1TZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C09 | C08 | sing | 1.51Å | 1.54Å | |
| C07 | C08 | doub | 1.38Å | 1.40Å | Aromatic |
| C07 | C05 | sing | 1.38Å | 1.39Å | Aromatic |
| C08 | C01 | sing | 1.40Å | 1.41Å | Aromatic |
| C06 | C05 | sing | 1.51Å | 1.53Å | |
| C05 | C04 | doub | 1.38Å | 1.39Å | Aromatic |
| C01 | C18 | sing | 1.48Å | 1.51Å | |
| C01 | C02 | doub | 1.40Å | 1.42Å | Aromatic |
| C18 | N24 | doub | 1.30Å | 1.27Å | |
| C04 | C02 | sing | 1.38Å | 1.41Å | Aromatic |
| C02 | C03 | sing | 1.51Å | 1.55Å | |
| N24 | N01 | sing | 1.40Å | 1.42Å | |
| N01 | C23 | sing | 1.35Å | 1.33Å | |
| N22 | C11 | sing | 1.47Å | 1.49Å | |
| C11 | C23 | sing | 1.51Å | 1.50Å | |
| C11 | C10 | sing | 1.53Å | 1.55Å | |
| C23 | O23 | doub | 1.21Å | 1.22Å | |
| C16 | C17 | doub | 1.37Å | 1.40Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.41Å | Aromatic |
| C17 | C | sing | 1.40Å | 1.40Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C | C12 | sing | 1.46Å | 1.49Å | Aromatic |
| C | C13 | doub | 1.41Å | 1.40Å | Aromatic |
| C10 | C12 | sing | 1.51Å | 1.51Å | |
| C12 | C2 | doub | 1.34Å | 1.36Å | Aromatic |
| C14 | C13 | sing | 1.39Å | 1.41Å | Aromatic |
| C13 | N23 | sing | 1.38Å | 1.37Å | Aromatic |
| C2 | N23 | sing | 1.37Å | 1.33Å | Aromatic |
| C18 | H1 | sing | 1.08Å | 1.08Å | |
| C03 | H2 | sing | 1.09Å | 1.10Å | |
| C03 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.09Å | 1.10Å | |
| C04 | H5 | sing | 1.08Å | 1.08Å | |
| C06 | H6 | sing | 1.09Å | 1.10Å | |
| C06 | H7 | sing | 1.09Å | 1.10Å | |
| C06 | H8 | sing | 1.09Å | 1.10Å | |
| C07 | H9 | sing | 1.08Å | 1.08Å | |
| C09 | H10 | sing | 1.09Å | 1.10Å | |
| C09 | H11 | sing | 1.09Å | 1.10Å | |
| C09 | H12 | sing | 1.09Å | 1.10Å | |
| N01 | H13 | sing | 0.97Å | 1.00Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| N22 | H15 | sing | 1.01Å | 1.00Å | |
| N22 | H16 | sing | 1.01Å | 1.00Å | |
| C10 | H18 | sing | 1.09Å | 1.10Å | |
| C10 | H19 | sing | 1.09Å | 1.10Å | |
| C2 | H20 | sing | 1.08Å | 1.08Å | |
| N23 | H21 | sing | 0.97Å | 1.00Å | |
| C14 | H22 | sing | 1.08Å | 1.08Å | |
| C15 | H23 | sing | 1.08Å | 1.08Å | |
| C16 | H24 | sing | 1.08Å | 1.08Å | |
| C17 | H25 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C09 | C08 | C07 | 118.3° | 120.1° |
| C09 | C08 | C01 | 123.2° | 120.1° |
| C08 | C09 | H10 | 109.5° | 109.5° |
| C08 | C09 | H11 | 109.5° | 109.4° |
| C08 | C09 | H12 | 109.5° | 109.4° |
| C08 | C07 | C05 | 121.1° | 120.2° |
