H5C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | C03 | sing | 0.00Å | 1.53Å | |
| C02 | N20 | sing | 0.00Å | 1.43Å | |
| C02 | O01 | doub | 0.00Å | 1.18Å | |
| C03 | C17 | doub | 0.00Å | 1.37Å | Aromatic |
| C03 | N04 | sing | 0.00Å | 1.35Å | Aromatic |
| C05 | N04 | doub | 0.00Å | 1.36Å | Aromatic |
| C05 | N06 | sing | 0.00Å | 1.35Å | Aromatic |
| C07 | C08 | sing | 0.00Å | 1.57Å | |
| C07 | N06 | sing | 0.00Å | 1.47Å | |
| C07 | O16 | sing | 0.00Å | 1.30Å | |
| C08 | C11 | sing | 0.00Å | 1.57Å | |
| C08 | O09 | sing | 0.00Å | 1.32Å | |
| C10 | O09 | sing | 0.00Å | 1.40Å | |
| C11 | C13 | sing | 0.00Å | 1.28Å | |
| C11 | O12 | sing | 0.00Å | 1.49Å | |
| C13 | C14 | sing | 0.00Å | 1.50Å | |
| C14 | O15 | sing | 0.00Å | 1.40Å | |
| C17 | N06 | sing | 0.00Å | 1.34Å | Aromatic |
| C17 | N18 | sing | 0.00Å | 1.49Å | |
| C19 | N18 | sing | 0.00Å | 1.46Å | |
| C19 | N20 | sing | 0.00Å | 1.44Å | |
| C19 | O21 | doub | 0.00Å | 1.19Å | |
| C05 | H1 | sing | 0.00Å | 1.08Å | |
| C07 | H2 | sing | 0.00Å | 1.10Å | |
| C08 | H3 | sing | 0.00Å | 1.10Å | |
| C10 | H4 | sing | 0.00Å | 1.10Å | |
| C10 | H5 | sing | 0.00Å | 1.10Å | |
| C10 | H6 | sing | 0.00Å | 1.10Å | |
| C11 | H7 | sing | 0.00Å | 1.10Å | |
| C13 | H8 | sing | 0.00Å | 1.10Å | |
| C14 | H10 | sing | 0.00Å | 1.10Å | |
| C14 | H11 | sing | 0.00Å | 1.10Å | |
| N18 | H12 | sing | 0.00Å | 1.00Å | |
| N20 | H13 | sing | 0.00Å | 1.00Å | |
| O12 | H14 | sing | 0.00Å | 0.95Å | |
| O15 | H15 | sing | 0.00Å | 0.95Å | |
| O16 | C13 | sing | 0.00Å | 1.67Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C03 | C02 | N20 | 119.9° | 90.0° |
| C03 | C02 | O01 | 120.1° | 90.0° |
| C02 | C03 | C17 | 119.7° | 90.0° |
| C02 | C03 | N04 | 132.7° | 90.0° |
| N20 | C02 | O01 | 120.0° | 90.0° |
| C02 | N20 | C19 | 120.1° | 90.0° |
| C02 | N20 | H13 | 119.9° | 90.0° |
| C17 | C03 | N04 | 107.6° | 90.0° |
| C03 | C17 | N06 | 108.2° | 90.0° |
| C03 | C17 | N18 | 120.5° | 90.0° |
| C03 | N04 | C05 | 108.0° | 90.0° |
| N04 | C05 | N06 | 107.7° | 90.0° |
| N04 | C05 | H1 | 126.1° | 90.0° |
| C05 | N06 | C07 | 127.6° | 90.0° |
| C05 | N06 | C17 | 108.4° | 90.0° |
| N06 | C05 | H1 | 126.1° | 90.0° |
| C08 | C07 | N06 | 113.5° | 90.0° |
| C08 | C07 | O16 | 106.6° | 90.0° |
| C07 | C08 | C11 | 103.5° | 90.0° |
| C07 | C08 | O09 | 109.8° | 90.0° |
| C08 | C07 | H2 | 107.7° | 90.0° |
