120.0° |
C18 | C19 | H24 | 90.0° | 120.0° |
C19 | C14 | C13 | 90.0° | 120.0° |
C19 | C14 | C15 | 90.0° | 120.1° |
C14 | C19 | H24 | 90.0° | 120.0° |
C18 | C17 | C16 | 90.0° | 120.0° |
C18 | C17 | H6 | 90.0° | 120.0° |
C17 | C18 | H23 | 90.0° | 120.0° |
C14 | C13 | N12 | 90.0° | 109.4° |
C13 | C14 | C15 | 90.0° | 119.9° |
C14 | C13 | H3 | 90.0° | 109.5° |
C14 | C13 | H4 | 90.0° | 109.4° |
C13 | N12 | C10 | 90.0° | 120.0° |
C13 | N12 | H2 | 90.0° | 120.0° |
N12 | C13 | H3 | 90.0° | 109.5° |
N12 | C13 | H4 | 90.0° | 109.5° |
C14 | C15 | C16 | 90.0° | 120.0° |
C14 | C15 | H5 | 90.0° | 120.1° |
C17 | C16 | C15 | 90.0° | 119.9° |
C17 | C16 | CL2 | 90.0° | 120.0° |
C16 | C17 | H6 | 90.0° | 120.0° |
C10 | N11 | C1 | 90.0° | 108.7° |
N11 | C10 | N12 | 90.0° | 125.0° |
N11 | C10 | O9 | 90.0° | 110.1° |
N11 | C1 | C2 | 90.0° | 133.5° |
N11 | C1 | C8 | 90.0° | 106.6° |
N12 | C10 | O9 | 90.0° | 124.9° |
C10 | N12 | H2 | 90.0° | 120.0° |
C15 | C16 | CL2 | 90.0° | 120.0° |
C16 | C15 | H5 | 90.0° | 120.0° |
C10 | O9 | C8 | 90.0° | 108.2° |
C1 | C2 | C3 | 90.0° | 119.7° |
C2 | C1 | C8 | 90.0° | 119.8° |
C1 | C2 | H22 | 90.0° | 120.1° |
C2 | C3 | C4 | 90.0° | 119.9° |
C2 | C3 | C6 | 90.0° | 120.1° |
C3 | C2 | H22 | 90.0° | 120.2° |
C1 | C8 | O9 | 90.0° | 106.4° |
C1 | C8 | C7 | 90.0° | 120.1° |
C28 | C27 | O26 | 90.0° | 109.2° |
C27 | C28 | N23 | 90.0° | 108.4° |
C27 | C28 | H12 | 90.0° | 109.7° |
C27 | C28 | H13 | 90.0° | 109.7° |
C28 | C27 | H20 | 90.0° | 109.5° |
C28 | C27 | H21 | 90.0° | 109.5° |
C27 | O26 | C25 | 90.0° | 114.1° |
O26 | C27 | H20 | 90.0° | 109.5° |
O26 | C27 | H21 | 90.0° | 109.5° |
N23 | C24 | C25 | 90.0° | 108.4° |
C24 | N23 | C28 | 90.0° | 118.1° |
C24 | N23 | C4 | 90.0° | 121.0° |
N23 | C24 | H10 | 90.0° | 109.7° |
N23 | C24 | H11 | 90.0° | 109.7° |
C24 | C25 | O26 | 90.0° | 109.2° |
C24 | C25 | C29 | 90.0° | 109.5° |
C24 | C25 | C30 | 90.0° | 109.5° |
C25 | C24 | H10 | 90.0° | 109.7° |
C25 | C24 | H11 | 90.0° | 109.7° |
C28 | N23 | C4 | 90.0° | 121.0° |
N23 | C28 | H12 | 90.0° | 109.7° |
N23 | C28 | H13 | 90.0° | 109.7° |
N23 | C4 | C3 | 90.0° | 120.0° |
N23 | C4 | O5 | 90.0° | 120.0° |
