EJF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C34 | C33 | sing | 1.54Å | 1.36Å | |
| C34 | N35 | sing | 1.47Å | 1.56Å | |
| C33 | C32 | sing | 1.55Å | 1.52Å | |
| N35 | C36 | sing | 1.35Å | 1.34Å | |
| C21 | C19 | sing | 1.53Å | 1.53Å | |
| C36 | C32 | sing | 1.51Å | 1.56Å | |
| C36 | O37 | doub | 1.21Å | 1.17Å | |
| C32 | C31 | sing | 1.53Å | 1.49Å | |
| O30 | C29 | doub | 1.21Å | 1.16Å | |
| C31 | C28 | sing | 1.53Å | 1.57Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C28 | C29 | sing | 1.51Å | 1.49Å | |
| C28 | N27 | sing | 1.47Å | 1.45Å | |
| C19 | C06 | sing | 1.53Å | 1.55Å | |
| O01 | C02 | doub | 1.21Å | 1.19Å | |
| C06 | C05 | sing | 1.51Å | 1.52Å | |
| C06 | N07 | sing | 1.47Å | 1.44Å | |
| C02 | N27 | sing | 1.35Å | 1.47Å | |
| C02 | C03 | sing | 1.51Å | 1.54Å | |
| C05 | O22 | doub | 1.21Å | 1.19Å | |
| C05 | N04 | sing | 1.35Å | 1.47Å | |
| N04 | C03 | sing | 1.47Å | 1.42Å | |
| C03 | C23 | sing | 1.53Å | 1.56Å | |
| C10 | C11 | sing | 1.42Å | 1.47Å | Aromatic |
| C10 | C09 | doub | 1.36Å | 1.38Å | Aromatic |
| C12 | C11 | doub | 1.40Å | 1.42Å | Aromatic |
| C12 | C13 | sing | 1.37Å | 1.42Å | Aromatic |
| N07 | C08 | sing | 1.35Å | 1.46Å | |
| C23 | C24 | sing | 1.53Å | 1.51Å | |
| C11 | C16 | sing | 1.41Å | 1.35Å | Aromatic |
| C13 | C14 | doub | 1.39Å | 1.37Å | Aromatic |
| C09 | C08 | sing | 1.47Å | 1.57Å | |
| C09 | N17 | sing | 1.38Å | 1.35Å | Aromatic |
| C08 | O18 | doub | 1.22Å | 1.18Å | |
| C16 | N17 | sing | 1.37Å | 1.40Å | Aromatic |
| C16 | C15 | doub | 1.39Å | 1.45Å | Aromatic |
| C24 | C25 | sing | 1.53Å | 1.54Å | |
| C24 | C26 | sing | 1.53Å | 1.52Å | |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C15 | H3 | sing | 1.08Å | 1.08Å | |
| C20 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C21 | H9 | sing | 1.09Å | 1.10Å | |
| C24 | H10 | sing | 1.09Å | 1.10Å | |
| C26 | H11 | sing | 1.09Å | 1.10Å | |
| C26 | H12 | sing | 1.09Å | 1.10Å | |
| C26 | H13 | sing | 1.09Å | 1.10Å | |
| C28 | H14 | sing | 1.09Å | 1.10Å | |
| C03 | H15 | sing | 1.09Å | 1.10Å | |
| C06 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.08Å | 1.08Å | |
| C14 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C29 | H25 | sing | 1.08Å | 1.08Å | |
| C31 | H26 | sing | 1.09Å | 1.10Å | |
| C31 | H27 | sing | 1.09Å | 1.10Å | |
| C32 | H28 | sing | 1.09Å | 1.10Å | |
| C33 | H29 | sing | 1.09Å | 1.10Å | |
| C33 | H30 | sing | 1.09Å | 1.10Å | |
| C34 | H31 | sing | 1.09Å | 1.10Å | |
| C34 | H32 | sing | 1.09Å | 1.10Å | |
