A1BK3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C25 | O24 | sing | 1.45Å | 1.43Å | |
| O26 | C23 | doub | 1.21Å | 1.22Å | |
| C08 | N09 | sing | 1.47Å | 1.47Å | |
| C08 | C07 | sing | 1.53Å | 1.55Å | |
| O24 | C23 | sing | 1.34Å | 1.36Å | |
| C23 | C20 | sing | 1.51Å | 1.56Å | |
| C07 | C06 | sing | 1.53Å | 1.56Å | |
| C20 | O21 | sing | 1.43Å | 1.39Å | |
| C20 | C12 | sing | 1.53Å | 1.62Å | |
| C06 | C05 | sing | 1.53Å | 1.55Å | |
| O27 | C10 | doub | 1.21Å | 1.22Å | |
| C12 | N11 | sing | 1.46Å | 1.46Å | |
| C12 | C13 | sing | 1.53Å | 1.56Å | |
| C05 | C04 | sing | 1.53Å | 1.61Å | |
| C10 | N11 | sing | 1.35Å | 1.40Å | |
| C10 | C04 | sing | 1.51Å | 1.59Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C04 | N03 | sing | 1.47Å | 1.49Å | |
| N03 | C02 | sing | 1.35Å | 1.43Å | |
| C29 | C30 | sing | 1.51Å | 1.50Å | |
| C29 | C28 | sing | 1.53Å | 1.54Å | |
| C02 | O01 | doub | 1.21Å | 1.22Å | |
| C02 | C28 | sing | 1.51Å | 1.61Å | |
| C14 | C18 | sing | 1.54Å | 1.54Å | |
| C14 | C15 | sing | 1.52Å | 1.53Å | |
| C30 | C35 | doub | 1.38Å | 1.40Å | Aromatic |
| C30 | C31 | sing | 1.38Å | 1.40Å | Aromatic |
| C18 | C17 | sing | 1.51Å | 1.54Å | |
| C35 | C34 | sing | 1.38Å | 1.39Å | Aromatic |
| C31 | C32 | doub | 1.38Å | 1.40Å | Aromatic |
| C28 | N36 | sing | 1.47Å | 1.49Å | |
| C34 | C33 | doub | 1.38Å | 1.39Å | Aromatic |
| C32 | C33 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | O19 | doub | 1.21Å | 1.23Å | |
| C15 | N16 | sing | 1.34Å | 1.39Å | |
| C17 | N16 | doub | 1.29Å | 1.46Å | |
| N36 | C37 | sing | 1.35Å | 1.42Å | |
| C37 | O38 | doub | 1.22Å | 1.39Å | |
| C37 | O46 | sing | 1.35Å | 1.23Å | |
| C31 | H1 | sing | 1.08Å | 1.08Å | |
| C32 | H2 | sing | 1.08Å | 1.08Å | |
| C33 | H3 | sing | 1.08Å | 1.08Å | |
| C34 | H4 | sing | 1.08Å | 1.08Å | |
| C35 | H5 | sing | 1.08Å | 1.08Å | |
| C29 | H6 | sing | 1.09Å | 1.10Å | |
| C29 | H7 | sing | 1.09Å | 1.10Å | |
| C28 | H8 | sing | 1.09Å | 1.10Å | |
| N36 | H9 | sing | 0.97Å | 1.00Å | |
| O46 | H10 | sing | 0.97Å | 0.95Å | |
| N03 | H11 | sing | 0.97Å | 1.00Å | |
| C04 | H12 | sing | 1.09Å | 1.10Å | |
| C05 | H13 | sing | 1.09Å | 1.10Å | |
| C05 | H14 | sing | 1.09Å | 1.10Å | |
| C06 | H15 | sing | 1.09Å | 1.10Å | |
| C06 | H16 | sing | 1.09Å | 1.10Å | |
| C07 | H17 | sing | 1.09Å | 1.10Å | |
| C07 | H18 | sing | 1.09Å | 1.10Å | |
| C08 | H19 | sing | 1.09Å | 1.10Å | |