| C07 | C08 | C01 | 118.6° | 119.8° |
| C08 | C07 | H9 | 119.5° | 119.9° |
| C07 | C05 | C06 | 119.7° | 119.8° |
| C07 | C05 | C04 | 120.3° | 120.3° |
| C05 | C07 | H9 | 119.4° | 119.9° |
| C08 | C01 | C18 | 119.0° | 120.2° |
| C08 | C01 | C02 | 120.4° | 119.7° |
| C06 | C05 | C04 | 120.0° | 119.8° |
| C05 | C06 | H6 | 109.5° | 109.5° |
| C05 | C06 | H7 | 109.5° | 109.4° |
| C05 | C06 | H8 | 109.5° | 109.5° |
| C05 | C04 | C02 | 120.3° | 120.2° |
| C05 | C04 | H5 | 119.9° | 119.9° |
| C18 | C01 | C02 | 120.5° | 120.1° |
| C01 | C18 | N24 | 117.3° | 119.9° |
| C01 | C18 | H1 | 121.3° | 120.0° |
| C01 | C02 | C04 | 119.3° | 119.8° |
| C01 | C02 | C03 | 124.5° | 120.1° |
| C18 | N24 | N01 | 117.6° | 119.9° |
| N24 | C18 | H1 | 121.3° | 120.0° |
| C04 | C02 | C03 | 116.3° | 120.1° |
| C02 | C04 | H5 | 119.9° | 119.9° |
| C02 | C03 | H2 | 109.5° | 109.5° |
| C02 | C03 | H3 | 109.5° | 109.5° |
| C02 | C03 | H4 | 109.5° | 109.5° |
| N24 | N01 | C23 | 121.2° | 120.0° |
| N24 | N01 | H13 | 119.4° | 120.0° |
| N01 | C23 | C11 | 115.4° | 120.0° |
| N01 | C23 | O23 | 124.2° | 120.0° |
| C23 | N01 | H13 | 119.4° | 120.0° |
| N22 | C11 | C23 | 108.8° | 109.5° |
| N22 | C11 | C10 | 113.7° | 109.4° |
| N22 | C11 | H14 | 107.8° | 109.5° |
| C11 | N22 | H15 | 109.5° | 111.0° |
| C11 | N22 | H16 | 109.4° | 111.0° |
| C23 | C11 | C10 | 111.3° | 109.5° |
| C11 | C23 | O23 | 120.3° | 120.0° |
| C23 | C11 | H14 | 107.8° | 109.5° |
| C11 | C10 | C12 | 116.0° | 109.5° |
| C10 | C11 | H14 | 107.2° | 109.5° |
| C11 | C10 | H18 | 107.8° | 109.5° |
| C11 | C10 | H19 | 107.8° | 109.5° |
| C17 | C16 | C15 | 121.8° | 120.5° |
| C16 | C17 | C | 116.3° | 119.8° |
| C17 | C16 | H24 | 119.1° | 119.7° |
| C16 | C17 | H25 | 121.9° | 120.1° |
| C16 | C15 | C14 | 121.2° | 120.7° |
| C16 | C15 | H23 | 119.4° | 119.6° |
| C15 | C16 | H24 | 119.1° | 119.8° |
| C17 | C | C12 | 133.9° | 134.1° |
| C17 | C | C13 | 122.7° | 119.9° |
| C | C17 | H25 | 121.9° | 120.1° |
| C15 | C14 | C13 | 117.2° | 119.8° |
| C15 | C14 | H22 | 121.4° | 120.1° |
| C14 | C15 | H23 | 119.4° | 119.7° |
| C12 | C | C13 | 103.4° | 106.0° |
| C | C12 | C10 | 123.6° | 126.5° |
| C | C12 | C2 | 106.5° | 107.0° |
| C | C13 | C14 | 120.9° | 119.3° |
| C | C13 | N23 | 109.7° | 107.2° |
| C10 | C12 | C2 | 129.9° | 126.5° |
| C12 | C10 | H18 | 107.8° | 109.4° |
| C12 | C10 | H19 | 107.8° | 109.5° |
| C12 | C2 | N23 | 110.6° | 110.0° |
| C12 | C2 | H20 | 124.7° | 125.0° |