| N04 | H33 | sing | 0.97Å | 1.00Å | |
| N07 | H34 | sing | 0.97Å | 1.00Å | |
| N17 | H35 | sing | 0.97Å | 1.00Å | |
| N27 | H36 | sing | 0.97Å | 1.00Å | |
| N35 | H37 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C33 | C34 | N35 | 107.0° | 105.5° |
| C34 | C33 | C32 | 106.4° | 101.8° |
| C34 | C33 | H29 | 110.2° | 111.0° |
| C34 | C33 | H30 | 110.3° | 111.0° |
| C33 | C34 | H31 | 110.1° | 110.3° |
| C33 | C34 | H32 | 110.1° | 110.3° |
| C34 | N35 | C36 | 109.4° | 111.3° |
| N35 | C34 | H31 | 110.1° | 110.2° |
| N35 | C34 | H32 | 110.1° | 110.2° |
| C34 | N35 | H37 | 125.3° | 124.4° |
| C33 | C32 | C36 | 104.2° | 104.3° |
| C33 | C32 | C31 | 110.2° | 110.5° |
| C33 | C32 | H28 | 111.6° | 110.5° |
| C32 | C33 | H29 | 110.3° | 111.0° |
| C32 | C33 | H30 | 110.2° | 110.9° |
| N35 | C36 | C32 | 106.4° | 110.0° |
| N35 | C36 | O37 | 127.4° | 125.1° |
| C36 | N35 | H37 | 125.3° | 124.3° |
| C21 | C19 | C20 | 111.1° | 109.5° |
| C21 | C19 | C06 | 112.9° | 109.5° |
| C19 | C21 | H7 | 109.5° | 109.5° |
| C19 | C21 | H8 | 109.4° | 109.5° |
| C19 | C21 | H9 | 109.5° | 109.5° |
| C21 | C19 | H19 | 106.9° | 109.4° |
| C32 | C36 | O37 | 126.2° | 124.9° |
| C36 | C32 | C31 | 107.5° | 110.5° |
| C36 | C32 | H28 | 110.9° | 110.5° |
| C32 | C31 | C28 | 115.5° | 109.5° |
| C32 | C31 | H26 | 108.0° | 109.5° |
| C32 | C31 | H27 | 107.9° | 109.5° |
| C31 | C32 | H28 | 112.0° | 110.5° |
| O30 | C29 | C28 | 119.7° | 120.0° |
| O30 | C29 | H25 | 120.1° | 120.0° |
| C31 | C28 | C29 | 109.9° | 109.5° |
| C31 | C28 | N27 | 110.8° | 109.5° |
| C31 | C28 | H14 | 109.0° | 109.5° |
| C28 | C31 | H26 | 107.9° | 109.4° |
| C28 | C31 | H27 | 107.9° | 109.5° |
| C20 | C19 | C06 | 112.0° | 109.5° |
| C19 | C20 | H4 | 109.5° | 109.5° |
| C19 | C20 | H5 | 109.5° | 109.5° |
| C19 | C20 | H6 | 109.4° | 109.4° |
| C20 | C19 | H19 | 106.9° | 109.5° |
| C29 | C28 | N27 | 106.6° | 109.5° |
| C29 | C28 | H14 | 110.0° | 109.5° |
| C28 | C29 | H25 | 120.2° | 120.0° |
| C28 | N27 | C02 | 117.5° | 120.0° |
| N27 | C28 | H14 | 110.6° | 109.4° |
| C28 | N27 | H36 | 121.2° | 120.0° |
| C19 | C06 | C05 | 107.1° | 109.5° |
| C19 | C06 | N07 | 118.3° | 109.4° |
| C19 | C06 | H16 | 113.2° | 109.5° |
| C06 | C19 | H19 | 106.6° | 109.5° |
| O01 | C02 | N27 | 119.2° | 120.0° |
| O01 | C02 | C03 | 120.0° | 120.0° |
| C05 | C06 | N07 | 85.8° | 109.5° |
| C06 | C05 | O22 | 121.3° | 120.0° |
| C06 | C05 | N04 | 119.8° | 120.0° |
| C05 | C06 | H16 | 113.7° | 109.5° |
| C06 | N07 | C08 | 145.6° | 120.0° |
| N07 | C06 | H16 | 115.2° | 109.4° |
