HZ6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | C17 | sing | 1.51Å | 1.36Å | |
| C16 | N15 | sing | 1.35Å | 1.32Å | |
| C16 | O19 | doub | 1.21Å | 1.18Å | |
| C22 | N23 | doub | 1.32Å | 1.31Å | Aromatic |
| C22 | N21 | sing | 1.32Å | 1.31Å | Aromatic |
| N23 | C02 | sing | 1.33Å | 1.32Å | Aromatic |
| C20 | C13 | sing | 1.54Å | 1.53Å | |
| C20 | N15 | sing | 1.48Å | 1.41Å | |
| C13 | C14 | sing | 1.54Å | 1.47Å | |
| C13 | O12 | sing | 1.43Å | 1.35Å | |
| C11 | C03 | sing | 1.46Å | 1.38Å | Aromatic |
| C11 | N10 | doub | 1.31Å | 1.32Å | Aromatic |
| C11 | O12 | sing | 1.36Å | 1.35Å | |
| N15 | C14 | sing | 1.48Å | 1.39Å | |
| C02 | C03 | doub | 1.40Å | 1.35Å | Aromatic |
| C02 | N01 | sing | 1.38Å | 1.30Å | |
| C03 | C04 | sing | 1.41Å | 1.38Å | Aromatic |
| C04 | N05 | sing | 1.36Å | 1.34Å | Aromatic |
| C04 | N21 | doub | 1.33Å | 1.34Å | Aromatic |
| C06 | C07 | sing | 1.53Å | 1.47Å | |
| C06 | C08 | sing | 1.53Å | 1.46Å | |
| C06 | C09 | sing | 1.53Å | 1.47Å | |
| C06 | N05 | sing | 1.46Å | 1.41Å | |
| N05 | N10 | sing | 1.40Å | 1.31Å | Aromatic |
| C17 | C18 | sing | 1.53Å | 1.74Å | |
| C17 | H1 | sing | 1.09Å | 1.10Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C22 | H3 | sing | 1.08Å | 1.08Å | |
| C20 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C18 | H6 | sing | 1.09Å | 1.10Å | |
| C18 | H7 | sing | 1.09Å | 1.10Å | |
| C18 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C07 | H12 | sing | 1.09Å | 1.10Å | |
| C07 | H13 | sing | 1.09Å | 1.10Å | |
| C07 | H14 | sing | 1.09Å | 1.10Å | |
| C08 | H15 | sing | 1.09Å | 1.10Å | |
| C08 | H16 | sing | 1.09Å | 1.10Å | |
| C08 | H17 | sing | 1.09Å | 1.10Å | |
| C09 | H18 | sing | 1.09Å | 1.10Å | |
| C09 | H19 | sing | 1.09Å | 1.10Å | |
| C09 | H20 | sing | 1.09Å | 1.10Å | |
| N01 | H21 | sing | 0.97Å | 1.00Å | |
| N01 | H22 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | C16 | N15 | 125.8° | 120.0° |
| C17 | C16 | O19 | 117.5° | 120.0° |
| C16 | C17 | C18 | 106.9° | 109.5° |
| C16 | C17 | H1 | 110.1° | 109.5° |
| C16 | C17 | H2 | 110.1° | 109.4° |
| N15 | C16 | O19 | 116.6° | 120.0° |
| C16 | N15 | C20 | 139.5° | 134.5° |
| C16 | N15 | C14 | 126.1° | 134.5° |
| N23 | C22 | N21 | 128.7° | 122.7° |
| C22 | N23 | C02 | 116.7° | 121.1° |
| N23 | C22 | H3 | 115.6° | 118.6° |
| C22 | N21 | C04 | 112.5° | 120.7° |
| N21 | C22 | H3 | 115.6° | 118.6° |
| N23 | C02 | C03 | 121.9° | 118.3° |
