F5D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C02 | doub | 1.41Å | 1.41Å | Aromatic |
| C10 | C06 | sing | 1.41Å | 1.37Å | Aromatic |
| C10 | N09 | sing | 1.35Å | 1.35Å | Aromatic |
| C13 | C14 | sing | 1.53Å | 1.55Å | |
| C13 | C43 | sing | 1.55Å | 1.33Å | |
| C13 | O12 | sing | 1.44Å | 1.56Å | |
| C21 | C22 | sing | 1.53Å | 1.55Å | |
| C21 | C19 | sing | 1.51Å | 1.54Å | |
| C22 | C23 | sing | 1.53Å | 1.55Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C24 | C25 | sing | 1.53Å | 1.55Å | |
| C28 | C27 | sing | 1.54Å | 1.69Å | |
| C28 | C33 | sing | 1.54Å | 1.42Å | |
| C28 | N29 | sing | 1.49Å | 1.57Å | |
| C02 | N01 | sing | 1.38Å | 1.43Å | |
| C02 | N03 | sing | 1.33Å | 1.32Å | Aromatic |
| C04 | N03 | doub | 1.32Å | 1.33Å | Aromatic |
| C04 | N05 | sing | 1.32Å | 1.33Å | Aromatic |
| C06 | N05 | doub | 1.33Å | 1.35Å | Aromatic |
| C06 | N07 | sing | 1.37Å | 1.34Å | Aromatic |
| C08 | N07 | sing | 1.36Å | 1.32Å | Aromatic |
| C08 | N09 | doub | 1.30Å | 1.32Å | Aromatic |
| C11 | C45 | sing | 1.55Å | 1.31Å | |
| C11 | N07 | sing | 1.47Å | 1.45Å | |
| C11 | O12 | sing | 1.44Å | 1.59Å | |
| C14 | O15 | sing | 1.43Å | 1.42Å | |
| C19 | O18 | sing | 1.34Å | 1.43Å | |
| C19 | O20 | doub | 1.21Å | 1.19Å | |
| C25 | S26 | sing | 1.84Å | 1.46Å | |
| C27 | S26 | sing | 1.83Å | 1.65Å | |
| C30 | N29 | sing | 1.49Å | 1.33Å | |
| C30 | N32 | sing | 1.48Å | 1.58Å | |
| C30 | O31 | sing | 1.43Å | 1.38Å | |
| C33 | N32 | sing | 1.48Å | 1.50Å | |
| C43 | C45 | sing | 1.55Å | 1.66Å | |
| C43 | O44 | sing | 1.43Å | 1.43Å | |
| C45 | O46 | sing | 1.43Å | 1.44Å | |
| O15 | P16 | sing | 1.61Å | 1.67Å | |
| O17 | P16 | doub | 1.48Å | 1.46Å | |
| O18 | P16 | sing | 1.61Å | 1.69Å | |
| O34 | P16 | sing | 1.61Å | 1.68Å | |
| O34 | P35 | sing | 1.61Å | 1.69Å | |
| O36 | P35 | doub | 1.48Å | 1.51Å | |
| O37 | P35 | sing | 1.61Å | 1.51Å | |
| O38 | P35 | sing | 1.61Å | 1.64Å | |
| O38 | P39 | sing | 1.61Å | 1.65Å | |
| O40 | P39 | doub | 1.48Å | 1.51Å | |
| O41 | P39 | sing | 1.61Å | 1.51Å | |
| O42 | P39 | sing | 1.61Å | 1.51Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C21 | H2 | sing | 1.09Å | 1.10Å | |
| C21 | H3 | sing | 1.09Å | 1.10Å | |
| C22 | H4 | sing | 1.09Å | 1.10Å | |
| C22 | H5 | sing | 1.09Å | 1.10Å | |
| C24 | H6 | sing | 1.09Å | 1.10Å | |
| C24 | H7 | sing | 1.09Å | 1.10Å | |
| C28 | H8 | sing | 1.09Å | 1.10Å | |
| C04 | H9 | sing | 1.08Å | 1.08Å | |
| C08 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C23 | H14 | sing | 1.09Å | 1.10Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| C25 | H16 | sing | 1.09Å | 1.10Å | |
| C27 | H18 | sing | 1.09Å | 1.10Å | |
| C27 | H19 | sing | 1.09Å | 1.10Å | |
| C30 | H20 | sing | 1.09Å | 1.10Å | |