| C06 | N07 | H34 | 107.2° | 120.0° |
| N27 | C02 | C03 | 120.8° | 120.0° |
| C02 | N27 | H36 | 121.2° | 120.0° |
| C02 | C03 | N04 | 107.2° | 109.4° |
| C02 | C03 | C23 | 109.1° | 109.5° |
| C02 | C03 | H15 | 110.6° | 109.5° |
| O22 | C05 | N04 | 118.6° | 120.0° |
| C05 | N04 | C03 | 118.4° | 120.0° |
| C05 | N04 | H33 | 120.8° | 120.0° |
| N04 | C03 | C23 | 107.2° | 109.5° |
| N04 | C03 | H15 | 112.4° | 109.5° |
| C03 | N04 | H33 | 120.8° | 120.0° |
| C03 | C23 | C24 | 114.3° | 109.5° |
| C23 | C03 | H15 | 110.3° | 109.5° |
| C03 | C23 | H20 | 108.2° | 109.5° |
| C03 | C23 | H21 | 108.3° | 109.5° |
| C11 | C10 | C09 | 107.0° | 107.7° |
| C10 | C11 | C12 | 134.3° | 133.4° |
| C10 | C11 | C16 | 106.5° | 107.0° |
| C11 | C10 | H1 | 126.5° | 126.1° |
| C10 | C09 | C08 | 132.1° | 125.4° |
| C10 | C09 | N17 | 108.2° | 109.1° |
| C09 | C10 | H1 | 126.5° | 126.1° |
| C11 | C12 | C13 | 120.5° | 119.8° |
| C12 | C11 | C16 | 119.2° | 119.7° |
| C11 | C12 | H17 | 119.8° | 120.1° |
| C12 | C13 | C14 | 119.9° | 120.6° |
| C12 | C13 | H2 | 120.1° | 119.8° |
| C13 | C12 | H17 | 119.7° | 120.0° |
| N07 | C08 | C09 | 136.5° | 120.0° |
| N07 | C08 | O18 | 111.2° | 120.0° |
| C08 | N07 | H34 | 107.2° | 120.0° |
| C23 | C24 | C25 | 111.7° | 109.4° |
| C23 | C24 | C26 | 114.2° | 109.4° |
| C23 | C24 | H10 | 106.1° | 109.4° |
| C24 | C23 | H20 | 108.3° | 109.4° |
| C24 | C23 | H21 | 108.3° | 109.5° |
| C11 | C16 | N17 | 108.1° | 107.3° |
| C11 | C16 | C15 | 120.2° | 119.4° |
| C13 | C14 | C15 | 119.8° | 120.7° |
| C14 | C13 | H2 | 120.0° | 119.7° |
| C13 | C14 | H18 | 120.1° | 119.7° |
| C08 | C09 | N17 | 119.7° | 125.4° |
| C09 | C08 | O18 | 112.3° | 120.0° |
| C09 | N17 | C16 | 110.2° | 108.8° |
| C09 | N17 | H35 | 124.9° | 125.6° |
| N17 | C16 | C15 | 131.8° | 133.2° |
| C16 | N17 | H35 | 124.9° | 125.6° |
| C16 | C15 | C14 | 120.4° | 119.8° |
| C16 | C15 | H3 | 119.8° | 120.1° |
| C25 | C24 | C26 | 112.3° | 109.5° |
| C25 | C24 | H10 | 105.8° | 109.5° |
| C24 | C25 | H22 | 109.5° | 109.5° |
| C24 | C25 | H23 | 109.5° | 109.5° |
| C24 | C25 | H24 | 109.5° | 109.5° |
| C26 | C24 | H10 | 106.1° | 109.5° |
| C24 | C26 | H11 | 109.5° | 109.5° |
| C24 | C26 | H12 | 109.5° | 109.5° |
| C24 | C26 | H13 | 109.5° | 109.5° |
| C14 | C15 | H3 | 119.8° | 120.1° |
| C15 | C14 | H18 | 120.1° | 119.7° |
| H4 | C20 | H5 | 109.5° | 109.5° |
| H4 | C20 | H6 | 109.5° | 109.5° |
| H5 | C20 | H6 | 109.5° | 109.5° |
| H7 | C21 | H8 | 109.5° | 109.4° |
| H7 | C21 | H9 | 109.5° | 109.5° |