| C08 | H20 | sing | 1.09Å | 1.10Å | |
| N09 | H21 | sing | 1.01Å | 1.00Å | |
| N09 | H22 | sing | 1.01Å | 1.00Å | |
| C13 | H24 | sing | 1.09Å | 1.10Å | |
| C13 | H25 | sing | 1.09Å | 1.10Å | |
| C17 | H26 | sing | 1.08Å | 1.08Å | |
| C20 | H27 | sing | 1.09Å | 1.10Å | |
| C12 | H28 | sing | 1.09Å | 1.10Å | |
| C14 | H29 | sing | 1.09Å | 1.10Å | |
| C18 | H30 | sing | 1.09Å | 1.10Å | |
| C18 | H31 | sing | 1.09Å | 1.10Å | |
| C25 | H32 | sing | 1.09Å | 1.10Å | |
| C25 | H33 | sing | 1.09Å | 1.10Å | |
| C25 | H34 | sing | 1.09Å | 1.10Å | |
| N11 | H35 | sing | 0.97Å | 1.00Å | |
| O21 | H36 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | O24 | C23 | 118.4° | 117.0° |
| O24 | C25 | H32 | 109.5° | 109.5° |
| O24 | C25 | H33 | 109.4° | 109.5° |
| O24 | C25 | H34 | 109.5° | 109.5° |
| O26 | C23 | O24 | 119.1° | 120.0° |
| O26 | C23 | C20 | 124.1° | 120.0° |
| N09 | C08 | C07 | 112.5° | 109.5° |
| N09 | C08 | H19 | 108.7° | 109.4° |
| N09 | C08 | H20 | 108.7° | 109.5° |
| C08 | N09 | H21 | 109.5° | 111.0° |
| C08 | N09 | H22 | 109.5° | 111.0° |
| C08 | C07 | C06 | 116.0° | 109.4° |
| C08 | C07 | H17 | 107.8° | 109.5° |
| C08 | C07 | H18 | 107.8° | 109.4° |
| C07 | C08 | H19 | 108.7° | 109.5° |
| C07 | C08 | H20 | 108.7° | 109.5° |
| O24 | C23 | C20 | 116.8° | 120.0° |
| C23 | C20 | O21 | 107.1° | 109.5° |
| C23 | C20 | C12 | 111.5° | 109.4° |
| C23 | C20 | H27 | 109.2° | 109.5° |
| C07 | C06 | C05 | 116.2° | 109.4° |
| C07 | C06 | H15 | 107.8° | 109.5° |
| C07 | C06 | H16 | 107.7° | 109.5° |
| C06 | C07 | H17 | 107.8° | 109.5° |
| C06 | C07 | H18 | 107.8° | 109.5° |
| O21 | C20 | C12 | 108.7° | 109.5° |
| O21 | C20 | H27 | 111.7° | 109.5° |
| C20 | O21 | H36 | 109.5° | 114.0° |
| C20 | C12 | N11 | 110.5° | 109.5° |
| C20 | C12 | C13 | 109.9° | 109.4° |
| C12 | C20 | H27 | 108.6° | 109.5° |
| C20 | C12 | H28 | 106.7° | 109.5° |
| C06 | C05 | C04 | 119.7° | 109.4° |
| C06 | C05 | H13 | 106.8° | 109.5° |
| C06 | C05 | H14 | 106.9° | 109.5° |
| C05 | C06 | H15 | 107.8° | 109.5° |
| C05 | C06 | H16 | 107.8° | 109.4° |
| O27 | C10 | N11 | 119.1° | 120.0° |
| O27 | C10 | C04 | 118.6° | 120.0° |
| N11 | C12 | C13 | 113.7° | 109.4° |
| C12 | N11 | C10 | 125.5° | 120.0° |
| N11 | C12 | H28 | 108.5° | 109.5° |
| C12 | N11 | H35 | 117.3° | 120.0° |
| C12 | C13 | C14 | 112.2° | 109.4° |
| C12 | C13 | H24 | 108.8° | 109.5° |
| C12 | C13 | H25 | 108.8° | 109.4° |