| C33 | H21 | sing | 1.09Å | 1.10Å | |
| C43 | H23 | sing | 1.09Å | 1.10Å | |
| C45 | H24 | sing | 1.09Å | 1.10Å | |
| N01 | H25 | sing | 0.97Å | 1.00Å | |
| N01 | H26 | sing | 0.97Å | 1.00Å | |
| N29 | H27 | sing | 1.01Å | 1.00Å | |
| N32 | H29 | sing | 1.01Å | 1.00Å | |
| O31 | H31 | sing | 0.97Å | 0.95Å | |
| O37 | H32 | sing | 0.97Å | 0.95Å | |
| O41 | H33 | sing | 0.97Å | 0.95Å | |
| O42 | H34 | sing | 0.97Å | 0.95Å | |
| O44 | H35 | sing | 0.97Å | 0.95Å | |
| O46 | H36 | sing | 0.97Å | 0.95Å | |
| C33 | C25 | sing | 1.55Å | 1.75Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | C10 | C06 | 117.5° | 118.1° |
| C02 | C10 | N09 | 136.6° | 134.7° |
| C10 | C02 | N01 | 119.3° | 120.7° |
| C10 | C02 | N03 | 121.1° | 118.5° |
| C06 | C10 | N09 | 106.0° | 107.2° |
| C10 | C06 | N05 | 119.0° | 119.1° |
| C10 | C06 | N07 | 107.7° | 106.0° |
| C10 | N09 | C08 | 109.3° | 109.4° |
| C14 | C13 | C43 | 115.3° | 110.4° |
| C14 | C13 | O12 | 111.1° | 110.3° |
| C13 | C14 | O15 | 110.4° | 109.5° |
| C14 | C13 | H1 | 107.6° | 110.3° |
| C13 | C14 | H12 | 109.2° | 109.4° |
| C13 | C14 | H13 | 109.3° | 109.5° |
| C43 | C13 | O12 | 104.3° | 104.8° |
| C13 | C43 | C45 | 107.6° | 104.0° |
| C13 | C43 | O44 | 109.5° | 110.5° |
| C43 | C13 | H1 | 110.7° | 110.4° |
| C13 | C43 | H23 | 113.4° | 110.5° |
| C13 | O12 | C11 | 106.1° | 105.3° |
| O12 | C13 | H1 | 107.5° | 110.5° |
| C22 | C21 | C19 | 116.2° | 109.4° |
| C21 | C22 | C23 | 113.7° | 109.5° |
| C22 | C21 | H2 | 107.7° | 109.4° |
| C22 | C21 | H3 | 107.8° | 109.5° |
| C21 | C22 | H4 | 108.4° | 109.5° |
| C21 | C22 | H5 | 108.4° | 109.5° |
| C21 | C19 | O18 | 121.2° | 120.0° |
| C21 | C19 | O20 | 116.3° | 120.0° |
| C19 | C21 | H2 | 107.8° | 109.5° |
| C19 | C21 | H3 | 107.7° | 109.5° |
| C22 | C23 | C24 | 113.5° | 109.5° |
| C23 | C22 | H4 | 108.4° | 109.4° |
| C23 | C22 | H5 | 108.4° | 109.5° |
| C22 | C23 | H14 | 108.5° | 109.5° |
| C22 | C23 | H15 | 108.5° | 109.5° |
| C23 | C24 | C25 | 117.8° | 109.5° |
| C23 | C24 | H6 | 107.4° | 109.5° |
| C23 | C24 | H7 | 107.4° | 109.5° |
| C24 | C23 | H14 | 108.4° | 109.5° |
| C24 | C23 | H15 | 108.4° | 109.5° |
| C24 | C25 | S26 | 111.6° | 111.1° |
| C25 | C24 | H6 | 107.4° | 109.5° |
| C25 | C24 | H7 | 107.4° | 109.5° |
| C24 | C25 | H16 | 110.5° | 110.9° |
| C24 | C25 | C33 | 112.8° | 111.0° |
| C27 | C28 | C33 | 104.0° | 112.2° |
| C27 | C28 | N29 | 114.9° | 107.8° |
| C28 | C27 | S26 | 100.2° | 105.3° |
| C27 | C28 | H8 | 108.7° | 110.9° |
| C28 | C27 | H18 | 111.7° | 110.3° |
| C28 | C27 | H19 | 111.7° | 110.3° |
| C33 | C28 | N29 | 106.7° | 102.9° |
| C28 | C33 | N32 | 105.9° | 106.0° |
| C33 | C28 | H8 | 112.3° | 110.9° |
| C28 | C33 | H21 | 111.5° | 110.3° |