| C14 | C13 | N23 | 129.4° | 133.5° |
| C13 | C14 | H22 | 121.4° | 120.1° |
| C13 | N23 | C2 | 109.7° | 109.9° |
| C13 | N23 | H21 | 125.1° | 125.0° |
| N23 | C2 | H20 | 124.7° | 125.0° |
| C2 | N23 | H21 | 125.2° | 125.1° |
| H2 | C03 | H3 | 109.4° | 109.4° |
| H2 | C03 | H4 | 109.5° | 109.5° |
| H3 | C03 | H4 | 109.5° | 109.4° |
| H6 | C06 | H7 | 109.4° | 109.5° |
| H6 | C06 | H8 | 109.5° | 109.5° |
| H7 | C06 | H8 | 109.4° | 109.4° |
| H10 | C09 | H11 | 109.4° | 109.5° |
| H10 | C09 | H12 | 109.5° | 109.5° |
| H11 | C09 | H12 | 109.4° | 109.5° |
| H15 | N22 | H16 | 109.5° | 111.0° |
| H18 | C10 | H19 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C09 | C08 | C07 | C01 | 179.6° | 179.5° |
| C09 | C08 | C07 | C05 | 179.3° | 180.0° |
| C09 | C08 | C01 | C18 | 0.6° | 0.2° |
| C09 | C08 | C01 | C02 | 179.1° | 180.0° |
| C09 | C08 | C07 | H9 | 0.7° | 0.4° |
| C08 | C09 | H10 | H11 | 120.0° | 120.0° |
| C08 | C09 | H10 | H12 | 120.0° | 120.0° |
| C08 | C09 | H11 | H12 | 120.0° | 119.9° |
| C08 | C07 | C05 | H9 | 180.0° | 179.5° |
| C08 | C07 | C05 | C06 | 179.9° | 179.7° |
| C08 | C07 | C05 | C04 | 0.1° | 0.3° |
| C07 | C08 | C01 | C18 | 178.9° | 179.7° |
| C07 | C08 | C01 | C02 | 0.4° | 0.5° |
| C07 | C08 | C09 | H10 | 90.2° | 97.1° |
| C07 | C08 | C09 | H11 | 149.8° | 142.9° |
| C07 | C08 | C09 | H12 | 29.8° | 23.0° |
| C05 | C07 | C08 | C01 | 0.2° | 0.5° |
| C07 | C05 | C06 | C04 | 180.0° | 180.0° |
| C07 | C05 | C04 | C02 | 0.2° | 0.0° |
| C07 | C05 | C04 | H5 | 179.8° | 180.0° |
| C07 | C05 | C06 | H6 | 90.0° | 90.0° |
| C07 | C05 | C06 | H7 | 150.0° | 30.1° |
| C07 | C05 | C06 | H8 | 30.0° | 150.0° |
| C08 | C01 | C18 | C02 | 178.5° | 179.8° |
| C08 | C01 | C18 | N24 | 128.7° | 5.6° |
| C08 | C01 | C02 | C04 | 0.5° | 0.3° |
| C08 | C01 | C02 | C03 | 179.1° | 179.7° |
| C08 | C01 | C18 | H1 | 51.3° | 174.7° |
| C01 | C08 | C07 | H9 | 179.8° | 180.0° |
| C01 | C08 | C09 | H10 | 90.2° | 83.4° |
| C01 | C08 | C09 | H11 | 29.8° | 36.6° |
| C01 | C08 | C09 | H12 | 149.7° | 156.5° |
| C06 | C05 | C04 | C02 | 179.8° | 180.0° |
| C06 | C05 | C04 | H5 | 0.2° | 0.0° |
| C05 | C06 | H6 | H7 | 120.0° | 120.0° |
| C05 | C06 | H6 | H8 | 120.0° | 120.0° |
| C05 | C06 | H7 | H8 | 120.0° | 120.0° |
| C06 | C05 | C07 | H9 | 0.1° | 0.2° |
| C05 | C04 | C02 | C01 | 0.4° | 0.0° |
| C05 | C04 | C02 | H5 | 180.0° | 179.9° |
| C05 | C04 | C02 | C03 | 179.1° | 180.0° |
| C04 | C05 | C06 | H6 | 90.0° | 90.0° |
| C04 | C05 | C06 | H7 | 30.0° | 150.0° |