| C13 | C12 | H28 | 107.3° | 109.5° |
| C05 | C04 | C10 | 108.0° | 109.5° |
| C05 | C04 | N03 | 113.8° | 109.4° |
| C05 | C04 | H12 | 106.7° | 109.5° |
| C04 | C05 | H13 | 106.9° | 109.5° |
| C04 | C05 | H14 | 106.9° | 109.4° |
| N11 | C10 | C04 | 122.3° | 120.0° |
| C10 | N11 | H35 | 117.2° | 120.0° |
| C10 | C04 | N03 | 113.1° | 109.5° |
| C10 | C04 | H12 | 106.9° | 109.5° |
| C13 | C14 | C18 | 116.0° | 110.8° |
| C13 | C14 | C15 | 114.4° | 110.7° |
| C14 | C13 | H24 | 108.8° | 109.5° |
| C14 | C13 | H25 | 108.8° | 109.5° |
| C13 | C14 | H29 | 107.5° | 110.6° |
| C04 | N03 | C02 | 125.2° | 120.0° |
| C04 | N03 | H11 | 117.4° | 120.0° |
| N03 | C04 | H12 | 108.0° | 109.5° |
| N03 | C02 | O01 | 118.3° | 120.0° |
| N03 | C02 | C28 | 123.2° | 120.0° |
| C02 | N03 | H11 | 117.4° | 120.0° |
| C30 | C29 | C28 | 109.0° | 109.4° |
| C29 | C30 | C35 | 120.1° | 120.0° |
| C29 | C30 | C31 | 122.0° | 120.0° |
| C30 | C29 | H6 | 109.6° | 109.4° |
| C30 | C29 | H7 | 109.6° | 109.5° |
| C29 | C28 | C02 | 114.9° | 109.4° |
| C29 | C28 | N36 | 106.8° | 109.5° |
| C28 | C29 | H6 | 109.6° | 109.5° |
| C28 | C29 | H7 | 109.6° | 109.5° |
| C29 | C28 | H8 | 107.8° | 109.5° |
| O01 | C02 | C28 | 118.4° | 120.0° |
| C02 | C28 | N36 | 111.6° | 109.5° |
| C02 | C28 | H8 | 107.0° | 109.5° |
| C18 | C14 | C15 | 103.3° | 102.7° |
| C14 | C18 | C17 | 107.8° | 103.2° |
| C18 | C14 | H29 | 107.5° | 110.9° |
| C14 | C18 | H30 | 109.9° | 110.7° |
| C14 | C18 | H31 | 109.9° | 110.7° |
| C14 | C15 | O19 | 127.6° | 125.7° |
| C14 | C15 | N16 | 110.4° | 108.7° |
| C15 | C14 | H29 | 107.6° | 110.8° |
| C35 | C30 | C31 | 117.8° | 120.0° |
| C30 | C35 | C34 | 121.5° | 120.0° |
| C30 | C35 | H5 | 119.2° | 120.0° |
| C30 | C31 | C32 | 120.7° | 120.0° |
| C30 | C31 | H1 | 119.7° | 120.0° |
| C18 | C17 | N16 | 104.8° | 109.9° |
| C18 | C17 | H26 | 127.6° | 125.1° |
| C17 | C18 | H30 | 109.9° | 110.7° |
| C17 | C18 | H31 | 109.9° | 110.6° |
| C35 | C34 | C33 | 120.3° | 120.0° |
| C35 | C34 | H4 | 119.8° | 120.0° |
| C34 | C35 | H5 | 119.3° | 120.0° |
| C31 | C32 | C33 | 120.8° | 120.0° |
| C32 | C31 | H1 | 119.7° | 120.0° |
| C31 | C32 | H2 | 119.6° | 120.0° |
| C28 | N36 | C37 | 129.0° | 120.0° |
| N36 | C28 | H8 | 108.5° | 109.4° |
| C28 | N36 | H9 | 115.5° | 119.9° |
| C34 | C33 | C32 | 118.9° | 120.0° |
| C34 | C33 | H3 | 120.5° | 120.0° |
| C33 | C34 | H4 | 119.8° | 120.0° |