| C28 | C33 | C25 | 108.0° | 109.6° |
| C28 | N29 | C30 | 104.2° | 102.9° |
| N29 | C28 | H8 | 110.1° | 111.9° |
| C28 | N29 | H27 | 110.8° | 111.0° |
| N01 | C02 | N03 | 119.6° | 120.8° |
| C02 | N01 | H25 | 109.5° | 120.0° |
| C02 | N01 | H26 | 109.5° | 120.0° |
| C02 | N03 | C04 | 119.7° | 121.2° |
| N03 | C04 | N05 | 120.9° | 122.4° |
| N03 | C04 | H9 | 119.5° | 118.8° |
| C04 | N05 | C06 | 121.8° | 120.7° |
| N05 | C04 | H9 | 119.6° | 118.8° |
| N05 | C06 | N07 | 133.3° | 134.9° |
| C06 | N07 | C08 | 108.6° | 107.5° |
| C06 | N07 | C11 | 124.0° | 126.3° |
| N07 | C08 | N09 | 108.5° | 110.0° |
| C08 | N07 | C11 | 127.4° | 126.3° |
| N07 | C08 | H10 | 125.8° | 125.0° |
| N09 | C08 | H10 | 125.7° | 125.0° |
| C45 | C11 | N07 | 112.1° | 110.3° |
| C45 | C11 | O12 | 106.9° | 104.8° |
| C11 | C45 | C43 | 105.3° | 104.1° |
| C11 | C45 | O46 | 109.7° | 110.5° |
| C45 | C11 | H11 | 113.3° | 110.4° |
| C11 | C45 | H24 | 113.1° | 110.6° |
| N07 | C11 | O12 | 104.1° | 110.4° |
| N07 | C11 | H11 | 110.9° | 110.4° |
| O12 | C11 | H11 | 109.0° | 110.5° |
| C14 | O15 | P16 | 122.8° | 123.0° |
| O15 | C14 | H12 | 109.3° | 109.5° |
| O15 | C14 | H13 | 109.2° | 109.5° |
| O18 | C19 | O20 | 122.5° | 120.0° |
| C19 | O18 | P16 | 130.6° | 117.0° |
| C25 | S26 | C27 | 99.7° | 95.9° |
| S26 | C25 | H16 | 111.9° | 111.0° |
| S26 | C25 | C33 | 101.6° | 101.3° |
| S26 | C27 | H18 | 111.7° | 110.3° |
| S26 | C27 | H19 | 111.7° | 110.3° |
| N29 | C30 | N32 | 103.7° | 105.3° |
| N29 | C30 | O31 | 114.6° | 110.3° |
| N29 | C30 | H20 | 109.5° | 110.3° |
| C30 | N29 | H27 | 110.8° | 111.0° |
| N32 | C30 | O31 | 113.6° | 110.2° |
| C30 | N32 | C33 | 100.5° | 106.7° |
| N32 | C30 | H20 | 106.4° | 110.3° |
| C30 | N32 | H29 | 111.7° | 111.0° |
| O31 | C30 | H20 | 108.7° | 110.3° |
| C30 | O31 | H31 | 109.5° | 114.0° |
| N32 | C33 | H21 | 110.4° | 110.3° |
| C33 | N32 | H29 | 111.7° | 110.9° |
| N32 | C33 | C25 | 113.7° | 109.8° |
| C45 | C43 | O44 | 106.1° | 110.5° |
| C43 | C45 | O46 | 109.7° | 110.5° |
| C45 | C43 | H23 | 108.4° | 110.5° |
| C43 | C45 | H24 | 107.9° | 110.5° |
| O44 | C43 | H23 | 111.5° | 110.6° |
| C43 | O44 | H35 | 109.5° | 114.0° |
| O46 | C45 | H24 | 110.9° | 110.6° |
| C45 | O46 | H36 | 109.5° | 114.0° |
| O15 | P16 | O17 | 106.1° | 109.5° |
| O15 | P16 | O18 | 112.8° | 109.5° |
| O15 | P16 | O34 | 110.3° | 109.4° |
| O17 | P16 | O18 | 106.7° | 109.5° |
| O17 | P16 | O34 | 108.4° | 109.5° |
| O18 | P16 | O34 | 112.2° | 109.5° |
| P16 | O34 | P35 | 132.2° | 134.0° |
| O34 | P35 | O36 | 112.3° | 109.4° |
| O34 | P35 | O37 | 111.5° | 109.5° |
| O34 | P35 | O38 | 111.7° | 109.5° |
| O36 | P35 | O37 | 109.9° | 109.5° |
| O36 | P35 | O38 | 102.3° | 109.5° |