| N23 | C02 | N01 | 116.4° | 120.8° |
| C13 | C20 | N15 | 87.6° | 86.1° |
| C20 | C13 | C14 | 86.4° | 86.3° |
| C20 | C13 | O12 | 111.8° | 113.7° |
| C13 | C20 | H4 | 114.6° | 113.8° |
| C13 | C20 | H5 | 114.7° | 113.7° |
| C20 | C13 | H9 | 113.2° | 113.8° |
| C20 | N15 | C14 | 94.3° | 91.0° |
| N15 | C20 | H4 | 114.6° | 113.8° |
| N15 | C20 | H5 | 114.6° | 113.7° |
| C14 | C13 | O12 | 111.2° | 113.7° |
| C13 | C14 | N15 | 90.3° | 86.1° |
| C14 | C13 | H9 | 114.1° | 113.7° |
| C13 | C14 | H10 | 114.0° | 113.8° |
| C13 | C14 | H11 | 114.0° | 113.8° |
| C13 | O12 | C11 | 118.6° | 117.0° |
| O12 | C13 | H9 | 116.4° | 113.0° |
| C03 | C11 | N10 | 109.9° | 107.5° |
| C03 | C11 | O12 | 122.2° | 126.3° |
| C11 | C03 | C02 | 139.3° | 135.0° |
| C11 | C03 | C04 | 105.0° | 106.5° |
| N10 | C11 | O12 | 127.9° | 126.2° |
| C11 | N10 | N05 | 107.4° | 110.0° |
| N15 | C14 | H10 | 114.0° | 113.8° |
| N15 | C14 | H11 | 114.1° | 113.7° |
| C03 | C02 | N01 | 121.8° | 120.9° |
| C02 | C03 | C04 | 115.6° | 118.5° |
| C02 | N01 | H21 | 109.5° | 120.0° |
| C02 | N01 | H22 | 109.5° | 120.0° |
| C03 | C04 | N05 | 106.3° | 106.8° |
| C03 | C04 | N21 | 124.6° | 118.6° |
| N05 | C04 | N21 | 129.1° | 134.6° |
| C04 | N05 | C06 | 127.8° | 125.3° |
| C04 | N05 | N10 | 111.4° | 109.3° |
| C07 | C06 | C08 | 108.8° | 109.5° |
| C07 | C06 | C09 | 110.1° | 109.4° |
| C07 | C06 | N05 | 109.6° | 109.5° |
| C06 | C07 | H12 | 109.5° | 109.4° |
| C06 | C07 | H13 | 109.4° | 109.5° |
| C06 | C07 | H14 | 109.4° | 109.5° |
| C08 | C06 | C09 | 108.4° | 109.5° |
| C08 | C06 | N05 | 110.6° | 109.5° |
| C06 | C08 | H15 | 109.5° | 109.5° |
| C06 | C08 | H16 | 109.5° | 109.5° |
| C06 | C08 | H17 | 109.5° | 109.5° |
| C09 | C06 | N05 | 109.2° | 109.5° |
| C06 | C09 | H18 | 109.5° | 109.5° |
| C06 | C09 | H19 | 109.5° | 109.5° |
| C06 | C09 | H20 | 109.5° | 109.4° |
| C06 | N05 | N10 | 120.8° | 125.3° |
| C18 | C17 | H1 | 110.1° | 109.5° |
| C18 | C17 | H2 | 110.1° | 109.4° |
| C17 | C18 | H6 | 109.5° | 109.5° |
| C17 | C18 | H7 | 109.5° | 109.5° |
| C17 | C18 | H8 | 109.5° | 109.4° |
| H1 | C17 | H2 | 109.4° | 109.5° |
| H4 | C20 | H5 | 109.5° | 113.1° |
| H6 | C18 | H7 | 109.4° | 109.5° |
| H6 | C18 | H8 | 109.5° | 109.4° |
| H7 | C18 | H8 | 109.5° | 109.5° |
| H10 | C14 | H11 | 109.4° | 113.0° |
| H12 | C07 | H13 | 109.5° | 109.5° |
| H12 | C07 | H14 | 109.5° | 109.4° |