| C33 | C32 | H2 | 119.6° | 120.0° |
| C32 | C33 | H3 | 120.6° | 120.0° |
| O19 | C15 | N16 | 122.0° | 125.7° |
| C15 | N16 | C17 | 112.7° | 115.5° |
| N16 | C17 | H26 | 127.6° | 125.1° |
| N36 | C37 | O38 | 121.9° | 120.0° |
| N36 | C37 | O46 | 119.4° | 120.0° |
| C37 | N36 | H9 | 115.5° | 120.0° |
| O38 | C37 | O46 | 118.7° | 120.0° |
| C37 | O46 | H10 | 109.5° | 117.0° |
| H6 | C29 | H7 | 109.5° | 109.5° |
| H13 | C05 | H14 | 109.5° | 109.5° |
| H15 | C06 | H16 | 109.5° | 109.5° |
| H17 | C07 | H18 | 109.5° | 109.5° |
| H19 | C08 | H20 | 109.5° | 109.5° |
| H21 | N09 | H22 | 109.4° | 111.0° |
| H24 | C13 | H25 | 109.5° | 109.4° |
| H30 | C18 | H31 | 109.5° | 110.7° |
| H32 | C25 | H33 | 109.5° | 109.5° |
| H32 | C25 | H34 | 109.5° | 109.5° |
| H33 | C25 | H34 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C25 | O24 | C23 | O26 | 19.0° | 0.0° |
| C25 | O24 | C23 | C20 | 160.3° | 180.0° |
| O24 | C25 | H32 | H33 | 120.0° | 120.0° |
| O24 | C25 | H32 | H34 | 120.0° | 120.0° |
| O24 | C25 | H33 | H34 | 120.0° | 120.0° |
| O26 | C23 | O24 | C20 | 179.3° | 180.0° |
| O26 | C23 | C20 | O21 | 171.3° | 5.0° |
| O26 | C23 | C20 | C12 | 69.9° | 115.0° |
| O26 | C23 | C20 | H27 | 50.1° | 125.0° |
| N09 | C08 | C07 | H19 | 120.4° | 119.9° |
| N09 | C08 | C07 | H20 | 120.4° | 120.0° |
| N09 | C08 | C07 | C06 | 154.8° | 180.0° |
| N09 | C08 | C07 | H17 | 84.2° | 60.0° |
| N09 | C08 | C07 | H18 | 33.9° | 60.0° |
| N09 | C08 | H19 | H20 | 118.6° | 119.9° |
| C08 | N09 | H21 | H22 | 120.0° | 124.0° |
| C08 | C07 | C06 | H17 | 121.0° | 120.0° |
| C08 | C07 | C06 | H18 | 120.9° | 119.9° |
| C08 | C07 | C06 | C05 | 93.1° | 180.0° |
| C08 | C07 | C06 | H15 | 27.9° | 60.0° |
| C08 | C07 | C06 | H16 | 145.9° | 60.0° |
| C08 | C07 | H17 | H18 | 117.0° | 120.0° |
| C07 | C08 | H19 | H20 | 118.7° | 120.1° |
| C07 | C08 | N09 | H21 | 180.0° | 56.0° |
| C07 | C08 | N09 | H22 | 60.0° | 180.0° |
| O24 | C23 | C20 | O21 | 7.9° | 175.0° |
| O24 | C23 | C20 | C12 | 110.9° | 65.0° |
| O24 | C23 | C20 | H27 | 129.1° | 55.0° |
| C23 | O24 | C25 | H32 | 180.0° | 60.0° |
| C23 | O24 | C25 | H33 | 60.0° | 60.0° |
| C23 | O24 | C25 | H34 | 60.0° | 180.0° |
| C23 | C20 | O21 | C12 | 120.6° | 120.0° |
| C23 | C20 | O21 | H27 | 119.6° | 120.0° |
| C23 | C20 | C12 | H27 | 120.3° | 120.0° |
| C23 | C20 | C12 | N11 | 52.6° | 60.0° |
| C23 | C20 | C12 | C13 | 178.8° | 180.0° |