| O37 | P35 | O38 | 108.7° | 109.5° |
| P35 | O37 | H32 | 109.5° | 114.0° |
| P35 | O38 | P39 | 128.9° | 134.0° |
| O38 | P39 | O40 | 104.4° | 109.5° |
| O38 | P39 | O41 | 108.4° | 109.5° |
| O38 | P39 | O42 | 113.5° | 109.5° |
| O40 | P39 | O41 | 110.7° | 109.5° |
| O40 | P39 | O42 | 110.3° | 109.5° |
| O41 | P39 | O42 | 109.3° | 109.4° |
| P39 | O41 | H33 | 109.5° | 114.0° |
| P39 | O42 | H34 | 109.5° | 114.0° |
| H2 | C21 | H3 | 109.5° | 109.5° |
| H4 | C22 | H5 | 109.5° | 109.5° |
| H6 | C24 | H7 | 109.5° | 109.5° |
| H12 | C14 | H13 | 109.5° | 109.4° |
| H14 | C23 | H15 | 109.5° | 109.4° |
| H16 | C25 | C33 | 108.1° | 111.1° |
| H18 | C27 | H19 | 109.5° | 110.3° |
| H21 | C33 | C25 | 107.4° | 110.7° |
| H25 | N01 | H26 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | C10 | C06 | N09 | 179.7° | 179.8° |
| C10 | C02 | N01 | N03 | 179.8° | 179.9° |
| C10 | C02 | N03 | C04 | 0.3° | 0.0° |
| C02 | C10 | C06 | N05 | 0.2° | 0.0° |
| C02 | C10 | C06 | N07 | 179.7° | 180.0° |
| C02 | C10 | N09 | C08 | 179.7° | 179.9° |
| C10 | C02 | N01 | H25 | 179.8° | 0.0° |
| C10 | C02 | N01 | H26 | 59.8° | 180.0° |
| C06 | C10 | C02 | N01 | 179.7° | 180.0° |
| C06 | C10 | C02 | N03 | 0.0° | 0.0° |
| C10 | C06 | N05 | C04 | 0.1° | 0.0° |
| C10 | C06 | N05 | N07 | 179.4° | 180.0° |
| C10 | C06 | N07 | C08 | 0.9° | 0.0° |
| C06 | C10 | N09 | C08 | 0.2° | 0.4° |
| C10 | C06 | N07 | C11 | 178.6° | 179.9° |
| N09 | C10 | C02 | N01 | 0.2° | 0.4° |
| N09 | C10 | C02 | N03 | 179.6° | 179.7° |
| N09 | C10 | C06 | N05 | 179.8° | 179.8° |
| N09 | C10 | C06 | N07 | 0.7° | 0.2° |
| C10 | N09 | C08 | N07 | 0.4° | 0.4° |
| C10 | N09 | C08 | H10 | 179.6° | 179.8° |
| C14 | C13 | C43 | O12 | 122.2° | 118.8° |
| C14 | C13 | C43 | H1 | 122.5° | 122.2° |
| C14 | C13 | O12 | H1 | 117.5° | 122.2° |
| C14 | C13 | O12 | C11 | 109.8° | 159.4° |
| C13 | C14 | O15 | H12 | 120.1° | 120.0° |
| C13 | C14 | O15 | H13 | 120.2° | 120.0° |
| C14 | C13 | C43 | C45 | 95.0° | 142.8° |
| C14 | C13 | C43 | O44 | 150.1° | 98.6° |
| C13 | C14 | O15 | P16 | 91.4° | 180.0° |
| C13 | C14 | H12 | H13 | 119.6° | 120.0° |
| C14 | C13 | C43 | H23 | 24.8° | 24.2° |
| C43 | C13 | O12 | H1 | 117.6° | 118.9° |
| C13 | C43 | C45 | C11 | 33.6° | 0.0° |
| C43 | C13 | O12 | C11 | 15.1° | 40.6° |
| C43 | C13 | C14 | O15 | 179.2° | 175.0° |
| C13 | C43 | C45 | O44 | 117.1° | 118.6° |
| C13 | C43 | C45 | H23 | 123.0° | 118.6° |
| C13 | C43 | O44 | H23 | 126.3° | 122.7° |
| C13 | C43 | C45 | O46 | 151.5° | 118.7° |
| C43 | C13 | C14 | H12 | 60.6° | 55.0° |
| C43 | C13 | C14 | H13 | 59.1° | 65.0° |
| C13 | C43 | C45 | H24 | 87.5° | 118.7° |
| C13 | C43 | O44 | H35 | 22.8° | 180.0° |
| C13 | O12 | C11 | C45 | 6.7° | 40.6° |