| H13 | C07 | H14 | 109.5° | 109.5° |
| H15 | C08 | H16 | 109.5° | 109.5° |
| H15 | C08 | H17 | 109.5° | 109.4° |
| H16 | C08 | H17 | 109.4° | 109.5° |
| H18 | C09 | H19 | 109.5° | 109.4° |
| H18 | C09 | H20 | 109.4° | 109.5° |
| H19 | C09 | H20 | 109.5° | 109.5° |
| H21 | N01 | H22 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | C16 | N15 | O19 | 176.4° | 179.7° |
| C17 | C16 | N15 | C20 | 3.2° | 180.0° |
| C17 | C16 | N15 | C14 | 178.5° | 0.0° |
| C16 | C17 | C18 | H1 | 119.6° | 120.0° |
| C16 | C17 | C18 | H2 | 119.6° | 119.9° |
| C16 | C17 | H1 | H2 | 121.2° | 120.0° |
| C16 | C17 | C18 | H6 | 180.0° | 180.0° |
| C16 | C17 | C18 | H7 | 60.0° | 60.0° |
| C16 | C17 | C18 | H8 | 60.0° | 60.1° |
| C16 | N15 | C20 | C13 | 169.7° | 155.3° |
| C16 | N15 | C20 | C14 | 178.7° | 180.0° |
| C16 | N15 | C14 | C13 | 169.6° | 155.4° |
| N15 | C16 | C17 | C18 | 112.6° | 180.0° |
| N15 | C16 | C17 | H1 | 127.8° | 60.0° |
| N15 | C16 | C17 | H2 | 7.0° | 60.0° |
| C16 | N15 | C20 | H4 | 53.6° | 41.0° |
| C16 | N15 | C20 | H5 | 74.2° | 90.4° |
| C16 | N15 | C14 | H10 | 73.8° | 90.4° |
| C16 | N15 | C14 | H11 | 53.0° | 41.1° |
| O19 | C16 | N15 | C20 | 179.6° | 0.3° |
| O19 | C16 | N15 | C14 | 2.0° | 179.7° |
| O19 | C16 | C17 | C18 | 63.8° | 0.3° |
| O19 | C16 | C17 | H1 | 55.8° | 119.7° |
| O19 | C16 | C17 | H2 | 176.5° | 120.3° |
| N23 | C22 | N21 | H3 | 180.0° | 179.6° |
| C22 | N23 | C02 | C03 | 0.5° | 0.1° |
| C22 | N23 | C02 | N01 | 179.4° | 180.0° |
| N23 | C22 | N21 | C04 | 0.1° | 0.1° |
| N21 | C22 | N23 | C02 | 0.5° | 0.1° |
| C22 | N21 | C04 | C03 | 0.4° | 0.0° |
| C22 | N21 | C04 | N05 | 179.9° | 180.0° |
| N23 | C02 | C03 | C11 | 179.8° | 179.9° |
| N23 | C02 | C03 | N01 | 179.9° | 179.9° |
| N23 | C02 | C03 | C04 | 0.1° | 0.1° |
| C02 | N23 | C22 | H3 | 179.5° | 179.7° |
| N23 | C02 | N01 | H21 | 0.0° | 0.1° |
| N23 | C02 | N01 | H22 | 120.0° | 180.0° |
| C13 | C20 | N15 | H4 | 116.0° | 114.3° |
| C13 | C20 | N15 | H5 | 116.1° | 114.3° |
| C20 | C13 | C14 | O12 | 112.0° | 114.4° |
| C20 | C13 | C14 | H9 | 113.8° | 114.4° |
| C20 | C13 | O12 | H9 | 132.2° | 131.7° |
| C20 | C13 | O12 | C11 | 141.1° | 150.0° |
| C13 | C20 | N15 | C14 | 9.0° | 24.6° |
| C13 | C20 | H4 | H5 | 130.5° | 131.8° |
| C20 | C13 | C14 | H10 | 108.0° | 90.7° |
| C20 | C13 | C14 | H11 | 125.2° | 137.9° |
| N15 | C20 | C13 | O12 | 120.0° | 137.9° |
| N15 | C20 | H4 | H5 | 130.4° | 131.7° |