| C04 | C05 | C06 | H8 | 150.0° | 30.0° |
| C04 | C05 | C07 | H9 | 179.9° | 179.8° |
| C01 | C18 | N24 | H1 | 180.0° | 179.7° |
| C18 | C01 | C02 | C04 | 179.0° | 180.0° |
| C18 | C01 | C02 | C03 | 2.4° | 0.0° |
| C01 | C18 | N24 | N01 | 171.2° | 179.7° |
| C02 | C01 | C18 | N24 | 49.7° | 174.2° |
| C01 | C02 | C04 | C03 | 178.7° | 180.0° |
| C02 | C01 | C18 | H1 | 130.2° | 5.5° |
| C01 | C02 | C03 | H2 | 89.2° | 90.0° |
| C01 | C02 | C03 | H3 | 150.8° | 150.0° |
| C01 | C02 | C03 | H4 | 30.8° | 30.1° |
| C01 | C02 | C04 | H5 | 179.6° | 180.0° |
| C18 | N24 | N01 | C23 | 170.1° | 180.0° |
| C18 | N24 | N01 | H13 | 9.9° | 0.0° |
| C04 | C02 | C03 | H2 | 89.4° | 90.0° |
| C04 | C02 | C03 | H3 | 30.6° | 30.0° |
| C04 | C02 | C03 | H4 | 150.6° | 150.0° |
| C02 | C03 | H2 | H3 | 120.0° | 120.0° |
| C02 | C03 | H2 | H4 | 120.0° | 120.0° |
| C02 | C03 | H3 | H4 | 120.0° | 120.0° |
| C03 | C02 | C04 | H5 | 0.9° | 0.0° |
| N24 | N01 | C23 | H13 | 180.0° | 180.0° |
| N24 | N01 | C23 | C11 | 180.0° | 180.0° |
| N24 | N01 | C23 | O23 | 0.3° | 0.0° |
| N01 | N24 | C18 | H1 | 8.8° | 0.0° |
| N01 | C23 | C11 | N22 | 110.8° | 160.0° |
| N01 | C23 | C11 | O23 | 179.7° | 180.0° |
| N01 | C23 | C11 | C10 | 123.2° | 80.0° |
| N01 | C23 | C11 | H14 | 5.9° | 40.0° |
| N22 | C11 | C23 | C10 | 126.0° | 120.0° |
| N22 | C11 | C23 | H14 | 116.7° | 120.0° |
| N22 | C11 | C10 | H14 | 119.1° | 120.0° |
| N22 | C11 | C23 | O23 | 69.5° | 20.0° |
| N22 | C11 | C10 | C12 | 172.7° | 65.0° |
| C11 | N22 | H15 | H16 | 120.0° | 124.0° |
| N22 | C11 | C10 | H18 | 66.3° | 55.0° |
| N22 | C11 | C10 | H19 | 51.7° | 175.0° |
| C23 | C11 | C10 | H14 | 117.6° | 120.0° |
| C23 | C11 | C10 | C12 | 49.4° | 175.0° |
| C11 | C23 | N01 | H13 | 0.0° | 0.0° |
| C23 | C11 | N22 | H15 | 180.0° | 60.0° |
| C23 | C11 | N22 | H16 | 60.0° | 176.0° |
| C23 | C11 | C10 | H18 | 170.4° | 65.0° |
| C23 | C11 | C10 | H19 | 71.6° | 55.0° |
| C10 | C11 | C23 | O23 | 56.5° | 100.0° |
| C11 | C10 | C12 | C | 117.3° | 84.7° |
| C11 | C10 | C12 | H18 | 121.0° | 120.0° |
| C11 | C10 | C12 | H19 | 121.0° | 120.0° |
| C11 | C10 | C12 | C2 | 65.9° | 95.0° |
| C10 | C11 | N22 | H15 | 55.4° | 60.0° |
| C10 | C11 | N22 | H16 | 175.4° | 64.0° |
| C11 | C10 | H18 | H19 | 117.0° | 120.0° |
| O23 | C23 | N01 | H13 | 179.6° | 180.0° |
| O23 | C23 | C11 | H14 | 173.8° | 140.0° |
| C17 | C16 | C15 | H24 | 180.0° | 179.6° |
| C16 | C17 | C | H25 | 180.0° | 179.6° |