| C23 | C20 | C12 | H28 | 65.1° | 60.0° |
| C23 | C20 | O21 | H36 | 180.0° | 60.0° |
| C07 | C06 | C05 | H15 | 121.0° | 120.0° |
| C07 | C06 | C05 | H16 | 121.0° | 120.0° |
| C07 | C06 | C05 | C04 | 142.4° | 180.0° |
| C07 | C06 | C05 | H13 | 21.0° | 60.0° |
| C07 | C06 | C05 | H14 | 96.1° | 60.1° |
| C07 | C06 | H15 | H16 | 116.9° | 120.1° |
| C06 | C07 | H17 | H18 | 117.0° | 120.1° |
| C06 | C07 | C08 | H19 | 34.4° | 60.0° |
| C06 | C07 | C08 | H20 | 84.7° | 60.0° |
| O21 | C20 | C12 | H27 | 121.8° | 120.0° |
| O21 | C20 | C12 | N11 | 65.3° | 60.0° |
| O21 | C20 | C12 | C13 | 60.9° | 59.9° |
| O21 | C20 | C12 | H28 | 177.0° | 180.0° |
| C20 | C12 | N11 | C13 | 124.1° | 119.9° |
| C20 | C12 | N11 | H28 | 116.6° | 120.0° |
| C20 | C12 | C13 | H28 | 115.6° | 120.0° |
| C20 | C12 | N11 | C10 | 107.4° | 97.9° |
| C20 | C12 | C13 | C14 | 164.0° | 176.6° |
| C20 | C12 | C13 | H24 | 43.5° | 63.3° |
| C20 | C12 | C13 | H25 | 75.6° | 56.7° |
| C20 | C12 | N11 | H35 | 72.5° | 82.0° |
| C12 | C20 | O21 | H36 | 59.4° | 60.0° |
| C06 | C05 | C04 | H13 | 121.4° | 120.0° |
| C06 | C05 | C04 | H14 | 121.5° | 119.9° |
| C06 | C05 | C04 | C10 | 81.0° | 175.0° |
| C06 | C05 | C04 | N03 | 45.5° | 65.1° |
| C06 | C05 | C04 | H12 | 164.5° | 54.9° |
| C06 | C05 | H13 | H14 | 115.4° | 120.1° |
| C05 | C06 | H15 | H16 | 117.0° | 120.0° |
| C05 | C06 | C07 | H17 | 146.0° | 60.0° |
| C05 | C06 | C07 | H18 | 27.9° | 60.1° |
| O27 | C10 | N11 | C12 | 0.5° | 0.0° |
| O27 | C10 | C04 | C05 | 91.5° | 119.9° |
| O27 | C10 | N11 | C04 | 178.4° | 180.0° |
| O27 | C10 | C04 | N03 | 35.3° | 0.0° |
| O27 | C10 | C04 | H12 | 154.0° | 120.0° |
| O27 | C10 | N11 | H35 | 179.5° | 179.9° |
| N11 | C12 | C13 | H28 | 120.0° | 120.0° |
| C12 | N11 | C10 | H35 | 180.0° | 179.9° |
| C12 | N11 | C10 | C04 | 177.9° | 180.0° |
| N11 | C12 | C13 | C14 | 39.6° | 63.4° |
| N11 | C12 | C13 | H24 | 80.8° | 56.6° |
| N11 | C12 | C13 | H25 | 160.0° | 176.6° |
| N11 | C12 | C20 | H27 | 173.0° | 180.0° |
| C13 | C12 | N11 | C10 | 128.5° | 142.2° |
| C12 | C13 | C14 | H24 | 120.4° | 120.1° |
| C12 | C13 | C14 | H25 | 120.4° | 119.9° |
| C12 | C13 | C14 | C18 | 85.8° | 66.6° |
| C12 | C13 | C14 | C15 | 154.0° | 179.9° |
| C12 | C13 | H24 | H25 | 118.7° | 120.0° |
| C13 | C12 | C20 | H27 | 60.8° | 60.1° |
| C12 | C13 | C14 | H29 | 34.5° | 56.9° |
| C13 | C12 | N11 | H35 | 51.5° | 37.9° |