C3 | C4 | O5 | 90.0° | 120.0° |
C4 | C3 | C6 | 90.0° | 119.9° |
C3 | C6 | C7 | 90.0° | 120.3° |
C3 | C6 | H1 | 90.0° | 119.9° |
O26 | C25 | C29 | 90.0° | 109.5° |
O26 | C25 | C30 | 90.0° | 109.5° |
O9 | C8 | C7 | 90.0° | 133.6° |
C29 | C25 | C30 | 90.0° | 109.5° |
C25 | C29 | H14 | 90.0° | 109.5° |
C25 | C29 | H15 | 90.0° | 109.5° |
C25 | C29 | H16 | 90.0° | 109.4° |
C8 | C7 | C6 | 90.0° | 120.0° |
C8 | C7 | O21 | 90.0° | 120.0° |
C25 | C30 | H17 | 90.0° | 109.5° |
C25 | C30 | H18 | 90.0° | 109.5° |
C25 | C30 | H19 | 90.0° | 109.5° |
C6 | C7 | O21 | 90.0° | 120.0° |
C7 | C6 | H1 | 90.0° | 119.9° |
C7 | O21 | C22 | 90.0° | 117.0° |
O21 | C22 | H7 | 90.0° | 109.5° |
O21 | C22 | H8 | 90.0° | 109.5° |
O21 | C22 | H9 | 90.0° | 109.4° |
H3 | C13 | H4 | 90.0° | 109.5° |
H7 | C22 | H8 | 90.0° | 109.5° |
H7 | C22 | H9 | 90.0° | 109.5° |
H8 | C22 | H9 | 90.0° | 109.5° |
H10 | C24 | H11 | 90.0° | 109.7° |
H12 | C28 | H13 | 90.0° | 109.7° |
H14 | C29 | H15 | 90.0° | 109.5° |
H14 | C29 | H16 | 90.0° | 109.5° |
H15 | C29 | H16 | 90.0° | 109.4° |
H17 | C30 | H18 | 90.0° | 109.5° |
H17 | C30 | H19 | 90.0° | 109.5° |
H18 | C30 | H19 | 90.0° | 109.5° |
H20 | C27 | H21 | 90.0° | 109.6° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C18 | C19 | C14 | H24 | 90.0° | 179.7° |
C19 | C18 | C17 | H23 | 90.0° | 179.4° |
C18 | C19 | C14 | C13 | 90.0° | 180.0° |
C18 | C19 | C14 | C15 | 90.0° | 0.0° |
C19 | C18 | C17 | C16 | 90.0° | 0.5° |
C19 | C18 | C17 | H6 | 90.0° | 180.0° |
C14 | C19 | C18 | C17 | 90.0° | 0.3° |
C19 | C14 | C13 | C15 | 90.0° | 179.9° |
C19 | C14 | C13 | N12 | 90.0° | 90.0° |
C19 | C14 | C15 | C16 | 90.0° | 0.1° |
C19 | C14 | C13 | H3 | 90.0° | 150.0° |
C19 | C14 | C13 | H4 | 90.0° | 29.9° |
C19 | C14 | C15 | H5 | 90.0° | 179.7° |
C14 | C19 | C18 | H23 | 90.0° | 179.7° |
C18 | C17 | C16 | H6 | 90.0° | 179.5° |
C18 | C17 | C16 | C15 | 90.0° | 0.6° |
C18 | C17 | C16 | CL2 | 90.0° | 179.5° |
C17 | C18 | C19 | H24 | 90.0° | 180.0° |
C14 | C13 | N12 | H3 | 90.0° | 120.0° |
C14 | C13 | N12 | H4 | 90.0° | 119.9° |
C14 | C13 | N12 | C10 | 90.0° | 180.0° |
C13 | C14 | C15 | C16 | 90.0° | 180.0° |
C14 | C13 | N12 | H2 | 90.0° | 0.0° |