| C13 | O12 | C11 | N07 | 125.6° | 159.3° |
| O12 | C13 | C14 | O15 | 60.8° | 69.6° |
| O12 | C13 | C43 | C45 | 27.1° | 24.0° |
| O12 | C13 | C43 | O44 | 87.8° | 142.6° |
| C13 | O12 | C11 | H11 | 116.0° | 78.3° |
| O12 | C13 | C14 | H12 | 179.1° | 170.4° |
| O12 | C13 | C14 | H13 | 59.4° | 50.4° |
| O12 | C13 | C43 | H23 | 147.0° | 94.6° |
| C22 | C21 | C19 | H2 | 121.0° | 120.0° |
| C22 | C21 | C19 | H3 | 121.0° | 120.0° |
| C21 | C22 | C23 | H4 | 120.6° | 120.0° |
| C21 | C22 | C23 | H5 | 120.6° | 120.0° |
| C21 | C22 | C23 | C24 | 162.3° | 180.0° |
| C22 | C21 | C19 | O18 | 133.1° | 180.0° |
| C22 | C21 | C19 | O20 | 48.8° | 0.0° |
| C22 | C21 | H2 | H3 | 116.9° | 120.0° |
| C21 | C22 | H4 | H5 | 118.1° | 120.0° |
| C21 | C22 | C23 | H14 | 77.1° | 60.0° |
| C21 | C22 | C23 | H15 | 41.7° | 60.0° |
| C19 | C21 | C22 | C23 | 179.8° | 180.0° |
| C21 | C19 | O18 | O20 | 178.0° | 179.9° |
| C21 | C19 | O18 | P16 | 140.4° | 180.0° |
| C19 | C21 | H2 | H3 | 116.9° | 120.1° |
| C19 | C21 | C22 | H4 | 59.2° | 60.1° |
| C19 | C21 | C22 | H5 | 59.6° | 60.0° |
| C22 | C23 | C24 | H14 | 120.6° | 120.0° |
| C22 | C23 | C24 | H15 | 120.6° | 120.1° |
| C22 | C23 | C24 | C25 | 156.1° | 180.0° |
| C23 | C22 | C21 | H2 | 58.8° | 60.0° |
| C23 | C22 | C21 | H3 | 59.3° | 60.0° |
| C23 | C22 | H4 | H5 | 118.1° | 120.0° |
| C22 | C23 | C24 | H6 | 82.7° | 60.0° |
| C22 | C23 | C24 | H7 | 35.0° | 60.0° |
| C22 | C23 | H14 | H15 | 118.2° | 120.0° |
| C23 | C24 | C25 | H6 | 121.2° | 120.0° |
| C23 | C24 | C25 | H7 | 121.2° | 120.0° |
| C23 | C24 | C25 | S26 | 178.4° | 66.7° |
| C24 | C23 | C22 | H4 | 41.7° | 60.0° |
| C24 | C23 | C22 | H5 | 77.1° | 60.0° |
| C23 | C24 | H6 | H7 | 116.2° | 120.0° |
| C24 | C23 | H14 | H15 | 118.2° | 120.0° |
| C23 | C24 | C25 | H16 | 53.3° | 57.3° |
| C23 | C24 | C25 | C33 | 67.9° | 178.6° |
| C24 | C25 | C33 | C28 | 145.9° | 157.6° |
| C24 | C25 | S26 | H16 | 124.4° | 123.9° |
| C24 | C25 | S26 | C33 | 120.5° | 118.0° |
| C24 | C25 | S26 | C27 | 166.1° | 153.1° |
| C24 | C25 | C33 | N32 | 28.7° | 41.5° |
| C25 | C24 | H6 | H7 | 116.2° | 120.0° |
| C25 | C24 | C23 | H14 | 35.6° | 60.0° |
| C25 | C24 | C23 | H15 | 83.3° | 59.9° |
| C24 | C25 | H16 | C33 | 124.0° | 124.0° |
| C24 | C25 | C33 | H21 | 93.7° | 80.5° |
| C27 | C28 | C33 | N29 | 121.9° | 115.6° |
| C27 | C28 | C33 | H8 | 117.3° | 124.7° |
| C27 | C28 | N29 | H8 | 123.1° | 122.2° |
| C28 | C27 | S26 | C25 | 50.8° | 21.0° |
| C28 | C27 | S26 | H18 | 118.5° | 119.0° |
| C28 | C27 | S26 | H19 | 118.5° | 119.0° |
| C27 | C28 | N29 | C30 | 92.7° | 80.6° |
| C27 | C28 | C33 | N32 | 128.7° | 91.5° |
| C28 | C27 | H18 | H19 | 124.3° | 122.1° |
| C27 | C28 | C33 | H21 | 111.2° | 149.1° |