| C05 | C04 | C10 | N11 | 90.1° | 60.0° |
| C05 | C04 | C10 | N03 | 126.8° | 120.0° |
| C05 | C04 | C10 | H12 | 114.5° | 120.1° |
| C05 | C04 | N03 | H12 | 118.3° | 120.0° |
| C05 | C04 | N03 | C02 | 170.9° | 85.1° |
| C05 | C04 | N03 | H11 | 9.1° | 95.0° |
| C04 | C05 | H13 | H14 | 115.4° | 119.9° |
| C04 | C05 | C06 | H15 | 96.6° | 59.9° |
| C04 | C05 | C06 | H16 | 21.5° | 60.0° |
| N11 | C10 | C04 | N03 | 143.0° | 180.0° |
| N11 | C10 | C04 | H12 | 24.3° | 60.0° |
| C10 | N11 | C12 | H28 | 9.2° | 22.1° |
| C10 | C04 | N03 | H12 | 118.1° | 120.0° |
| C10 | C04 | N03 | C02 | 47.2° | 154.9° |
| C10 | C04 | N03 | H11 | 132.8° | 25.0° |
| C10 | C04 | C05 | H13 | 157.6° | 65.0° |
| C10 | C04 | C05 | H14 | 40.5° | 55.0° |
| C04 | C10 | N11 | H35 | 2.1° | 0.1° |
| C13 | C14 | C18 | C15 | 126.1° | 118.3° |
| C13 | C14 | C18 | H29 | 120.3° | 123.3° |
| C13 | C14 | C15 | H29 | 119.4° | 123.1° |
| C13 | C14 | C18 | C17 | 135.6° | 118.3° |
| C13 | C14 | C15 | O19 | 47.2° | 61.7° |
| C13 | C14 | C15 | N16 | 133.3° | 118.6° |
| C14 | C13 | H24 | H25 | 118.8° | 120.0° |
| C14 | C13 | C12 | H28 | 80.4° | 56.6° |
| C13 | C14 | C18 | H30 | 15.9° | 123.2° |
| C13 | C14 | C18 | H31 | 104.6° | 0.1° |
| C04 | N03 | C02 | H11 | 180.0° | 179.9° |
| C04 | N03 | C02 | O01 | 0.2° | 0.1° |
| C04 | N03 | C02 | C28 | 179.0° | 180.0° |
| N03 | C04 | C05 | H13 | 75.9° | 55.0° |
| N03 | C04 | C05 | H14 | 167.0° | 175.0° |
| N03 | C02 | C28 | C29 | 89.5° | 80.1° |
| N03 | C02 | O01 | C28 | 178.9° | 179.9° |
| N03 | C02 | C28 | N36 | 148.7° | 160.0° |
| N03 | C02 | C28 | H8 | 30.1° | 40.0° |
| C02 | N03 | C04 | H12 | 70.8° | 35.0° |
| C30 | C29 | C28 | H6 | 120.0° | 119.9° |
| C30 | C29 | C28 | H7 | 119.9° | 120.0° |
| C30 | C29 | C28 | C02 | 170.1° | 175.0° |
| C29 | C30 | C35 | C31 | 178.5° | 179.5° |
| C29 | C30 | C35 | C34 | 179.5° | 180.0° |
| C29 | C30 | C31 | C32 | 179.4° | 180.0° |
| C30 | C29 | C28 | N36 | 65.5° | 65.1° |
| C29 | C30 | C31 | H1 | 0.5° | 0.3° |
| C29 | C30 | C35 | H5 | 0.5° | 0.2° |
| C30 | C29 | H6 | H7 | 120.2° | 120.0° |
| C30 | C29 | C28 | H8 | 50.9° | 55.0° |
| C29 | C28 | C02 | O01 | 91.7° | 100.0° |
| C29 | C28 | C02 | N36 | 121.8° | 120.0° |
| C29 | C28 | C02 | H8 | 119.6° | 120.1° |
| C28 | C29 | C30 | C35 | 63.0° | 90.0° |
| C28 | C29 | C30 | C31 | 115.4° | 90.5° |
| C29 | C28 | N36 | H8 | 116.0° | 120.1° |
| C29 | C28 | N36 | C37 | 166.7° | 59.9° |
