LH8
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N05 | C04 | doub | 1.30Å | 1.30Å | |
C04 | N01 | sing | 1.38Å | 1.35Å | |
C04 | C07 | sing | 1.48Å | 1.50Å | |
C08 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
C08 | C07 | sing | 1.39Å | 1.39Å | Aromatic |
C10 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
C07 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
O33 | B32 | sing | 1.42Å | 1.36Å | |
O35 | B32 | sing | 1.43Å | 1.38Å | |
O35 | C17 | sing | 1.43Å | 1.46Å | |
B32 | C31 | sing | 1.58Å | 1.54Å | |
C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
C12 | C17 | sing | 1.51Å | 1.51Å | |
C15 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
C17 | C19 | sing | 1.53Å | 1.52Å | |
C31 | C29 | doub | 1.39Å | 1.41Å | Aromatic |
C31 | C22 | sing | 1.40Å | 1.42Å | Aromatic |
C19 | C22 | sing | 1.50Å | 1.51Å | |
C29 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
C22 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
C27 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
C23 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
C10 | H1 | sing | 1.08Å | 1.08Å | |
C13 | H2 | sing | 1.08Å | 1.08Å | |
C15 | H3 | sing | 1.08Å | 1.08Å | |
C17 | H4 | sing | 1.09Å | 1.10Å | |
N01 | H5 | sing | 0.97Å | 1.00Å | |
N01 | H6 | sing | 0.97Å | 1.00Å | |
N05 | H7 | sing | 0.97Å | 1.00Å | |
C08 | H8 | sing | 1.08Å | 1.08Å | |
C19 | H9 | sing | 1.09Å | 1.10Å | |
C19 | H10 | sing | 1.09Å | 1.10Å | |
C23 | H11 | sing | 1.08Å | 1.08Å | |
C25 | H12 | sing | 1.08Å | 1.08Å | |
C27 | H13 | sing | 1.08Å | 1.08Å | |
C29 | H14 | sing | 1.08Å | 1.08Å | |
O33 | H15 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N05 | C04 | N01 | 118.8° | 120.0° |
N05 | C04 | C07 | 123.4° | 120.0° |
C04 | N05 | H7 | 112.0° | 120.0° |
N01 | C04 | C07 | 117.7° | 120.0° |
C04 | N01 | H5 | 120.0° | 120.0° |
C04 | N01 | H6 | 120.0° | 120.0° |
C04 | C07 | C08 | 120.5° | 120.1° |
C04 | C07 | C15 | 121.2° | 120.1° |
C10 | C08 | C07 | 120.8° | 119.9° |
C08 | C10 | C12 | 121.2° | 120.1° |
C08 | C10 | H1 | 119.4° | 119.9° |
C10 | C08 | H8 | 119.6° | 120.0° |
C08 | C07 | C15 | 118.3° | 119.8° |
C07 | C08 | H8 | 119.6° | 120.1° |
C10 | C12 | C13 | 118.0° | 120.3° |
C10 | C12 | C17 | 120.3° | 119.9° |
C12 | C10 | H1 | 119.4° | 119.9° |
C07 | C15 | C13 | 120.6° | 119.8° |
C07 | C15 | H3 | 119.7° | 120.1° |
O33 | B32 | O35 | 114.1° | 122.0° |
O33 | B32 | C31 | 122.4° | 122.0° |
B32 | O33 | H15 | 109.5° | 114.0° |
B32 | O35 | C17 | 124.5° | 111.3° |
O35 | B32 | C31 | 115.3° | 115.9° |
O35 | C17 | C12 | 110.7° | 109.2° |
O35 | C17 | C19 | 111.5° | 110.3° |
O35 | C17 | H4 | 107.1° | 109.3° |
B32 | C31 | C29 | 123.9° | 121.1° |
B32 | C31 | C22 | 118.2° | 118.3° |
C13 | C12 | C17 | 121.2° | 119.9° |
C12 | C13 | C15 | 121.0° | 120.1° |
C12 | C13 | H2 | 119.5° | 119.9° |
