Z7T
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N01 | C02 | sing | 1.35Å | 1.45Å | |
C02 | O03 | doub | 1.21Å | 1.18Å | |
C02 | C04 | sing | 1.48Å | 1.53Å | |
C05 | C04 | doub | 1.40Å | 1.38Å | Aromatic |
C05 | C06 | sing | 1.38Å | 1.38Å | Aromatic |
C04 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
C06 | N07 | doub | 1.32Å | 1.32Å | Aromatic |
C15 | C08 | doub | 1.39Å | 1.39Å | Aromatic |
N07 | C08 | sing | 1.32Å | 1.32Å | Aromatic |
C08 | N09 | sing | 1.39Å | 1.46Å | |
N09 | C10 | sing | 1.47Å | 1.45Å | |
C10 | C14 | sing | 1.54Å | 1.55Å | |
C10 | C11 | sing | 1.54Å | 1.55Å | |
C14 | C13 | sing | 1.54Å | 1.49Å | |
C11 | C12 | sing | 1.55Å | 1.53Å | |
C13 | C12 | sing | 1.55Å | 1.52Å | |
C10 | H1 | sing | 1.09Å | 1.10Å | |
C13 | H2 | sing | 1.09Å | 1.10Å | |
C13 | H3 | sing | 1.09Å | 1.10Å | |
C15 | H4 | sing | 1.08Å | 1.08Å | |
N01 | H5 | sing | 0.97Å | 1.00Å | |
N01 | H6 | sing | 0.97Å | 1.00Å | |
C05 | H7 | sing | 1.08Å | 1.08Å | |
C06 | H8 | sing | 1.08Å | 1.08Å | |
N09 | H9 | sing | 0.97Å | 1.00Å | |
C11 | H10 | sing | 1.09Å | 1.10Å | |
C11 | H11 | sing | 1.09Å | 1.10Å | |
C12 | H12 | sing | 1.09Å | 1.10Å | |
C12 | H13 | sing | 1.09Å | 1.10Å | |
C14 | H14 | sing | 1.09Å | 1.10Å | |
C14 | H15 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N01 | C02 | O03 | 119.6° | 120.1° |
N01 | C02 | C04 | 120.2° | 120.0° |
C02 | N01 | H5 | 120.0° | 119.9° |
C02 | N01 | H6 | 120.0° | 120.0° |
O03 | C02 | C04 | 120.2° | 120.0° |
C02 | C04 | C05 | 119.5° | 120.8° |
C02 | C04 | C15 | 120.6° | 120.9° |
C04 | C05 | C06 | 118.3° | 119.1° |
C05 | C04 | C15 | 119.9° | 118.3° |
C04 | C05 | H7 | 120.9° | 120.5° |
C05 | C06 | N07 | 120.9° | 121.0° |
C06 | C05 | H7 | 120.8° | 120.4° |
C05 | C06 | H8 | 119.5° | 119.5° |
C04 | C15 | C08 | 118.1° | 118.9° |
C04 | C15 | H4 | 121.0° | 120.6° |
C06 | N07 | C08 | 122.0° | 122.0° |
N07 | C06 | H8 | 119.6° | 119.5° |
C15 | C08 | N07 | 120.7° | 120.7° |
C15 | C08 | N09 | 119.8° | 119.7° |
C08 | C15 | H4 | 121.0° | 120.5° |
N07 | C08 | N09 | 119.3° | 119.6° |
C08 | N09 | C10 | 124.2° | 120.0° |
C08 | N09 | H9 | 105.7° | 120.0° |
N09 | C10 | C14 | 112.9° | 110.0° |
N09 | C10 | C11 | 108.9° | 110.0° |
N09 | C10 | H1 | 110.3° | 110.1° |
C10 | N09 | H9 | 105.7° | 120.0° |
C14 | C10 | C11 | 106.8° | 106.5° |
C10 | C14 | C13 | 107.5° | 106.6° |
C14 | C10 | H1 | 108.9° | 110.0° |
C10 | C14 | H14 | 110.0° | 110.0° |
C10 | C14 | H15 | 110.0° | 110.0° |
C10 | C11 | C12 | 105.8° | 104.3° |
C11 | C10 | H1 | 108.9° | 110.1° |
C10 | C11 | H10 | 110.4° | 110.5° |
C10 | C11 | H11 | 110.4° | 110.5° |
C14 | C13 | C12 | 107.4° | 104.2° |