| C27 | C28 | N29 | H27 | 26.5° | 38.2° |
| C27 | C28 | C33 | C25 | 6.6° | 27.0° |
| C33 | C28 | N29 | H8 | 122.2° | 119.1° |
| C28 | C33 | C25 | S26 | 26.3° | 39.6° |
| C33 | C28 | C27 | S26 | 33.5° | 0.1° |
| C33 | C28 | N29 | C30 | 22.0° | 38.2° |
| C28 | C33 | N32 | C30 | 28.4° | 0.5° |
| C28 | C33 | N32 | H21 | 120.9° | 119.4° |
| C28 | C33 | N32 | C25 | 118.4° | 118.3° |
| C28 | C33 | C25 | H16 | 91.5° | 78.4° |
| C33 | C28 | C27 | H18 | 85.0° | 119.1° |
| C33 | C28 | C27 | H19 | 152.0° | 118.8° |
| C28 | C33 | H21 | C25 | 118.1° | 121.4° |
| C33 | C28 | N29 | H27 | 141.2° | 157.0° |
| C28 | C33 | N32 | H29 | 146.9° | 120.5° |
| N29 | C28 | C27 | S26 | 82.8° | 112.7° |
| C28 | N29 | C30 | H27 | 119.2° | 118.8° |
| C28 | N29 | C30 | N32 | 39.3° | 38.9° |
| C28 | N29 | C30 | O31 | 163.7° | 157.8° |
| N29 | C28 | C33 | N32 | 6.8° | 24.1° |
| N29 | C28 | C27 | H18 | 158.7° | 128.3° |
| N29 | C28 | C27 | H19 | 35.7° | 6.2° |
| C28 | N29 | C30 | H20 | 73.9° | 80.1° |
| N29 | C28 | C33 | H21 | 126.9° | 95.3° |
| N29 | C28 | C33 | C25 | 115.3° | 142.6° |
| N01 | C02 | N03 | C04 | 179.9° | 179.9° |
| C02 | N01 | H25 | H26 | 120.0° | 180.0° |
| C02 | N03 | C04 | N05 | 0.5° | 0.0° |
| C02 | N03 | C04 | H9 | 179.5° | 180.0° |
| N03 | C02 | N01 | H25 | 0.0° | 180.0° |
| N03 | C02 | N01 | H26 | 120.0° | 0.0° |
| N03 | C04 | N05 | H9 | 180.0° | 179.9° |
| N03 | C04 | N05 | C06 | 0.4° | 0.1° |
| C04 | N05 | C06 | N07 | 179.3° | 180.0° |
| N05 | C06 | N07 | C08 | 179.6° | 180.0° |
| N05 | C06 | N07 | C11 | 2.0° | 0.1° |
| C06 | N05 | C04 | H9 | 179.6° | 180.0° |
| C06 | N07 | C08 | C11 | 177.6° | 179.9° |
| C06 | N07 | C08 | N09 | 0.8° | 0.2° |
| C06 | N07 | C11 | C45 | 166.6° | 85.1° |
| C06 | N07 | C11 | O12 | 78.2° | 159.6° |
| C06 | N07 | C08 | H10 | 179.2° | 180.0° |
| C06 | N07 | C11 | H11 | 38.9° | 37.2° |
| N07 | C08 | N09 | H10 | 180.0° | 179.8° |
| C08 | N07 | C11 | C45 | 16.2° | 95.0° |
| C08 | N07 | C11 | O12 | 99.0° | 20.3° |
| C08 | N07 | C11 | H11 | 143.9° | 142.8° |
| N09 | C08 | N07 | C11 | 178.4° | 179.7° |
| C45 | C11 | N07 | O12 | 115.2° | 115.3° |
| C45 | C11 | N07 | H11 | 127.7° | 122.2° |
| C45 | C11 | O12 | H11 | 122.7° | 118.9° |
| C11 | C45 | C43 | O46 | 118.0° | 118.6° |
| C11 | C45 | C43 | H24 | 121.1° | 118.7° |
| C11 | C45 | C43 | O44 | 83.5° | 118.6° |
| C11 | C45 | O46 | H24 | 125.6° | 122.7° |
| C11 | C45 | C43 | H23 | 156.6° | 118.6° |
| C11 | C45 | O46 | H36 | 180.0° | 180.0° |
| N07 | C11 | O12 | H11 | 118.4° | 122.4° |
| N07 | C11 | C45 | C43 | 134.9° | 142.8° |
| N07 | C11 | C45 | O46 | 107.2° | 98.6° |
| C11 | N07 | C08 | H10 | 1.6° | 0.1° |
| N07 | C11 | C45 | H24 | 17.2° | 24.2° |
| O12 | C11 | C45 | C43 | 21.4° | 24.0° |