| H8 | C21 | H9 | 109.5° | 109.5° |
| H11 | C26 | H12 | 109.4° | 109.5° |
| H11 | C26 | H13 | 109.5° | 109.4° |
| H12 | C26 | H13 | 109.5° | 109.5° |
| H20 | C23 | H21 | 109.5° | 109.5° |
| H22 | C25 | H23 | 109.5° | 109.5° |
| H22 | C25 | H24 | 109.5° | 109.4° |
| H23 | C25 | H24 | 109.5° | 109.5° |
| H26 | C31 | H27 | 109.4° | 109.5° |
| H29 | C33 | H30 | 109.5° | 110.9° |
| H31 | C34 | H32 | 109.5° | 110.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C33 | C34 | N35 | H31 | 119.6° | 119.0° |
| C33 | C34 | N35 | H32 | 119.6° | 119.0° |
| C34 | C33 | C32 | H29 | 119.5° | 118.2° |
| C34 | C33 | C32 | H30 | 119.5° | 118.1° |
| C33 | C34 | N35 | C36 | 17.7° | 17.1° |
| C34 | C33 | C32 | C36 | 24.6° | 24.8° |
| C34 | C33 | C32 | C31 | 139.7° | 143.5° |
| C34 | C33 | C32 | H28 | 95.2° | 94.0° |
| C34 | C33 | H29 | H30 | 121.4° | 123.8° |
| C33 | C34 | H31 | H32 | 121.1° | 122.0° |
| C33 | C34 | N35 | H37 | 162.3° | 163.0° |
| N35 | C34 | C33 | C32 | 25.6° | 25.4° |
| C34 | N35 | C36 | H37 | 180.0° | 179.9° |
| C34 | N35 | C36 | C32 | 1.4° | 0.6° |
| C34 | N35 | C36 | O37 | 179.7° | 179.5° |
| N35 | C34 | C33 | H29 | 145.1° | 92.7° |
| N35 | C34 | C33 | H30 | 94.0° | 143.5° |
| N35 | C34 | H31 | H32 | 121.1° | 121.9° |
| C33 | C32 | C36 | N35 | 13.3° | 16.1° |
| C33 | C32 | C36 | C31 | 116.9° | 118.7° |
| C33 | C32 | C36 | H28 | 120.3° | 118.7° |
| C33 | C32 | C36 | O37 | 165.6° | 163.9° |
| C33 | C32 | C31 | H28 | 124.9° | 122.5° |
| C33 | C32 | C31 | C28 | 77.2° | 65.4° |
| C33 | C32 | C31 | H26 | 43.7° | 174.6° |
| C33 | C32 | C31 | H27 | 161.9° | 54.6° |
| C32 | C33 | H29 | H30 | 121.4° | 123.7° |
| C32 | C33 | C34 | H31 | 145.2° | 144.4° |
| C32 | C33 | C34 | H32 | 94.1° | 93.6° |
| N35 | C36 | C32 | O37 | 178.9° | 180.0° |
| N35 | C36 | C32 | C31 | 130.2° | 134.8° |
| N35 | C36 | C32 | H28 | 107.0° | 102.6° |
| C36 | N35 | C34 | H31 | 137.3° | 136.1° |
| C36 | N35 | C34 | H32 | 101.9° | 101.9° |
| C21 | C19 | C20 | C06 | 127.3° | 120.0° |
| C21 | C19 | C20 | H19 | 116.3° | 120.0° |
| C21 | C19 | C06 | H19 | 117.1° | 120.0° |
| C21 | C19 | C06 | C05 | 58.5° | 62.3° |
| C21 | C19 | C06 | N07 | 153.0° | 177.7° |
| C21 | C19 | C20 | H4 | 180.0° | 60.0° |
| C21 | C19 | C20 | H5 | 60.0° | 180.0° |
| C21 | C19 | C20 | H6 | 60.0° | 60.0° |
| C19 | C21 | H7 | H8 | 120.0° | 120.0° |
| C19 | C21 | H7 | H9 | 120.0° | 120.0° |
| C19 | C21 | H8 | H9 | 120.0° | 120.0° |
| C21 | C19 | C06 | H16 | 67.7° | 57.8° |
| C36 | C32 | C31 | H28 | 122.1° | 122.6° |