C14 | C13 | H2 | 110.0° | 110.5° |
C14 | C13 | H3 | 110.0° | 110.6° |
C13 | C14 | H14 | 110.0° | 110.1° |
C13 | C14 | H15 | 110.0° | 110.1° |
C11 | C12 | C13 | 107.2° | 102.7° |
C12 | C11 | H10 | 110.4° | 110.5° |
C12 | C11 | H11 | 110.4° | 110.5° |
C11 | C12 | H12 | 110.0° | 110.8° |
C11 | C12 | H13 | 110.0° | 110.7° |
C12 | C13 | H2 | 110.0° | 110.5° |
C12 | C13 | H3 | 110.0° | 110.5° |
C13 | C12 | H12 | 110.0° | 110.8° |
C13 | C12 | H13 | 110.0° | 110.7° |
H2 | C13 | H3 | 109.5° | 110.4° |
H5 | N01 | H6 | 120.0° | 120.0° |
H10 | C11 | H11 | 109.5° | 110.4° |
H12 | C12 | H13 | 109.5° | 110.8° |
H14 | C14 | H15 | 109.5° | 110.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N01 | C02 | O03 | C04 | 179.3° | 179.9° |
N01 | C02 | C04 | C05 | 29.5° | 0.0° |
N01 | C02 | C04 | C15 | 150.9° | 180.0° |
C02 | N01 | H5 | H6 | 180.0° | 179.9° |
O03 | C02 | C04 | C05 | 151.3° | 180.0° |
O03 | C02 | C04 | C15 | 28.4° | 0.0° |
O03 | C02 | N01 | H5 | 0.0° | 0.0° |
O03 | C02 | N01 | H6 | 180.0° | 180.0° |
C02 | C04 | C05 | C15 | 179.6° | 180.0° |
C02 | C04 | C05 | C06 | 179.8° | 180.0° |
C02 | C04 | C15 | C08 | 179.2° | 180.0° |
C02 | C04 | C15 | H4 | 0.8° | 0.3° |
C04 | C02 | N01 | H5 | 179.2° | 180.0° |
C04 | C02 | N01 | H6 | 0.8° | 0.1° |
C02 | C04 | C05 | H7 | 0.2° | 0.0° |
C04 | C05 | C06 | H7 | 180.0° | 180.0° |
C04 | C05 | C06 | N07 | 1.6° | 0.0° |
C05 | C04 | C15 | C08 | 0.5° | 0.0° |
C05 | C04 | C15 | H4 | 179.6° | 179.7° |
C04 | C05 | C06 | H8 | 178.4° | 180.0° |
C06 | C05 | C04 | C15 | 0.2° | 0.0° |
C05 | C06 | N07 | H8 | 180.0° | 180.0° |
C05 | C06 | N07 | C08 | 4.1° | 0.0° |
C04 | C15 | C08 | H4 | 180.0° | 179.7° |
C04 | C15 | C08 | N07 | 2.8° | 0.0° |
C04 | C15 | C08 | N09 | 177.4° | 179.7° |
C15 | C04 | C05 | H7 | 179.8° | 180.0° |
C06 | N07 | C08 | C15 | 4.7° | 0.0° |
C06 | N07 | C08 | N09 | 179.3° | 179.7° |
N07 | C06 | C05 | H7 | 178.4° | 180.0° |
C15 | C08 | N07 | N09 | 174.6° | 179.7° |
C15 | C08 | N09 | C10 | 102.2° | 0.0° |
C15 | C08 | N09 | H9 | 19.9° | 179.9° |
N07 | C08 | N09 | C10 | 83.2° | 179.7° |
N07 | C08 | C15 | H4 | 177.2° | 179.7° |
C08 | N07 | C06 | H8 | 175.9° | 180.0° |
N07 | C08 | N09 | H9 | 154.7° | 0.3° |
C08 | N09 | C10 | H9 | 122.0° | 179.9° |
C08 | N09 | C10 | C14 | 52.7° | 155.0° |
C08 | N09 | C10 | C11 | 171.2° | 87.9° |
C08 | N09 | C10 | H1 | 69.3° | 33.6° |
N09 | C08 | C15 | H4 | 2.6° | 0.0° |
N09 | C10 | C14 | C11 | 119.7° | 119.3° |
N09 | C10 | C14 | H1 | 122.9° | 121.5° |
N09 | C10 | C11 | H1 | 120.4° | 121.5° |
N09 | C10 | C14 | C13 | 111.7° | 119.3° |
N09 | C10 | C11 | C12 | 128.7° | 95.6° |