| C07 | C08 | H3 | 110.2° | 90.0° |
| N06 | C07 | O16 | 108.7° | 90.0° |
| C07 | N06 | C17 | 123.9° | 90.0° |
| N06 | C07 | H2 | 108.9° | 90.0° |
| O16 | C07 | H2 | 111.5° | 90.0° |
| C07 | O16 | C13 | 107.1° | 90.0° |
| C11 | C08 | O09 | 108.5° | 90.0° |
| C08 | C11 | C13 | 103.7° | 90.0° |
| C08 | C11 | O12 | 108.0° | 90.0° |
| C11 | C08 | H3 | 110.1° | 90.0° |
| C08 | C11 | H7 | 109.8° | 90.0° |
| C08 | O09 | C10 | 114.3° | 90.0° |
| O09 | C08 | H3 | 114.1° | 90.0° |
| O09 | C10 | H4 | 109.5° | 90.0° |
| O09 | C10 | H5 | 109.5° | 90.0° |
| O09 | C10 | H6 | 109.5° | 90.0° |
| C13 | C11 | O12 | 109.3° | 90.0° |
| C11 | C13 | C14 | 110.4° | 90.0° |
| C13 | C11 | H7 | 114.5° | 90.0° |
| C11 | C13 | H8 | 113.7° | 90.0° |
| C11 | C13 | O16 | 104.1° | 90.0° |
| O12 | C11 | H7 | 111.0° | 90.0° |
| C11 | O12 | H14 | 109.5° | 90.0° |
| C13 | C14 | O15 | 108.9° | 90.0° |
| C14 | C13 | H8 | 110.1° | 90.0° |
| C13 | C14 | H10 | 109.6° | 90.0° |
| C13 | C14 | H11 | 109.6° | 90.0° |
| C14 | C13 | O16 | 110.5° | 90.0° |
| O15 | C14 | H10 | 109.6° | 90.0° |
| O15 | C14 | H11 | 109.6° | 90.0° |
| C14 | O15 | H15 | 109.5° | 90.0° |
| N06 | C17 | N18 | 131.3° | 90.0° |
| C17 | N18 | C19 | 120.0° | 90.0° |
| C17 | N18 | H12 | 120.0° | 90.0° |
| N18 | C19 | N20 | 119.8° | 90.0° |
| N18 | C19 | O21 | 119.7° | 90.0° |
| C19 | N18 | H12 | 120.0° | 90.0° |
| N20 | C19 | O21 | 120.5° | 90.0° |
| C19 | N20 | H13 | 119.9° | 90.0° |
| H4 | C10 | H5 | 109.4° | 90.0° |
| H4 | C10 | H6 | 109.5° | 90.0° |
| H5 | C10 | H6 | 109.5° | 90.0° |
| H8 | C13 | O16 | 107.9° | 90.0° |
| H10 | C14 | H11 | 109.5° | 90.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C03 | C02 | N20 | O01 | 179.6° | 90.0° |
| C02 | C03 | C17 | N04 | 179.9° | 90.0° |
| C02 | C03 | N04 | C05 | 179.8° | 90.0° |
| C02 | C03 | C17 | N06 | 179.8° | 90.0° |
| C02 | C03 | C17 | N18 | 0.5° | 90.0° |
| C03 | C02 | N20 | C19 | 0.1° | 90.0° |
| C03 | C02 | N20 | H13 | 179.9° | 90.0° |
| N20 | C02 | C03 | C17 | 0.3° | 90.0° |
| N20 | C02 | C03 | N04 | 179.8° | 90.0° |
| C02 | N20 | C19 | N18 | 0.3° | 90.0° |
| C02 | N20 | C19 | H13 | 180.0° | 90.0° |
| C02 | N20 | C19 | O21 | 179.9° | 90.0° |
| O01 | C02 | C03 | C17 | 179.9° | 90.0° |
| O01 | C02 | C03 | N04 | 0.2° | 90.0° |
| O01 | C02 | N20 | C19 | 179.5° | 90.0° |
| O01 | C02 | N20 | H13 | 0.5° | 90.0° |