| N15 | C20 | C13 | H9 | 106.2° | 90.7° |
| C20 | N15 | C14 | H10 | 107.3° | 89.7° |
| C20 | N15 | C14 | H11 | 125.9° | 138.9° |
| C14 | C13 | O12 | H9 | 133.0° | 131.6° |
| C14 | C13 | O12 | C11 | 46.3° | 113.3° |
| C13 | C14 | N15 | H10 | 116.6° | 114.3° |
| C13 | C14 | N15 | H11 | 116.6° | 114.3° |
| C14 | C13 | C20 | H4 | 124.6° | 137.9° |
| C14 | C13 | C20 | H5 | 107.6° | 90.7° |
| C13 | C14 | H10 | H11 | 129.1° | 131.8° |
| C13 | O12 | C11 | C03 | 172.9° | 180.0° |
| C13 | O12 | C11 | N10 | 7.5° | 0.1° |
| O12 | C13 | C14 | N15 | 120.6° | 138.0° |
| O12 | C13 | C20 | H4 | 124.0° | 107.7° |
| O12 | C13 | C20 | H5 | 3.9° | 23.7° |
| O12 | C13 | C14 | H10 | 4.0° | 23.7° |
| O12 | C13 | C14 | H11 | 122.7° | 107.8° |
| C03 | C11 | N10 | O12 | 179.7° | 179.9° |
| C11 | C03 | C02 | C04 | 179.7° | 179.9° |
| C11 | C03 | C02 | N01 | 0.1° | 0.0° |
| C11 | C03 | C04 | N05 | 0.2° | 0.0° |
| C11 | C03 | C04 | N21 | 179.4° | 179.9° |
| C03 | C11 | N10 | N05 | 0.5° | 0.0° |
| N10 | C11 | C03 | C02 | 179.8° | 180.0° |
| N10 | C11 | C03 | C04 | 0.4° | 0.0° |
| C11 | N10 | N05 | C04 | 0.4° | 0.0° |
| C11 | N10 | N05 | C06 | 179.6° | 180.0° |
| O12 | C11 | C03 | C02 | 0.1° | 0.1° |
| O12 | C11 | C03 | C04 | 179.8° | 179.9° |
| O12 | C11 | N10 | N05 | 179.8° | 179.9° |
| C11 | O12 | C13 | H9 | 86.7° | 18.3° |
| C14 | N15 | C20 | H4 | 125.0° | 139.0° |
| C14 | N15 | C20 | H5 | 107.1° | 89.6° |
| N15 | C14 | C13 | H9 | 105.2° | 90.8° |
| N15 | C14 | H10 | H11 | 129.1° | 131.8° |
| C02 | C03 | C04 | N05 | 180.0° | 180.0° |
| C02 | C03 | C04 | N21 | 0.4° | 0.0° |
| C03 | C02 | N01 | H21 | 179.9° | 179.9° |
| C03 | C02 | N01 | H22 | 59.9° | 0.1° |
| N01 | C02 | C03 | C04 | 179.8° | 180.0° |
| C02 | N01 | H21 | H22 | 120.0° | 179.9° |
| C03 | C04 | N05 | N21 | 179.6° | 179.9° |
| C03 | C04 | N05 | C06 | 179.9° | 180.0° |
| C03 | C04 | N05 | N10 | 0.1° | 0.0° |
| C04 | N05 | C06 | C07 | 42.6° | 60.0° |
| C04 | N05 | C06 | C08 | 162.6° | 60.0° |
| C04 | N05 | C06 | C09 | 78.1° | 180.0° |
| C04 | N05 | C06 | N10 | 180.0° | 180.0° |
| N21 | C04 | N05 | C06 | 0.3° | 0.1° |
| N21 | C04 | N05 | N10 | 179.7° | 179.9° |
| C04 | N21 | C22 | H3 | 179.9° | 179.7° |
| C07 | C06 | C08 | C09 | 119.8° | 120.0° |
| C07 | C06 | C08 | N05 | 120.4° | 120.0° |
| C07 | C06 | C09 | N05 | 120.4° | 119.9° |
| C07 | C06 | N05 | N10 | 137.4° | 119.9° |
| C06 | C07 | H12 | H13 | 120.0° | 120.0° |