C14 | C13 | H3 | H4 | 90.0° | 120.0° |
C13 | C14 | C15 | H5 | 90.0° | 0.3° |
C13 | C14 | C19 | H24 | 90.0° | 0.3° |
N12 | C13 | C14 | C15 | 90.0° | 90.0° |
C13 | N12 | C10 | N11 | 90.0° | 0.1° |
C13 | N12 | C10 | H2 | 90.0° | 179.9° |
C13 | N12 | C10 | O9 | 90.0° | 180.0° |
N12 | C13 | H3 | H4 | 90.0° | 120.1° |
C14 | C15 | C16 | C17 | 90.0° | 0.3° |
C14 | C15 | C16 | H5 | 90.0° | 179.7° |
C14 | C15 | C16 | CL2 | 90.0° | 179.7° |
C15 | C14 | C13 | H3 | 90.0° | 30.0° |
C15 | C14 | C13 | H4 | 90.0° | 150.0° |
C15 | C14 | C19 | H24 | 90.0° | 179.8° |
C17 | C16 | C15 | CL2 | 90.0° | 180.0° |
C17 | C16 | C15 | H5 | 90.0° | 180.0° |
C16 | C17 | C18 | H23 | 90.0° | 180.0° |
N11 | C10 | N12 | O9 | 90.0° | 179.9° |
C10 | N11 | C1 | C2 | 90.0° | 179.3° |
C10 | N11 | C1 | C8 | 90.0° | 0.2° |
N11 | C10 | O9 | C8 | 90.0° | 0.1° |
N11 | C10 | N12 | H2 | 90.0° | 180.0° |
C1 | N11 | C10 | N12 | 90.0° | 179.9° |
C1 | N11 | C10 | O9 | 90.0° | 0.2° |
N11 | C1 | C2 | C8 | 90.0° | 179.1° |
N11 | C1 | C2 | C3 | 90.0° | 179.9° |
N11 | C1 | C8 | O9 | 90.0° | 0.1° |
N11 | C1 | C8 | C7 | 90.0° | 179.9° |
N11 | C1 | C2 | H22 | 90.0° | 0.9° |
N12 | C10 | O9 | C8 | 90.0° | 180.0° |
C10 | N12 | C13 | H3 | 90.0° | 60.0° |
C10 | N12 | C13 | H4 | 90.0° | 60.1° |
C15 | C16 | C17 | H6 | 90.0° | 180.0° |
CL2 | C16 | C15 | H5 | 90.0° | 0.0° |
CL2 | C16 | C17 | H6 | 90.0° | 0.0° |
C10 | O9 | C8 | C1 | 90.0° | 0.0° |
C10 | O9 | C8 | C7 | 90.0° | 180.0° |
O9 | C10 | N12 | H2 | 90.0° | 0.1° |
C1 | C2 | C3 | H22 | 90.0° | 179.2° |
C1 | C2 | C3 | C4 | 90.0° | 179.5° |
C1 | C2 | C3 | C6 | 90.0° | 0.6° |
C2 | C1 | C8 | O9 | 90.0° | 179.4° |
C2 | C1 | C8 | C7 | 90.0° | 0.6° |
C3 | C2 | C1 | C8 | 90.0° | 0.9° |
C2 | C3 | C4 | N23 | 90.0° | 39.2° |
C2 | C3 | C4 | C6 | 90.0° | 180.0° |
C2 | C3 | C4 | O5 | 90.0° | 141.2° |
C2 | C3 | C6 | C7 | 90.0° | 0.0° |
C2 | C3 | C6 | H1 | 90.0° | 179.8° |
C1 | C8 | O9 | C7 | 90.0° | 180.0° |
C1 | C8 | C7 | C6 | 90.0° | 0.1° |
C1 | C8 | C7 | O21 | 90.0° | 179.9° |
C8 | C1 | C2 | H22 | 90.0° | 180.0° |
C28 | C27 | O26 | H20 | 90.0° | 120.0° |
C28 | C27 | O26 | H21 | 90.0° | 119.9° |
C27 | C28 | N23 | C24 | 90.0° | 50.6° |