| C17 | C03 | N04 | C05 | 0.1° | 90.0° |
| C03 | C17 | N06 | C05 | 0.2° | 90.0° |
| C03 | C17 | N06 | C07 | 178.9° | 90.0° |
| C03 | C17 | N06 | N18 | 179.7° | 90.0° |
| C03 | C17 | N18 | C19 | 0.4° | 90.0° |
| C03 | C17 | N18 | H12 | 179.6° | 90.0° |
| C03 | N04 | C05 | N06 | 0.0° | 90.0° |
| N04 | C03 | C17 | N06 | 0.1° | 90.0° |
| N04 | C03 | C17 | N18 | 179.6° | 90.0° |
| C03 | N04 | C05 | H1 | 179.9° | 90.0° |
| N04 | C05 | N06 | H1 | 180.0° | 90.0° |
| N04 | C05 | N06 | C07 | 178.8° | 90.0° |
| N04 | C05 | N06 | C17 | 0.1° | 90.0° |
| C05 | N06 | C07 | C08 | 43.4° | 90.0° |
| C05 | N06 | C07 | C17 | 178.5° | 90.0° |
| C05 | N06 | C07 | O16 | 75.0° | 90.0° |
| C05 | N06 | C17 | N18 | 179.5° | 90.0° |
| C05 | N06 | C07 | H2 | 163.4° | 90.0° |
| C08 | C07 | N06 | O16 | 118.4° | 90.0° |
| C08 | C07 | N06 | H2 | 120.0° | 90.0° |
| C08 | C07 | O16 | H2 | 117.3° | 90.0° |
| C07 | C08 | C11 | O09 | 116.7° | 90.0° |
| C07 | C08 | C11 | H3 | 117.8° | 90.0° |
| C07 | C08 | O09 | H3 | 124.3° | 90.0° |
| C07 | C08 | O09 | C10 | 77.1° | 90.0° |
| C07 | C08 | C11 | C13 | 34.7° | 90.0° |
| C07 | C08 | C11 | O12 | 81.3° | 90.0° |
| C08 | C07 | N06 | C17 | 138.1° | 90.0° |
| C07 | C08 | C11 | H7 | 157.6° | 90.0° |
| C08 | C07 | O16 | C13 | 7.6° | 90.0° |
| N06 | C07 | O16 | H2 | 120.0° | 90.0° |
| N06 | C07 | C08 | C11 | 133.0° | 90.0° |
| N06 | C07 | C08 | O09 | 111.3° | 90.0° |
| C07 | N06 | C17 | N18 | 0.7° | 90.0° |
| C07 | N06 | C05 | H1 | 1.2° | 90.0° |
| N06 | C07 | C08 | H3 | 15.3° | 90.0° |
| N06 | C07 | O16 | C13 | 115.0° | 90.0° |
| O16 | C07 | C08 | C11 | 13.4° | 90.0° |
| O16 | C07 | C08 | O09 | 129.1° | 90.0° |
| C07 | O16 | C13 | C11 | 31.7° | 90.0° |
| C07 | O16 | C13 | C14 | 86.9° | 90.0° |
| O16 | C07 | N06 | C17 | 103.5° | 90.0° |
| O16 | C07 | C08 | H3 | 104.3° | 90.0° |
| C07 | O16 | C13 | H8 | 152.7° | 90.0° |
| C11 | C08 | O09 | H3 | 123.2° | 90.0° |
| C11 | C08 | O09 | C10 | 170.4° | 90.0° |
| C08 | C11 | C13 | O12 | 115.1° | 90.0° |
| C08 | C11 | C13 | H7 | 119.7° | 90.0° |
| C08 | C11 | O12 | H7 | 120.4° | 90.0° |
| C08 | C11 | C13 | C14 | 80.7° | 90.0° |
| C11 | C08 | C07 | H2 | 106.4° | 90.0° |
| C08 | C11 | C13 | H8 | 155.0° | 90.0° |
| C08 | C11 | O12 | H14 | 180.0° | 90.0° |
| C08 | C11 | C13 | O16 | 37.9° | 90.0° |
| O09 | C08 | C11 | C13 | 151.4° | 90.0° |
| O09 | C08 | C11 | O12 | 35.4° | 90.0° |