| C06 | C07 | H12 | H14 | 120.0° | 120.0° |
| C06 | C07 | H13 | H14 | 120.0° | 120.1° |
| C07 | C06 | C08 | H15 | 180.0° | 60.0° |
| C07 | C06 | C08 | H16 | 60.0° | 180.0° |
| C07 | C06 | C08 | H17 | 60.0° | 60.0° |
| C07 | C06 | C09 | H18 | 180.0° | 60.0° |
| C07 | C06 | C09 | H19 | 60.0° | 180.0° |
| C07 | C06 | C09 | H20 | 60.0° | 60.0° |
| C08 | C06 | C09 | N05 | 120.6° | 120.0° |
| C08 | C06 | N05 | N10 | 17.4° | 120.0° |
| C08 | C06 | C07 | H12 | 180.0° | 60.0° |
| C08 | C06 | C07 | H13 | 60.0° | 180.0° |
| C08 | C06 | C07 | H14 | 60.0° | 60.0° |
| C06 | C08 | H15 | H16 | 120.0° | 120.0° |
| C06 | C08 | H15 | H17 | 120.0° | 120.0° |
| C06 | C08 | H16 | H17 | 120.0° | 120.0° |
| C08 | C06 | C09 | H18 | 61.0° | 180.0° |
| C08 | C06 | C09 | H19 | 179.0° | 60.0° |
| C08 | C06 | C09 | H20 | 59.0° | 60.0° |
| C09 | C06 | N05 | N10 | 101.9° | 0.0° |
| C09 | C06 | C07 | H12 | 61.2° | 180.0° |
| C09 | C06 | C07 | H13 | 178.7° | 60.0° |
| C09 | C06 | C07 | H14 | 58.7° | 60.1° |
| C09 | C06 | C08 | H15 | 60.2° | 60.0° |
| C09 | C06 | C08 | H16 | 59.8° | 60.0° |
| C09 | C06 | C08 | H17 | 179.7° | 180.0° |
| C06 | C09 | H18 | H19 | 120.0° | 120.0° |
| C06 | C09 | H18 | H20 | 120.0° | 120.0° |
| C06 | C09 | H19 | H20 | 120.0° | 120.0° |
| N05 | C06 | C07 | H12 | 59.0° | 60.0° |
| N05 | C06 | C07 | H13 | 61.1° | 59.9° |
| N05 | C06 | C07 | H14 | 178.9° | 180.0° |
| N05 | C06 | C08 | H15 | 59.6° | 180.0° |
| N05 | C06 | C08 | H16 | 179.6° | 60.0° |
| N05 | C06 | C08 | H17 | 60.5° | 60.0° |
| N05 | C06 | C09 | H18 | 59.6° | 59.9° |
| N05 | C06 | C09 | H19 | 60.4° | 60.0° |
| N05 | C06 | C09 | H20 | 179.6° | 180.0° |
| C18 | C17 | H1 | H2 | 121.2° | 120.0° |
| C17 | C18 | H6 | H7 | 120.0° | 120.1° |
| C17 | C18 | H6 | H8 | 120.0° | 119.9° |
| C17 | C18 | H7 | H8 | 120.0° | 120.0° |
| H1 | C17 | C18 | H6 | 60.4° | 59.9° |
| H1 | C17 | C18 | H7 | 179.6° | 180.0° |
| H1 | C17 | C18 | H8 | 59.6° | 60.0° |
| H2 | C17 | C18 | H6 | 60.4° | 60.1° |
| H2 | C17 | C18 | H7 | 59.6° | 60.0° |
| H2 | C17 | C18 | H8 | 179.6° | NaN° |
| H4 | C20 | C13 | H9 | 9.9° | 23.6° |
| H5 | C20 | C13 | H9 | 137.7° | 155.0° |
| H6 | C18 | H7 | H8 | 120.0° | 120.0° |
| H9 | C13 | C14 | H10 | 138.1° | 154.9° |
| H9 | C13 | C14 | H11 | 11.4° | 23.5° |
| H12 | C07 | H13 | H14 | 120.0° | 120.0° |
| H15 | C08 | H16 | H17 | 120.0° | 120.0° |
| H18 | C09 | H19 | H20 | 120.0° | 120.0° |