| O12 | C11 | C45 | O46 | 139.3° | 142.6° |
| C11 | O12 | C13 | H1 | 132.7° | 78.4° |
| O12 | C11 | C45 | H24 | 96.3° | 94.6° |
| C14 | O15 | P16 | O17 | 36.7° | 55.0° |
| C14 | O15 | P16 | O18 | 153.1° | 175.0° |
| C14 | O15 | P16 | O34 | 80.6° | 65.0° |
| O15 | C14 | C13 | H1 | 56.6° | 52.7° |
| O15 | C14 | H12 | H13 | 119.5° | 120.0° |
| C19 | O18 | P16 | O15 | 44.4° | 175.0° |
| C19 | O18 | P16 | O17 | 160.4° | 55.0° |
| C19 | O18 | P16 | O34 | 80.9° | 65.0° |
| O18 | C19 | C21 | H2 | 12.1° | 60.0° |
| O18 | C19 | C21 | H3 | 105.9° | 60.0° |
| O20 | C19 | O18 | P16 | 41.6° | 0.1° |
| O20 | C19 | C21 | H2 | 169.8° | 119.9° |
| O20 | C19 | C21 | H3 | 72.2° | 120.0° |
| S26 | C25 | C33 | N32 | 90.9° | 76.5° |
| S26 | C25 | C24 | H6 | 60.4° | 173.3° |
| S26 | C25 | C24 | H7 | 57.3° | 53.3° |
| S26 | C25 | H16 | C33 | 111.0° | 112.0° |
| C25 | S26 | C27 | H18 | 67.7° | 98.0° |
| C25 | S26 | C27 | H19 | 169.2° | 140.0° |
| S26 | C25 | C33 | H21 | 146.7° | 161.4° |
| S26 | C27 | C28 | H8 | 153.3° | 124.5° |
| C27 | S26 | C25 | H16 | 69.5° | 83.0° |
| S26 | C27 | H18 | H19 | 124.3° | 122.0° |
| C27 | S26 | C25 | C33 | 45.6° | 35.1° |
| N29 | C30 | N32 | O31 | 125.0° | 118.9° |
| N29 | C30 | N32 | H20 | 115.4° | 119.0° |
| N29 | C30 | O31 | H20 | 122.8° | 122.1° |
| N29 | C30 | N32 | C33 | 43.7° | 23.7° |
| C30 | N29 | C28 | H8 | 144.2° | 157.3° |
| N29 | C30 | N32 | H29 | 162.3° | 144.7° |
| N29 | C30 | O31 | H31 | 180.0° | 61.5° |
| N32 | C30 | O31 | H20 | 118.2° | 122.0° |
| C30 | N32 | C33 | H29 | 118.5° | 121.0° |
| C30 | N32 | C33 | H21 | 149.3° | 118.9° |
| N32 | C30 | N29 | H27 | 158.5° | 157.7° |
| N32 | C30 | O31 | H31 | 61.1° | 177.3° |
| C30 | N32 | C33 | C25 | 90.0° | 118.8° |
| O31 | C30 | N32 | C33 | 168.8° | 142.6° |
| O31 | C30 | N29 | H27 | 77.1° | 83.4° |
| O31 | C30 | N32 | H29 | 72.7° | 96.4° |
| N32 | C33 | C28 | H8 | 114.0° | 143.9° |
| N32 | C33 | C25 | H16 | 151.2° | 165.5° |
| C33 | N32 | C30 | H20 | 71.7° | 95.3° |
| N32 | C33 | H21 | C25 | 124.4° | 121.7° |
| C45 | C43 | O44 | H23 | 117.9° | 122.8° |
| C43 | C45 | O46 | H24 | 119.1° | 122.6° |
| C45 | C43 | C13 | H1 | 142.5° | 95.0° |
| C43 | C45 | C11 | H11 | 98.7° | 94.9° |
| C45 | C43 | O44 | H35 | 138.7° | 65.4° |
| C43 | C45 | O46 | H36 | 64.8° | 65.3° |
| O44 | C43 | C45 | O46 | 34.4° | 0.1° |
| O44 | C43 | C13 | H1 | 27.6° | 23.6° |
| O44 | C43 | C45 | H24 | 155.4° | 122.7° |
| O46 | C45 | C11 | H11 | 19.3° | 23.7° |
| O46 | C45 | C43 | H23 | 85.5° | 122.7° |
| O15 | P16 | O17 | O18 | 120.5° | 120.0° |
| O15 | P16 | O17 | O34 | 118.4° | 120.0° |
| O15 | P16 | O18 | O34 | 125.2° | 120.0° |
| O15 | P16 | O34 | P35 | 79.9° | 165.0° |
| P16 | O15 | C14 | H12 | 28.8° | 60.0° |