| O09 | C08 | C07 | H2 | 9.4° | 90.0° |
| C08 | O09 | C10 | H4 | 180.0° | 90.0° |
| C08 | O09 | C10 | H5 | 60.0° | 90.0° |
| C08 | O09 | C10 | H6 | 60.0° | 90.0° |
| O09 | C08 | C11 | H7 | 85.8° | 90.0° |
| C10 | O09 | C08 | H3 | 47.2° | 90.0° |
| O09 | C10 | H4 | H5 | 120.0° | 90.0° |
| O09 | C10 | H4 | H6 | 120.0° | 90.0° |
| O09 | C10 | H5 | H6 | 120.0° | 90.0° |
| C13 | C11 | O12 | H7 | 127.3° | 90.0° |
| C11 | C13 | C14 | H8 | 126.3° | 90.0° |
| C11 | C13 | C14 | O16 | 114.6° | 90.0° |
| C11 | C13 | C14 | O15 | 137.3° | 90.0° |
| C13 | C11 | C08 | H3 | 83.0° | 90.0° |
| C11 | C13 | H8 | O16 | 114.9° | 90.0° |
| C11 | C13 | C14 | H10 | 17.4° | 90.0° |
| C11 | C13 | C14 | H11 | 102.8° | 90.0° |
| C13 | C11 | O12 | H14 | 67.7° | 90.0° |
| O12 | C11 | C13 | C14 | 164.2° | 90.0° |
| O12 | C11 | C08 | H3 | 161.0° | 90.0° |
| O12 | C11 | C13 | H8 | 39.9° | 90.0° |
| O12 | C11 | C13 | O16 | 77.2° | 90.0° |
| C13 | C14 | O15 | H10 | 119.9° | 90.0° |
| C13 | C14 | O15 | H11 | 119.9° | 90.0° |
| C14 | C13 | C11 | H7 | 38.9° | 90.0° |
| C14 | C13 | H8 | O16 | 120.7° | 90.0° |
| C13 | C14 | H10 | H11 | 120.2° | 90.0° |
| C13 | C14 | O15 | H15 | 180.0° | 90.0° |
| O15 | C14 | C13 | H8 | 11.0° | 90.0° |
| O15 | C14 | H10 | H11 | 120.3° | 90.0° |
| O15 | C14 | C13 | O16 | 108.1° | 90.0° |
| N06 | C17 | N18 | C19 | 180.0° | 90.0° |
| C17 | N06 | C05 | H1 | 179.9° | 90.0° |
| C17 | N06 | C07 | H2 | 18.1° | 90.0° |
| N06 | C17 | N18 | H12 | 0.0° | 90.0° |
| C17 | N18 | C19 | H12 | 180.0° | 90.0° |
| C17 | N18 | C19 | N20 | 0.1° | 90.0° |
| C17 | N18 | C19 | O21 | 179.9° | 90.0° |
| N18 | C19 | N20 | O21 | 179.8° | 90.0° |
| N18 | C19 | N20 | H13 | 179.7° | 90.0° |
| N20 | C19 | N18 | H12 | 180.0° | 90.0° |
| O21 | C19 | N18 | H12 | 0.1° | 90.0° |
| O21 | C19 | N20 | H13 | 0.1° | 90.0° |
| H2 | C07 | C08 | H3 | 135.9° | 90.0° |
| H2 | C07 | O16 | C13 | 124.9° | 90.0° |
| H3 | C08 | C11 | H7 | 39.8° | 90.0° |
| H4 | C10 | H5 | H6 | 120.0° | 90.0° |
| H7 | C11 | C13 | H8 | 85.3° | 90.0° |
| H7 | C11 | O12 | H14 | 59.6° | 90.0° |
| H7 | C11 | C13 | O16 | 157.5° | 90.0° |
| H8 | C13 | C14 | H10 | 108.9° | 90.0° |
| H8 | C13 | C14 | H11 | 130.9° | 90.0° |
| H10 | C14 | O15 | H15 | 60.1° | 90.0° |
| H10 | C14 | C13 | O16 | 132.0° | 90.0° |
| H11 | C14 | O15 | H15 | 60.1° | 90.0° |
| H11 | C14 | C13 | O16 | 11.8° | 90.0° |