| C28 | C29 | H6 | H7 | 120.2° | 120.1° |
| C29 | C28 | N36 | H9 | 13.3° | 120.0° |
| O01 | C02 | C28 | N36 | 30.1° | 20.0° |
| O01 | C02 | C28 | H8 | 148.7° | 139.9° |
| O01 | C02 | N03 | H11 | 179.8° | 180.0° |
| C02 | C28 | N36 | H8 | 117.7° | 120.0° |
| C02 | C28 | N36 | C37 | 67.0° | 60.0° |
| C02 | C28 | C29 | H6 | 50.1° | 55.1° |
| C02 | C28 | C29 | H7 | 70.0° | 65.0° |
| C02 | C28 | N36 | H9 | 113.0° | 120.0° |
| C28 | C02 | N03 | H11 | 1.0° | 0.1° |
| C18 | C14 | C15 | H29 | 113.5° | 118.5° |
| C14 | C18 | C17 | H30 | 119.7° | 118.5° |
| C14 | C18 | C17 | H31 | 119.7° | 118.4° |
| C18 | C14 | C15 | O19 | 174.3° | 180.0° |
| C18 | C14 | C15 | N16 | 6.2° | 0.3° |
| C14 | C18 | C17 | N16 | 9.5° | 0.3° |
| C18 | C14 | C13 | H24 | 153.8° | 173.4° |
| C18 | C14 | C13 | H25 | 34.6° | 53.4° |
| C14 | C18 | C17 | H26 | 170.5° | 179.8° |
| C14 | C18 | H30 | H31 | 120.7° | 123.1° |
| C15 | C14 | C18 | C17 | 9.5° | 0.0° |
| C14 | C15 | O19 | N16 | 179.4° | 179.6° |
| C14 | C15 | N16 | C17 | 0.3° | 0.5° |
| C15 | C14 | C13 | H24 | 33.6° | 60.1° |
| C15 | C14 | C13 | H25 | 85.6° | 59.9° |
| C15 | C14 | C18 | H30 | 110.2° | 118.5° |
| C15 | C14 | C18 | H31 | 129.3° | 118.4° |
| C30 | C35 | C34 | H5 | 180.0° | 179.8° |
| C35 | C30 | C31 | C32 | 1.0° | 0.5° |
| C30 | C35 | C34 | C33 | 0.6° | 0.3° |
| C35 | C30 | C31 | H1 | 179.0° | 179.8° |
| C30 | C35 | C34 | H4 | 179.4° | 179.8° |
| C35 | C30 | C29 | H6 | 56.9° | 150.1° |
| C35 | C30 | C29 | H7 | 177.0° | 30.0° |
| C31 | C30 | C35 | C34 | 1.0° | 0.5° |
| C30 | C31 | C32 | H1 | 180.0° | 179.7° |
| C30 | C31 | C32 | C33 | 0.5° | 0.3° |
| C30 | C31 | C32 | H2 | 179.5° | 179.7° |
| C31 | C30 | C35 | H5 | 179.0° | 179.7° |
| C31 | C30 | C29 | H6 | 124.7° | 29.4° |
| C31 | C30 | C29 | H7 | 4.6° | 149.4° |
| C18 | C17 | N16 | C15 | 5.8° | 0.5° |
| C18 | C17 | N16 | H26 | 180.0° | 179.5° |
| C17 | C18 | C14 | H29 | 104.1° | 118.5° |
| C17 | C18 | H30 | H31 | 120.8° | 123.0° |
| C35 | C34 | C33 | H4 | 180.0° | 179.9° |
| C35 | C34 | C33 | C32 | 0.0° | 0.0° |
| C35 | C34 | C33 | H3 | 179.9° | 180.0° |
| C31 | C32 | C33 | C34 | 0.0° | 0.0° |
| C31 | C32 | C33 | H2 | 180.0° | 180.0° |
| C31 | C32 | C33 | H3 | 180.0° | 180.0° |
| C28 | N36 | C37 | H9 | 180.0° | 180.0° |
| C28 | N36 | C37 | O38 | 9.5° | 0.1° |
| C28 | N36 | C37 | O46 | 170.3° | 180.0° |
| N36 | C28 | C29 | H6 | 174.5° | 175.0° |