C27 | C28 | N23 | H12 | 90.0° | 119.7° |
C27 | C28 | N23 | H13 | 90.0° | 119.7° |
C27 | C28 | N23 | C4 | 90.0° | 129.5° |
C28 | C27 | O26 | C25 | 90.0° | 62.6° |
C27 | C28 | H12 | H13 | 90.0° | 120.5° |
C28 | C27 | H20 | H21 | 90.0° | 120.1° |
C27 | O26 | C25 | C24 | 90.0° | 62.5° |
O26 | C27 | C28 | N23 | 90.0° | 52.3° |
C27 | O26 | C25 | C29 | 90.0° | 57.4° |
C27 | O26 | C25 | C30 | 90.0° | 177.5° |
O26 | C27 | C28 | H12 | 90.0° | 67.4° |
O26 | C27 | C28 | H13 | 90.0° | 172.1° |
O26 | C27 | H20 | H21 | 90.0° | 120.1° |
N23 | C24 | C25 | H10 | 90.0° | 119.8° |
N23 | C24 | C25 | H11 | 90.0° | 119.7° |
C24 | N23 | C28 | C4 | 90.0° | 180.0° |
C24 | N23 | C4 | C3 | 90.0° | 5.5° |
C24 | N23 | C4 | O5 | 90.0° | 174.2° |
N23 | C24 | C25 | O26 | 90.0° | 52.3° |
N23 | C24 | C25 | C29 | 90.0° | 67.6° |
N23 | C24 | C25 | C30 | 90.0° | 172.2° |
N23 | C24 | H10 | H11 | 90.0° | 120.6° |
C24 | N23 | C28 | H12 | 90.0° | 69.1° |
C24 | N23 | C28 | H13 | 90.0° | 170.3° |
C25 | C24 | N23 | C28 | 90.0° | 50.6° |
C25 | C24 | N23 | C4 | 90.0° | 129.5° |
C24 | C25 | O26 | C29 | 90.0° | 119.9° |
C24 | C25 | O26 | C30 | 90.0° | 120.0° |
C24 | C25 | C29 | C30 | 90.0° | 120.1° |
C25 | C24 | H10 | H11 | 90.0° | 120.5° |
C24 | C25 | C29 | H14 | 90.0° | 60.0° |
C24 | C25 | C29 | H15 | 90.0° | 180.0° |
C24 | C25 | C29 | H16 | 90.0° | 60.0° |
C24 | C25 | C30 | H17 | 90.0° | 60.0° |
C24 | C25 | C30 | H18 | 90.0° | 180.0° |
C24 | C25 | C30 | H19 | 90.0° | 60.0° |
C28 | N23 | C4 | C3 | 90.0° | 174.5° |
C28 | N23 | C4 | O5 | 90.0° | 5.8° |
C28 | N23 | C24 | H10 | 90.0° | 170.3° |
C28 | N23 | C24 | H11 | 90.0° | 69.1° |
N23 | C28 | H12 | H13 | 90.0° | 120.6° |
N23 | C28 | C27 | H20 | 90.0° | 67.6° |
N23 | C28 | C27 | H21 | 90.0° | 172.2° |
N23 | C4 | C3 | O5 | 90.0° | 179.7° |
N23 | C4 | C3 | C6 | 90.0° | 140.8° |
C4 | N23 | C24 | H10 | 90.0° | 9.8° |
C4 | N23 | C24 | H11 | 90.0° | 110.8° |
C4 | N23 | C28 | H12 | 90.0° | 110.8° |
C4 | N23 | C28 | H13 | 90.0° | 9.7° |
C4 | C3 | C6 | C7 | 90.0° | 180.0° |
C4 | C3 | C6 | H1 | 90.0° | 0.2° |
C4 | C3 | C2 | H22 | 90.0° | 0.3° |
O5 | C4 | C3 | C6 | 90.0° | 38.9° |
C3 | C6 | C7 | C8 | 90.0° | 0.3° |