| C36 | C32 | C31 | C28 | 169.8° | 179.7° |
| C36 | C32 | C31 | H26 | 69.3° | 59.7° |
| C36 | C32 | C31 | H27 | 48.9° | 60.3° |
| C36 | C32 | C33 | H29 | 144.1° | 93.4° |
| C36 | C32 | C33 | H30 | 94.9° | 142.9° |
| C32 | C36 | N35 | H37 | 178.6° | 179.5° |
| O37 | C36 | C32 | C31 | 48.6° | 45.1° |
| O37 | C36 | C32 | H28 | 74.2° | 77.4° |
| O37 | C36 | N35 | H37 | 0.3° | 0.4° |
| C32 | C31 | C28 | H26 | 120.9° | 120.0° |
| C32 | C31 | C28 | H27 | 120.9° | 120.0° |
| C32 | C31 | C28 | C29 | 179.8° | 176.0° |
| C32 | C31 | C28 | N27 | 62.6° | 64.0° |
| C32 | C31 | C28 | H14 | 59.3° | 56.0° |
| C32 | C31 | H26 | H27 | 117.2° | 120.0° |
| C31 | C32 | C33 | H29 | 100.8° | 25.3° |
| C31 | C32 | C33 | H30 | 20.2° | 98.4° |
| O30 | C29 | C28 | C31 | 105.5° | 120.0° |
| O30 | C29 | C28 | H25 | 180.0° | 180.0° |
| O30 | C29 | C28 | N27 | 134.4° | 0.0° |
| O30 | C29 | C28 | H14 | 14.5° | 120.0° |
| C31 | C28 | C29 | N27 | 120.1° | 120.0° |
| C31 | C28 | C29 | H14 | 120.0° | 120.0° |
| C31 | C28 | N27 | H14 | 120.9° | 120.0° |
| C31 | C28 | N27 | C02 | 125.7° | 151.6° |
| C31 | C28 | C29 | H25 | 74.5° | 60.0° |
| C28 | C31 | H26 | H27 | 117.2° | 120.0° |
| C28 | C31 | C32 | H28 | 47.7° | 57.1° |
| C31 | C28 | N27 | H36 | 54.3° | 28.4° |
| C20 | C19 | C06 | H19 | 116.6° | 120.0° |
| C20 | C19 | C06 | C05 | 175.2° | 57.7° |
| C20 | C19 | C06 | N07 | 80.6° | 62.3° |
| C19 | C20 | H4 | H5 | 120.0° | 120.0° |
| C19 | C20 | H4 | H6 | 120.0° | 119.9° |
| C19 | C20 | H5 | H6 | 120.0° | 120.0° |
| C20 | C19 | C21 | H7 | 180.0° | 174.4° |
| C20 | C19 | C21 | H8 | 60.0° | 65.6° |
| C20 | C19 | C21 | H9 | 60.0° | 54.4° |
| C20 | C19 | C06 | H16 | 58.7° | 177.8° |
| C29 | C28 | N27 | H14 | 119.5° | 120.0° |
| C29 | C28 | N27 | C02 | 114.7° | 88.4° |
| C29 | C28 | C31 | H26 | 58.9° | 64.1° |
| C29 | C28 | C31 | H27 | 59.3° | 55.9° |
| C29 | C28 | N27 | H36 | 65.3° | 91.7° |
| C28 | N27 | C02 | O01 | 0.7° | 3.6° |
| C28 | N27 | C02 | H36 | 180.0° | 180.0° |
| C28 | N27 | C02 | C03 | 179.5° | 176.4° |
| N27 | C28 | C29 | H25 | 45.6° | 180.0° |
| N27 | C28 | C31 | H26 | 176.5° | 56.0° |
| N27 | C28 | C31 | H27 | 58.3° | 176.0° |
| C19 | C06 | C05 | N07 | 118.4° | 120.0° |
| C19 | C06 | C05 | H16 | 125.9° | 120.0° |
| C19 | C06 | N07 | H16 | 138.5° | 120.0° |
| C19 | C06 | C05 | O22 | 38.9° | 103.1° |
| C19 | C06 | C05 | N04 | 147.4° | 77.0° |
| C19 | C06 | N07 | C08 | 64.7° | 85.0° |
| C06 | C19 | C20 | H4 | 52.7° | 180.0° |
| C06 | C19 | C20 | H5 | 172.7° | 60.0° |