| P16 | O15 | C14 | H13 | 148.5° | 59.9° |
| O17 | P16 | O18 | O34 | 118.7° | 120.0° |
| O17 | P16 | O34 | P35 | 35.9° | 45.0° |
| O18 | P16 | O34 | P35 | 153.5° | 75.0° |
| P16 | O34 | P35 | O36 | 73.9° | 40.0° |
| P16 | O34 | P35 | O37 | 50.0° | 80.0° |
| P16 | O34 | P35 | O38 | 171.9° | 160.0° |
| O34 | P35 | O36 | O37 | 124.7° | 120.0° |
| O34 | P35 | O36 | O38 | 119.9° | 120.0° |
| O34 | P35 | O37 | O38 | 123.6° | 120.0° |
| O34 | P35 | O38 | P39 | 98.1° | 165.0° |
| O34 | P35 | O37 | H32 | 125.2° | 60.1° |
| O36 | P35 | O37 | O38 | 111.2° | 120.0° |
| O36 | P35 | O38 | P39 | 141.6° | 45.1° |
| O36 | P35 | O37 | H32 | 0.0° | 180.0° |
| O37 | P35 | O38 | P39 | 25.3° | 75.0° |
| P35 | O38 | P39 | O40 | 164.5° | 44.9° |
| P35 | O38 | P39 | O41 | 77.4° | 165.0° |
| P35 | O38 | P39 | O42 | 44.3° | 75.1° |
| O38 | P35 | O37 | H32 | 111.2° | 59.9° |
| O38 | P39 | O40 | O41 | 116.5° | 120.0° |
| O38 | P39 | O40 | O42 | 122.3° | 120.0° |
| O38 | P39 | O41 | O42 | 124.2° | 120.0° |
| O38 | P39 | O41 | H33 | 114.0° | 180.0° |
| O38 | P39 | O42 | H34 | 116.8° | 59.9° |
| O40 | P39 | O41 | O42 | 121.8° | 120.0° |
| O40 | P39 | O41 | H33 | 0.0° | 60.0° |
| O40 | P39 | O42 | H34 | 0.0° | 180.0° |
| O41 | P39 | O42 | H34 | 122.0° | 60.0° |
| O42 | P39 | O41 | H33 | 121.8° | 60.0° |
| H1 | C13 | C14 | H12 | 63.5° | 67.3° |
| H1 | C13 | C14 | H13 | 176.8° | 172.8° |
| H1 | C13 | C43 | H23 | 97.7° | 146.4° |
| H2 | C21 | C22 | H4 | 61.8° | 59.9° |
| H2 | C21 | C22 | H5 | 179.4° | 180.0° |
| H3 | C21 | C22 | H4 | 179.9° | 179.9° |
| H3 | C21 | C22 | H5 | 61.3° | 60.0° |
| H4 | C22 | C23 | H14 | 162.3° | 180.0° |
| H4 | C22 | C23 | H15 | 78.9° | 60.0° |
| H5 | C22 | C23 | H14 | 43.5° | 60.0° |
| H5 | C22 | C23 | H15 | 162.4° | 180.0° |
| H6 | C24 | C23 | H14 | 156.8° | 180.0° |
| H6 | C24 | C23 | H15 | 37.9° | 60.1° |
| H6 | C24 | C25 | H16 | 174.5° | 62.7° |
| H6 | C24 | C25 | C33 | 53.3° | 61.4° |
| H7 | C24 | C23 | H14 | 85.6° | 60.0° |
| H7 | C24 | C23 | H15 | 155.6° | 179.9° |
| H7 | C24 | C25 | H16 | 67.9° | 177.3° |
| H7 | C24 | C25 | C33 | 170.9° | 58.6° |
| H8 | C28 | C27 | H18 | 34.8° | 5.6° |
| H8 | C28 | C27 | H19 | 88.2° | 116.5° |
| H8 | C28 | C33 | H21 | 6.1° | 24.4° |
| H8 | C28 | N29 | H27 | 96.6° | 84.0° |
| H8 | C28 | C33 | C25 | 123.9° | 97.7° |
| H11 | C11 | C45 | H24 | 143.7° | 146.4° |
| H16 | C25 | C33 | H21 | 28.9° | 43.4° |
| H20 | C30 | N29 | H27 | 45.3° | 38.7° |
| H20 | C30 | N32 | H29 | 46.9° | 25.7° |
| H20 | C30 | O31 | H31 | 57.1° | 60.6° |
| H21 | C33 | N32 | H29 | 92.2° | 120.0° |
| H23 | C43 | C45 | H24 | 35.5° | 0.1° |
| H23 | C43 | O44 | H35 | 103.5° | 57.3° |
| H24 | C45 | O46 | H36 | 54.4° | 57.3° |
| H29 | N32 | C33 | C25 | 28.5° | 2.2° |