| C17 | C16 | C15 | C14 | 0.7° | 0.0° |
| C16 | C17 | C | C12 | 179.8° | 179.6° |
| C16 | C17 | C | C13 | 1.0° | 0.7° |
| C17 | C16 | C15 | H23 | 179.3° | 180.0° |
| C15 | C16 | C17 | C | 0.7° | 0.4° |
| C16 | C15 | C14 | H23 | 180.0° | 180.0° |
| C16 | C15 | C14 | C13 | 1.0° | 0.0° |
| C16 | C15 | C14 | H22 | 179.0° | 180.0° |
| C15 | C16 | C17 | H25 | 179.4° | 180.0° |
| C17 | C | C12 | C13 | 179.3° | 179.0° |
| C17 | C | C12 | C10 | 1.3° | 0.8° |
| C17 | C | C12 | C2 | 178.7° | 179.5° |
| C17 | C | C13 | C14 | 1.4° | 0.6° |
| C17 | C | C13 | N23 | 179.8° | 179.6° |
| C | C17 | C16 | H24 | 179.3° | 180.0° |
| C15 | C14 | C13 | C | 1.4° | 0.3° |
| C15 | C14 | C13 | H22 | 180.0° | 180.0° |
| C15 | C14 | C13 | N23 | 179.9° | 179.9° |
| C14 | C15 | C16 | H24 | 179.3° | 179.6° |
| C | C12 | C10 | C2 | 176.8° | 179.7° |
| C12 | C | C13 | C14 | 179.2° | 179.8° |
| C12 | C | C13 | N23 | 0.4° | 0.4° |
| C | C12 | C2 | N23 | 1.5° | 0.3° |
| C | C12 | C10 | H18 | 3.7° | 35.3° |
| C | C12 | C10 | H19 | 121.7° | 155.3° |
| C | C12 | C2 | H20 | 178.5° | 179.7° |
| C12 | C | C17 | H25 | 0.2° | 0.8° |
| C13 | C | C12 | C10 | 178.0° | 179.8° |
| C13 | C | C12 | C2 | 0.6° | 0.4° |
| C | C13 | C14 | N23 | 178.5° | 179.7° |
| C | C13 | N23 | C2 | 1.3° | 0.3° |
| C | C13 | N23 | H21 | 178.7° | 179.7° |
| C | C13 | C14 | H22 | 178.7° | 179.7° |
| C13 | C | C17 | H25 | 179.0° | 179.7° |
| C10 | C12 | C2 | N23 | 178.7° | 180.0° |
| C12 | C10 | C11 | H14 | 68.2° | 55.0° |
| C12 | C10 | H18 | H19 | 117.0° | 120.0° |
| C10 | C12 | C2 | H20 | 1.3° | 0.0° |
| C12 | C2 | N23 | C13 | 1.8° | 0.0° |
| C12 | C2 | N23 | H20 | 180.0° | 180.0° |
| C2 | C12 | C10 | H18 | 173.1° | 145.0° |
| C2 | C12 | C10 | H19 | 55.1° | 25.1° |
| C12 | C2 | N23 | H21 | 178.3° | 180.0° |
| C14 | C13 | N23 | C2 | 180.0° | 180.0° |
| C14 | C13 | N23 | H21 | 0.1° | 0.0° |
| C13 | C14 | C15 | H23 | 178.9° | 180.0° |
| C13 | N23 | C2 | H21 | 180.0° | 180.0° |
| C13 | N23 | C2 | H20 | 178.2° | 180.0° |
| N23 | C13 | C14 | H22 | 0.2° | 0.0° |
| H2 | C03 | H3 | H4 | 120.0° | 120.0° |
| H6 | C06 | H7 | H8 | 120.0° | 120.0° |
| H10 | C09 | H11 | H12 | 120.0° | 120.1° |
| H14 | C11 | N22 | H15 | 63.4° | 180.0° |
| H14 | C11 | N22 | H16 | 56.6° | 56.0° |
| H14 | C11 | C10 | H18 | 52.8° | 175.0° |
| H14 | C11 | C10 | H19 | 170.8° | 65.0° |
| H20 | C2 | N23 | H21 | 1.7° | 0.0° |
| H22 | C14 | C15 | H23 | 1.0° | 0.0° |
| H23 | C15 | C16 | H24 | 0.7° | 0.4° |
| H24 | C16 | C17 | H25 | 0.6° | 0.4° |