| C06 | C19 | C20 | H6 | 67.3° | 60.0° |
| C06 | C19 | C21 | H7 | 53.2° | 54.4° |
| C06 | C19 | C21 | H8 | 66.8° | 174.3° |
| C06 | C19 | C21 | H9 | 173.2° | 65.6° |
| C19 | C06 | N07 | H34 | 115.3° | 95.0° |
| O01 | C02 | N27 | C03 | 178.8° | 180.0° |
| O01 | C02 | C03 | N04 | 47.5° | 20.5° |
| O01 | C02 | C03 | C23 | 68.3° | 99.5° |
| O01 | C02 | C03 | H15 | 170.3° | 140.5° |
| O01 | C02 | N27 | H36 | 179.3° | 176.4° |
| C05 | C06 | N07 | H16 | 114.3° | 120.0° |
| C06 | C05 | O22 | N04 | 173.7° | 180.0° |
| C06 | C05 | N04 | C03 | 178.9° | 173.9° |
| C05 | C06 | N07 | C08 | 171.9° | 155.0° |
| C05 | C06 | C19 | H19 | 58.6° | 177.8° |
| C06 | C05 | N04 | H33 | 1.2° | 6.0° |
| C05 | C06 | N07 | H34 | 8.1° | 24.9° |
| N07 | C06 | C05 | O22 | 79.4° | 16.9° |
| N07 | C06 | C05 | N04 | 94.2° | 163.1° |
| C06 | N07 | C08 | H34 | 180.0° | 179.9° |
| C06 | N07 | C08 | C09 | 0.9° | 180.0° |
| C06 | N07 | C08 | O18 | 179.4° | 0.0° |
| N07 | C06 | C19 | H19 | 36.0° | 57.8° |
| N27 | C02 | C03 | N04 | 131.3° | 159.5° |
| N27 | C02 | C03 | C23 | 113.0° | 80.5° |
| C02 | N27 | C28 | H14 | 4.8° | 31.6° |
| N27 | C02 | C03 | H15 | 8.5° | 39.5° |
| C02 | C03 | N04 | C05 | 70.0° | 151.8° |
| C02 | C03 | N04 | C23 | 117.0° | 120.0° |
| C02 | C03 | N04 | H15 | 121.7° | 120.0° |
| C02 | C03 | C23 | H15 | 121.6° | 120.0° |
| C02 | C03 | C23 | C24 | 143.0° | 62.7° |
| C02 | C03 | C23 | H20 | 96.3° | 57.3° |
| C02 | C03 | C23 | H21 | 22.2° | 177.3° |
| C02 | C03 | N04 | H33 | 110.0° | 28.3° |
| C03 | C02 | N27 | H36 | 0.5° | 3.6° |
| O22 | C05 | N04 | C03 | 5.0° | 6.1° |
| O22 | C05 | C06 | H16 | 164.8° | 136.9° |
| O22 | C05 | N04 | H33 | 175.0° | 174.0° |
| C05 | N04 | C03 | H33 | 180.0° | 179.9° |
| C05 | N04 | C03 | C23 | 173.0° | 88.2° |
| C05 | N04 | C03 | H15 | 51.7° | 31.8° |
| N04 | C05 | C06 | H16 | 21.6° | 43.1° |
| N04 | C03 | C23 | H15 | 122.6° | 120.0° |
| N04 | C03 | C23 | C24 | 101.3° | 177.3° |
| N04 | C03 | C23 | H20 | 19.4° | 62.7° |
| N04 | C03 | C23 | H21 | 138.0° | 57.3° |
| C03 | C23 | C24 | H20 | 120.7° | 120.0° |
| C03 | C23 | C24 | H21 | 120.7° | 120.0° |
| C03 | C23 | C24 | C25 | 151.8° | 65.5° |
| C03 | C23 | C24 | C26 | 23.0° | 174.5° |
| C03 | C23 | C24 | H10 | 93.4° | 54.5° |
| C03 | C23 | H20 | H21 | 117.8° | 120.0° |
| C23 | C03 | N04 | H33 | 7.0° | 91.7° |
| C11 | C10 | C09 | H1 | 180.0° | 179.8° |
| C10 | C11 | C12 | C16 | 179.7° | 179.9° |
| C10 | C11 | C12 | C13 | 179.9° | 180.0° |
| C11 | C10 | C09 | C08 | 179.3° | 180.0° |
| C11 | C10 | C09 | N17 | 0.1° | 0.0° |