C12 | C17 | C19 | 114.1° | 109.3° |
C12 | C17 | H4 | 106.5° | 109.3° |
C15 | C13 | H2 | 119.5° | 119.9° |
C13 | C15 | H3 | 119.7° | 120.1° |
C17 | C19 | C22 | 110.4° | 111.2° |
C19 | C17 | H4 | 106.4° | 109.3° |
C17 | C19 | H9 | 109.2° | 109.1° |
C17 | C19 | H10 | 109.3° | 109.2° |
C29 | C31 | C22 | 117.6° | 120.5° |
C31 | C29 | C27 | 121.7° | 119.5° |
C31 | C29 | H14 | 119.1° | 120.2° |
C31 | C22 | C19 | 118.4° | 120.3° |
C31 | C22 | C23 | 119.9° | 119.4° |
C19 | C22 | C23 | 121.6° | 120.3° |
C22 | C19 | H9 | 109.2° | 109.1° |
C22 | C19 | H10 | 109.2° | 109.1° |
C29 | C27 | C25 | 119.9° | 120.0° |
C29 | C27 | H13 | 120.1° | 120.0° |
C27 | C29 | H14 | 119.1° | 120.3° |
C22 | C23 | C25 | 120.9° | 120.0° |
C22 | C23 | H11 | 119.6° | 120.0° |
C27 | C25 | C23 | 120.0° | 120.6° |
C27 | C25 | H12 | 120.0° | 119.7° |
C25 | C27 | H13 | 120.0° | 120.0° |
C25 | C23 | H11 | 119.6° | 120.0° |
C23 | C25 | H12 | 120.0° | 119.7° |
H5 | N01 | H6 | 120.0° | 120.0° |
H9 | C19 | H10 | 109.4° | 109.1° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N05 | C04 | N01 | C07 | 176.1° | 179.9° |
N05 | C04 | C07 | C08 | 40.5° | 179.3° |
N05 | C04 | C07 | C15 | 140.8° | 0.1° |
N05 | C04 | N01 | H5 | 176.1° | 180.0° |
N05 | C04 | N01 | H6 | 3.9° | 0.1° |
N01 | C04 | C07 | C08 | 135.5° | 0.8° |
N01 | C04 | C07 | C15 | 43.3° | 180.0° |
C04 | N01 | H5 | H6 | 180.0° | 179.9° |
N01 | C04 | N05 | H7 | 175.9° | 180.0° |
C04 | C07 | C08 | C10 | 179.5° | 179.7° |
C04 | C07 | C08 | C15 | 178.8° | 179.2° |
C04 | C07 | C15 | C13 | 178.8° | 179.9° |
C04 | C07 | C15 | H3 | 1.2° | 0.6° |
C07 | C04 | N01 | H5 | 0.0° | 0.1° |
C07 | C04 | N01 | H6 | 180.0° | 180.0° |
C07 | C04 | N05 | H7 | 0.0° | 0.1° |
C04 | C07 | C08 | H8 | 0.5° | 0.3° |
C10 | C08 | C07 | H8 | 180.0° | 180.0° |
C08 | C10 | C12 | H1 | 180.0° | 179.8° |
C10 | C08 | C07 | C15 | 0.7° | 0.5° |
C08 | C10 | C12 | C13 | 2.3° | 0.2° |
C08 | C10 | C12 | C17 | 174.1° | 179.8° |
C07 | C08 | C10 | C12 | 0.5° | 0.1° |
C08 | C07 | C15 | C13 | 0.0° | 0.7° |
C07 | C08 | C10 | H1 | 179.5° | 179.8° |
C08 | C07 | C15 | H3 | 180.0° | 179.8° |
C10 | C12 | C17 | O35 | 10.4° | 144.3° |
C10 | C12 | C13 | C17 | 171.7° | 179.9° |
C10 | C12 | C13 | C15 | 3.0° | 0.0° |
C10 | C12 | C17 | C19 | 116.4° | 94.9° |
C10 | C12 | C13 | H2 | 177.0° | 179.9° |
C10 | C12 | C17 | H4 | 126.5° | 24.7° |
C12 | C10 | C08 | H8 | 179.5° | 179.9° |
C07 | C15 | C13 | C12 | 1.9° | 0.5° |
C07 | C15 | C13 | H3 | 180.0° | 179.5° |
C07 | C15 | C13 | H2 | 178.1° | 179.5° |
C15 | C07 | C08 | H8 | 179.3° | 179.5° |
O33 | B32 | O35 | C31 | 149.3° | 179.9° |
O33 | B32 | O35 | C17 | 160.0° | 138.7° |
O33 | B32 | C31 | C29 | 5.7° | 8.5° |
O33 | B32 | C31 | C22 | 168.2° | 171.3° |
B32 | O35 | C17 | C12 | 153.9° | 174.2° |
B32 | O35 | C17 | C19 | 25.7° | 65.6° |