N09 | C10 | C11 | H10 | 111.8° | 145.6° |
N09 | C10 | C11 | H11 | 9.3° | 23.1° |
N09 | C10 | C14 | H14 | 8.0° | 0.1° |
N09 | C10 | C14 | H15 | 128.6° | 121.4° |
C14 | C10 | C11 | H1 | 117.4° | 119.3° |
C10 | C14 | C13 | H14 | 119.7° | 119.3° |
C10 | C14 | C13 | H15 | 119.7° | 119.3° |
C14 | C10 | C11 | C12 | 6.5° | 23.6° |
C10 | C14 | C13 | C12 | 19.6° | 23.6° |
C10 | C14 | C13 | H2 | 100.0° | 95.1° |
C10 | C14 | C13 | H3 | 139.3° | 142.3° |
C14 | C10 | N09 | H9 | 174.8° | 25.0° |
C14 | C10 | C11 | H10 | 126.0° | 95.2° |
C14 | C10 | C11 | H11 | 112.9° | 142.3° |
C10 | C14 | H14 | H15 | 120.9° | 121.4° |
C11 | C10 | C14 | C13 | 8.0° | 0.0° |
C10 | C11 | C12 | H10 | 119.4° | 118.7° |
C10 | C11 | C12 | H11 | 119.4° | 118.7° |
C10 | C11 | C12 | C13 | 18.5° | 38.0° |
C11 | C10 | N09 | H9 | 66.8° | 92.1° |
C10 | C11 | H10 | H11 | 121.7° | 122.6° |
C10 | C11 | C12 | H12 | 101.2° | 80.4° |
C10 | C11 | C12 | H13 | 138.2° | 156.2° |
C11 | C10 | C14 | H14 | 127.6° | 119.3° |
C11 | C10 | C14 | H15 | 111.7° | 119.4° |
C14 | C13 | C12 | C11 | 24.0° | 38.0° |
C14 | C13 | C12 | H2 | 119.7° | 118.7° |
C14 | C13 | C12 | H3 | 119.7° | 118.8° |
C13 | C14 | C10 | H1 | 125.5° | 119.3° |
C14 | C13 | H2 | H3 | 121.0° | 122.7° |
C14 | C13 | C12 | H12 | 95.7° | 80.4° |
C14 | C13 | C12 | H13 | 143.7° | 156.2° |
C13 | C14 | H14 | H15 | 121.0° | 121.4° |
C11 | C12 | C13 | H12 | 119.7° | 118.3° |
C11 | C12 | C13 | H13 | 119.7° | 118.3° |
C12 | C11 | C10 | H1 | 110.9° | 142.9° |
C11 | C12 | C13 | H2 | 95.7° | 80.7° |
C11 | C12 | C13 | H3 | 143.7° | 156.7° |
C12 | C11 | H10 | H11 | 121.7° | 122.6° |
C11 | C12 | H12 | H13 | 121.0° | 123.3° |
C12 | C13 | H2 | H3 | 120.9° | 122.5° |
C13 | C12 | C11 | H10 | 137.9° | 80.8° |
C13 | C12 | C11 | H11 | 100.9° | 156.7° |
C13 | C12 | H12 | H13 | 121.0° | 123.3° |
C12 | C13 | C14 | H14 | 139.3° | 95.7° |
C12 | C13 | C14 | H15 | 100.0° | 142.9° |
H1 | C10 | N09 | H9 | 52.7° | 146.4° |
H1 | C10 | C11 | H10 | 8.6° | 24.1° |
H1 | C10 | C11 | H11 | 129.7° | 98.4° |
H1 | C10 | C14 | H14 | 114.9° | 121.4° |
H1 | C10 | C14 | H15 | 5.8° | 0.1° |
H2 | C13 | C12 | H12 | 144.7° | 160.9° |
H2 | C13 | C12 | H13 | 24.0° | 37.5° |
H2 | C13 | C14 | H14 | 19.6° | 145.6° |
H2 | C13 | C14 | H15 | 140.3° | 24.2° |
H3 | C13 | C12 | H12 | 24.0° | 38.4° |
H3 | C13 | C12 | H13 | 96.7° | 85.0° |
H3 | C13 | C14 | H14 | 101.0° | 23.0° |
H3 | C13 | C14 | H15 | 19.6° | 98.4° |
H7 | C05 | C06 | H8 | 1.6° | 0.0° |
H10 | C11 | C12 | H12 | 18.3° | 160.9° |
H10 | C11 | C12 | H13 | 102.4° | 37.5° |
H11 | C11 | C12 | H12 | 139.4° | 38.3° |
H11 | C11 | C12 | H13 | 18.7° | 85.1° |