| C10 | C11 | C16 | N17 | 0.0° | 0.0° |
| C10 | C11 | C16 | C15 | 179.9° | 180.0° |
| C10 | C11 | C12 | H17 | 0.1° | 0.1° |
| C09 | C10 | C11 | C12 | 179.7° | 180.0° |
| C10 | C09 | C08 | N07 | 15.2° | 180.0° |
| C09 | C10 | C11 | C16 | 0.0° | 0.0° |
| C10 | C09 | C08 | N17 | 179.2° | 180.0° |
| C10 | C09 | C08 | O18 | 165.1° | 0.0° |
| C10 | C09 | N17 | C16 | 0.1° | 0.0° |
| C10 | C09 | N17 | H35 | 179.9° | 179.9° |
| C11 | C12 | C13 | H17 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.1° | 0.0° |
| C12 | C11 | C16 | N17 | 179.8° | 180.0° |
| C12 | C11 | C16 | C15 | 0.3° | 0.0° |
| C12 | C11 | C10 | H1 | 0.3° | 0.2° |
| C11 | C12 | C13 | H2 | 179.9° | 180.0° |
| C13 | C12 | C11 | C16 | 0.2° | 0.0° |
| C12 | C13 | C14 | H2 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.3° | 0.0° |
| C12 | C13 | C14 | H18 | 179.7° | 180.0° |
| N07 | C08 | C09 | O18 | 179.7° | 180.0° |
| N07 | C08 | C09 | N17 | 165.6° | 0.0° |
| C08 | N07 | C06 | H16 | 73.8° | 34.9° |
| C23 | C24 | C25 | C26 | 129.7° | 120.0° |
| C23 | C24 | C25 | H10 | 115.0° | 120.0° |
| C23 | C24 | C26 | H10 | 116.5° | 120.0° |
| C23 | C24 | C26 | H11 | 180.0° | 60.0° |
| C23 | C24 | C26 | H12 | 60.0° | 60.0° |
| C23 | C24 | C26 | H13 | 60.0° | 179.9° |
| C24 | C23 | C03 | H15 | 21.3° | 57.3° |
| C24 | C23 | H20 | H21 | 117.8° | 120.0° |
| C23 | C24 | C25 | H22 | 180.0° | 63.8° |
| C23 | C24 | C25 | H23 | 60.0° | 176.2° |
| C23 | C24 | C25 | H24 | 60.0° | 56.1° |
| C11 | C16 | N17 | C09 | 0.1° | 0.0° |
| C11 | C16 | N17 | C15 | 179.8° | 180.0° |
| C11 | C16 | C15 | C14 | 0.1° | 0.0° |
| C16 | C11 | C10 | H1 | 180.0° | 179.8° |
| C11 | C16 | C15 | H3 | 179.9° | 180.0° |
| C16 | C11 | C12 | H17 | 179.8° | 180.0° |
| C11 | C16 | N17 | H35 | 179.9° | 180.0° |
| C13 | C14 | C15 | C16 | 0.2° | 0.0° |
| C13 | C14 | C15 | H18 | 180.0° | 180.0° |
| C13 | C14 | C15 | H3 | 179.8° | 180.0° |
| C14 | C13 | C12 | H17 | 179.9° | 179.9° |
| C08 | C09 | N17 | C16 | 179.5° | 180.0° |
| C08 | C09 | C10 | H1 | 0.7° | 0.2° |
| C09 | C08 | N07 | H34 | 179.1° | 0.1° |
| C08 | C09 | N17 | H35 | 0.5° | 0.0° |
| N17 | C09 | C08 | O18 | 14.1° | 180.0° |
| C09 | N17 | C16 | H35 | 180.0° | 179.9° |
| C09 | N17 | C16 | C15 | 179.9° | 180.0° |
| N17 | C09 | C10 | H1 | 179.9° | 179.8° |
| O18 | C08 | N07 | H34 | 0.6° | 180.0° |
| N17 | C16 | C15 | C14 | 180.0° | 180.0° |
| N17 | C16 | C15 | H3 | 0.0° | 0.0° |
| C16 | C15 | C14 | H3 | 180.0° | 180.0° |
| C16 | C15 | C14 | H18 | 179.8° | 180.0° |