| N36 | C28 | C29 | H7 | 54.4° | 55.0° |
| C34 | C33 | C32 | H3 | 180.0° | 180.0° |
| C34 | C33 | C32 | H2 | 180.0° | 180.0° |
| C33 | C34 | C35 | H5 | 179.4° | 179.9° |
| C33 | C32 | C31 | H1 | 179.5° | 180.0° |
| C32 | C33 | C34 | H4 | 179.9° | 179.9° |
| O19 | C15 | N16 | C17 | 179.8° | 179.8° |
| O19 | C15 | C14 | H29 | 72.2° | 61.4° |
| C15 | N16 | C17 | H26 | 174.2° | 180.0° |
| N16 | C15 | C14 | H29 | 107.3° | 118.3° |
| N16 | C17 | C18 | H30 | 110.2° | 118.2° |
| N16 | C17 | C18 | H31 | 129.3° | 118.7° |
| N36 | C37 | O38 | O46 | 179.8° | 179.9° |
| C37 | N36 | C28 | H8 | 50.7° | 180.0° |
| N36 | C37 | O46 | H10 | 179.7° | 180.0° |
| O38 | C37 | N36 | H9 | 170.6° | 180.0° |
| O38 | C37 | O46 | H10 | 0.0° | 0.0° |
| O46 | C37 | N36 | H9 | 9.7° | 0.0° |
| H1 | C31 | C32 | H2 | 0.5° | 0.0° |
| H2 | C32 | C33 | H3 | 0.0° | 0.0° |
| H3 | C33 | C34 | H4 | 0.1° | 0.1° |
| H4 | C34 | C35 | H5 | 0.6° | 0.0° |
| H6 | C29 | C28 | H8 | 69.1° | 65.0° |
| H7 | C29 | C28 | H8 | 170.8° | 175.0° |
| H8 | C28 | N36 | H9 | 129.3° | 0.0° |
| H11 | N03 | C04 | H12 | 109.2° | 144.9° |
| H12 | C04 | C05 | H13 | 43.1° | 175.0° |
| H12 | C04 | C05 | H14 | 74.1° | 65.0° |
| H13 | C05 | C06 | H15 | 142.0° | 180.0° |
| H13 | C05 | C06 | H16 | 100.0° | 60.0° |
| H14 | C05 | C06 | H15 | 24.9° | 59.9° |
| H14 | C05 | C06 | H16 | 142.9° | 179.9° |
| H15 | C06 | C07 | H17 | 93.1° | 180.0° |
| H15 | C06 | C07 | H18 | 148.8° | 59.9° |
| H16 | C06 | C07 | H17 | 25.0° | 60.0° |
| H16 | C06 | C07 | H18 | 93.1° | 180.0° |
| H17 | C07 | C08 | H19 | 155.3° | 180.0° |
| H17 | C07 | C08 | H20 | 36.2° | 60.0° |
| H18 | C07 | C08 | H19 | 86.5° | 59.9° |
| H18 | C07 | C08 | H20 | 154.4° | 180.0° |
| H19 | C08 | N09 | H21 | 59.5° | 64.0° |
| H19 | C08 | N09 | H22 | 60.5° | 60.0° |
| H20 | C08 | N09 | H21 | 59.6° | 176.0° |
| H20 | C08 | N09 | H22 | 179.5° | 59.9° |
| H24 | C13 | C12 | H28 | 159.2° | 176.6° |
| H24 | C13 | C14 | H29 | 85.9° | 63.2° |
| H25 | C13 | C12 | H28 | 40.0° | 63.4° |
| H25 | C13 | C14 | H29 | 154.9° | 176.8° |
| H26 | C17 | C18 | H30 | 69.8° | 61.3° |
| H26 | C17 | C18 | H31 | 50.8° | 61.8° |
| H27 | C20 | C12 | H28 | 55.2° | 60.0° |
| H27 | C20 | O21 | H36 | 60.4° | 180.0° |
| H28 | C12 | N11 | H35 | 170.8° | 157.9° |
| H29 | C14 | C18 | H30 | 136.2° | 0.0° |
| H29 | C14 | C18 | H31 | 15.7° | 123.2° |
| H32 | C25 | H33 | H34 | 120.0° | 120.0° |