O35 | B32 | C31 | C29 | 152.2° | 171.4° |
O35 | B32 | C31 | C22 | 21.6° | 8.8° |
B32 | O35 | C17 | H4 | 90.4° | 54.6° |
O35 | B32 | O33 | H15 | 0.0° | 0.1° |
C17 | O35 | B32 | C31 | 10.7° | 41.4° |
O35 | C17 | C12 | C13 | 161.1° | 35.8° |
O35 | C17 | C12 | C19 | 126.8° | 120.8° |
O35 | C17 | C12 | H4 | 116.1° | 119.6° |
O35 | C17 | C19 | H4 | 116.5° | 120.3° |
O35 | C17 | C19 | C22 | 50.2° | 55.8° |
O35 | C17 | C19 | H9 | 70.0° | 64.6° |
O35 | C17 | C19 | H10 | 170.3° | 176.3° |
B32 | C31 | C29 | C22 | 173.9° | 179.7° |
B32 | C31 | C22 | C19 | 5.6° | 0.7° |
B32 | C31 | C29 | C27 | 174.3° | 179.5° |
B32 | C31 | C22 | C23 | 174.9° | 179.5° |
B32 | C31 | C29 | H14 | 5.7° | 0.5° |
C31 | B32 | O33 | H15 | 146.9° | 180.0° |
C12 | C13 | C15 | H2 | 180.0° | 180.0° |
C13 | C12 | C17 | C19 | 72.2° | 85.0° |
C13 | C12 | C10 | H1 | 177.6° | 180.0° |
C12 | C13 | C15 | H3 | 178.1° | 180.0° |
C13 | C12 | C17 | H4 | 45.0° | 155.4° |
C17 | C12 | C13 | C15 | 174.7° | 180.0° |
C12 | C17 | C19 | H4 | 117.2° | 119.7° |
C12 | C17 | C19 | C22 | 176.5° | 175.9° |
C17 | C12 | C10 | H1 | 5.9° | 0.1° |
C17 | C12 | C13 | H2 | 5.3° | 0.0° |
C12 | C17 | C19 | H9 | 56.4° | 55.5° |
C12 | C17 | C19 | H10 | 63.3° | 63.6° |
C17 | C19 | C22 | C31 | 41.4° | 23.2° |
C17 | C19 | C22 | H9 | 120.2° | 120.4° |
C17 | C19 | C22 | H10 | 120.2° | 120.5° |
C17 | C19 | C22 | C23 | 139.0° | 156.9° |
C17 | C19 | H9 | H10 | 119.6° | 119.2° |
C29 | C31 | C22 | C19 | 179.8° | 179.6° |
C31 | C29 | C27 | H14 | 180.0° | 179.9° |
C29 | C31 | C22 | C23 | 0.6° | 0.2° |
C31 | C29 | C27 | C25 | 0.2° | 0.0° |
C31 | C29 | C27 | H13 | 179.8° | 180.0° |
C31 | C22 | C19 | C23 | 179.5° | 179.8° |
C22 | C31 | C29 | C27 | 0.4° | 0.2° |
C31 | C22 | C23 | C25 | 0.3° | 0.1° |
C31 | C22 | C19 | H9 | 78.7° | 97.1° |
C31 | C22 | C19 | H10 | 161.6° | 143.7° |
C31 | C22 | C23 | H11 | 179.6° | 179.9° |
C22 | C31 | C29 | H14 | 179.6° | 179.7° |
C19 | C22 | C23 | C25 | 179.9° | 179.8° |
C22 | C19 | C17 | H4 | 66.3° | 64.4° |
C22 | C19 | H9 | H10 | 119.5° | 119.2° |
C19 | C22 | C23 | H11 | 0.1° | 0.2° |
C29 | C27 | C25 | H13 | 180.0° | 180.0° |
C29 | C27 | C25 | C23 | 0.5° | 0.1° |
C29 | C27 | C25 | H12 | 179.5° | 179.9° |
C22 | C23 | C25 | C27 | 0.2° | 0.1° |
C22 | C23 | C25 | H11 | 180.0° | 180.0° |
C23 | C22 | C19 | H9 | 100.8° | 82.7° |
C23 | C22 | C19 | H10 | 18.9° | 36.4° |
C22 | C23 | C25 | H12 | 179.7° | 179.9° |
C27 | C25 | C23 | H12 | 180.0° | 180.0° |
C27 | C25 | C23 | H11 | 179.8° | 179.9° |
C25 | C27 | C29 | H14 | 179.8° | 179.9° |
C23 | C25 | C27 | H13 | 179.5° | 179.9° |
H1 | C10 | C08 | H8 | 0.5° | 0.3° |
H2 | C13 | C15 | H3 | 1.9° | 0.0° |
H4 | C17 | C19 | H9 | 173.6° | 175.2° |
H4 | C17 | C19 | H10 | 53.9° | 56.0° |
H11 | C23 | C25 | H12 | 0.2° | 0.1° |
H12 | C25 | C27 | H13 | 0.5° | 0.1° |
H13 | C27 | C29 | H14 | 0.2° | 0.1° |