| C15 | C16 | N17 | H35 | 0.1° | 0.1° |
| C25 | C24 | C26 | H10 | 115.1° | 120.1° |
| C25 | C24 | C26 | H11 | 51.6° | 59.9° |
| C25 | C24 | C26 | H12 | 171.6° | 179.9° |
| C25 | C24 | C26 | H13 | 68.4° | 60.0° |
| C25 | C24 | C23 | H20 | 31.1° | 174.5° |
| C25 | C24 | C23 | H21 | 87.5° | 54.5° |
| C24 | C25 | H22 | H23 | 120.0° | 120.0° |
| C24 | C25 | H22 | H24 | 120.0° | 120.0° |
| C24 | C25 | H23 | H24 | 120.0° | 120.0° |
| C24 | C26 | H11 | H12 | 120.0° | 120.0° |
| C24 | C26 | H11 | H13 | 120.0° | 119.9° |
| C24 | C26 | H12 | H13 | 120.0° | 120.0° |
| C26 | C24 | C23 | H20 | 97.6° | 54.5° |
| C26 | C24 | C23 | H21 | 143.8° | 65.5° |
| C26 | C24 | C25 | H22 | 50.3° | 56.1° |
| C26 | C24 | C25 | H23 | 69.7° | 63.9° |
| C26 | C24 | C25 | H24 | 170.3° | 176.1° |
| C15 | C14 | C13 | H2 | 179.7° | 180.0° |
| H2 | C13 | C12 | H17 | 0.1° | 0.0° |
| H2 | C13 | C14 | H18 | 0.3° | 0.0° |
| H3 | C15 | C14 | H18 | 0.2° | 0.0° |
| H4 | C20 | H5 | H6 | 120.0° | 120.0° |
| H4 | C20 | C19 | H19 | 63.7° | 60.0° |
| H5 | C20 | C19 | H19 | 56.3° | 60.0° |
| H6 | C20 | C19 | H19 | 176.3° | 180.0° |
| H7 | C21 | H8 | H9 | 120.0° | 120.0° |
| H7 | C21 | C19 | H19 | 63.7° | 65.7° |
| H8 | C21 | C19 | H19 | 176.3° | 54.3° |
| H9 | C21 | C19 | H19 | 56.3° | 174.4° |
| H10 | C24 | C26 | H11 | 63.5° | 180.0° |
| H10 | C24 | C26 | H12 | 56.5° | 60.0° |
| H10 | C24 | C26 | H13 | 176.5° | 60.1° |
| H10 | C24 | C23 | H20 | 145.9° | 65.4° |
| H10 | C24 | C23 | H21 | 27.3° | 174.5° |
| H10 | C24 | C25 | H22 | 65.0° | 176.2° |
| H10 | C24 | C25 | H23 | 175.0° | 56.2° |
| H10 | C24 | C25 | H24 | 55.0° | 63.9° |
| H11 | C26 | H12 | H13 | 120.0° | 120.0° |
| H14 | C28 | C29 | H25 | 165.6° | 60.0° |
| H14 | C28 | C31 | H26 | 61.7° | 175.9° |
| H14 | C28 | C31 | H27 | 179.9° | 64.1° |
| H14 | C28 | N27 | H36 | 175.2° | 148.4° |
| H15 | C03 | C23 | H20 | 142.0° | 177.3° |
| H15 | C03 | C23 | H21 | 99.4° | 62.7° |
| H15 | C03 | N04 | H33 | 128.3° | 148.3° |
| H16 | C06 | C19 | H19 | 175.3° | 62.2° |
| H16 | C06 | N07 | H34 | 106.2° | 145.0° |
| H22 | C25 | H23 | H24 | 120.0° | 120.0° |
| H26 | C31 | C32 | H28 | 168.6° | 62.9° |
| H27 | C31 | C32 | H28 | 73.2° | 177.1° |
| H28 | C32 | C33 | H29 | 24.3° | 147.8° |
| H28 | C32 | C33 | H30 | 145.3° | 24.1° |
| H29 | C33 | C34 | H31 | 95.3° | 26.3° |
| H29 | C33 | C34 | H32 | 25.5° | 148.3° |
| H30 | C33 | C34 | H31 | 25.7° | 97.5° |
| H30 | C33 | C34 | H32 | 146.4° | 24.5° |
| H31 | C34 | N35 | H37 | 42.7° | 44.0° |
| H32 | C34 | N35 | H37 | 78.1° | 78.0° |