C3 | C6 | C7 | H1 | 90.0° | 179.8° |
C3 | C6 | C7 | O21 | 90.0° | 179.8° |
C6 | C3 | C2 | H22 | 90.0° | 179.7° |
O26 | C25 | C29 | C30 | 90.0° | 120.1° |
O26 | C25 | C24 | H10 | 90.0° | 172.0° |
O26 | C25 | C24 | H11 | 90.0° | 67.5° |
O26 | C25 | C29 | H14 | 90.0° | 59.8° |
O26 | C25 | C29 | H15 | 90.0° | 60.2° |
O26 | C25 | C29 | H16 | 90.0° | 179.8° |
O26 | C25 | C30 | H17 | 90.0° | 179.8° |
O26 | C25 | C30 | H18 | 90.0° | 60.2° |
O26 | C25 | C30 | H19 | 90.0° | 59.8° |
C25 | O26 | C27 | H20 | 90.0° | 57.4° |
C25 | O26 | C27 | H21 | 90.0° | 177.5° |
O9 | C8 | C7 | C6 | 90.0° | 180.0° |
O9 | C8 | C7 | O21 | 90.0° | 0.1° |
C29 | C25 | C24 | H10 | 90.0° | 52.1° |
C29 | C25 | C24 | H11 | 90.0° | 172.6° |
C25 | C29 | H14 | H15 | 90.0° | 120.0° |
C25 | C29 | H14 | H16 | 90.0° | 120.0° |
C25 | C29 | H15 | H16 | 90.0° | 120.0° |
C29 | C25 | C30 | H17 | 90.0° | 60.1° |
C29 | C25 | C30 | H18 | 90.0° | 59.9° |
C29 | C25 | C30 | H19 | 90.0° | 179.9° |
C8 | C7 | C6 | O21 | 90.0° | 180.0° |
C8 | C7 | O21 | C22 | 90.0° | 180.0° |
C8 | C7 | C6 | H1 | 90.0° | 180.0° |
C30 | C25 | C24 | H10 | 90.0° | 68.0° |
C30 | C25 | C24 | H11 | 90.0° | 52.5° |
C30 | C25 | C29 | H14 | 90.0° | 179.9° |
C30 | C25 | C29 | H15 | 90.0° | 59.9° |
C30 | C25 | C29 | H16 | 90.0° | 60.1° |
C25 | C30 | H17 | H18 | 90.0° | 120.0° |
C25 | C30 | H17 | H19 | 90.0° | 120.0° |
C25 | C30 | H18 | H19 | 90.0° | 120.0° |
C6 | C7 | O21 | C22 | 90.0° | 0.0° |
O21 | C7 | C6 | H1 | 90.0° | 0.0° |
C7 | O21 | C22 | H7 | 90.0° | 60.0° |
C7 | O21 | C22 | H8 | 90.0° | 180.0° |
C7 | O21 | C22 | H9 | 90.0° | 60.0° |
O21 | C22 | H7 | H8 | 90.0° | 120.0° |
O21 | C22 | H7 | H9 | 90.0° | 120.0° |
O21 | C22 | H8 | H9 | 90.0° | 119.9° |
H2 | N12 | C13 | H3 | 90.0° | 120.0° |
H2 | N12 | C13 | H4 | 90.0° | 119.9° |
H6 | C17 | C18 | H23 | 90.0° | 0.5° |
H7 | C22 | H8 | H9 | 90.0° | 120.0° |
H12 | C28 | C27 | H20 | 90.0° | 172.6° |
H12 | C28 | C27 | H21 | 90.0° | 52.5° |
H13 | C28 | C27 | H20 | 90.0° | 52.1° |
H13 | C28 | C27 | H21 | 90.0° | 68.0° |
H14 | C29 | H15 | H16 | 90.0° | 120.0° |
H17 | C30 | H18 | H19 | 90.0° | 120.0° |
H23 | C18 | C19 | H24 | 90.0° | 0.6° |