EJS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| F26 | C25 | sing | 1.35Å | 1.36Å | |
| C28 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C25 | C12 | doub | 1.40Å | 1.38Å | Aromatic |
| C34 | N35 | sing | 1.34Å | 1.32Å | Aromatic |
| C34 | C33 | doub | 1.38Å | 1.43Å | Aromatic |
| N35 | N36 | sing | 1.40Å | 1.34Å | Aromatic |
| O01 | C02 | doub | 1.21Å | 1.18Å | |
| C10 | C09 | sing | 1.51Å | 1.54Å | |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.40Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.48Å | 1.53Å | |
| C33 | C32 | sing | 1.41Å | 1.41Å | Aromatic |
| C33 | C37 | sing | 1.47Å | 1.37Å | Aromatic |
| O24 | C13 | doub | 1.22Å | 1.18Å | |
| C09 | N08 | sing | 1.46Å | 1.50Å | |
| C09 | C03 | sing | 1.53Å | 1.50Å | |
| N36 | C37 | doub | 1.32Å | 1.35Å | Aromatic |
| C32 | C31 | doub | 1.36Å | 1.39Å | Aromatic |
| C02 | C03 | sing | 1.51Å | 1.52Å | |
| C02 | N30 | sing | 1.35Å | 1.45Å | |
| C37 | C38 | sing | 1.41Å | 1.42Å | Aromatic |
| C13 | N14 | sing | 1.35Å | 1.46Å | |
| N08 | C07 | sing | 1.34Å | 1.49Å | |
| C03 | C04 | sing | 1.53Å | 1.47Å | |
| C31 | N30 | sing | 1.40Å | 1.45Å | |
| C31 | C39 | sing | 1.40Å | 1.40Å | Aromatic |
| C38 | C39 | doub | 1.36Å | 1.39Å | Aromatic |
| N14 | C15 | sing | 1.46Å | 1.46Å | |
| C07 | O29 | doub | 1.22Å | 1.18Å | |
| C07 | N06 | sing | 1.34Å | 1.48Å | |
| C21 | O20 | sing | 1.43Å | 1.40Å | |
| C04 | N06 | sing | 1.46Å | 1.43Å | |
| C04 | C05 | sing | 1.53Å | 1.53Å | |
| C15 | C16 | sing | 1.51Å | 1.53Å | |
| N17 | C16 | doub | 1.31Å | 1.34Å | Aromatic |
| N17 | C18 | sing | 1.34Å | 1.35Å | Aromatic |
| O20 | C19 | sing | 1.43Å | 1.40Å | |
| C16 | O23 | sing | 1.34Å | 1.32Å | Aromatic |
| C19 | C18 | sing | 1.51Å | 1.53Å | |
| C18 | N22 | doub | 1.30Å | 1.33Å | Aromatic |
| O23 | N22 | sing | 1.21Å | 1.33Å | Aromatic |
| C03 | H1 | sing | 1.09Å | 1.10Å | |
| C04 | H2 | sing | 1.09Å | 1.10Å | |
| C05 | H3 | sing | 1.09Å | 1.10Å | |
| C05 | H4 | sing | 1.09Å | 1.10Å | |
| C05 | H5 | sing | 1.09Å | 1.10Å | |
| N06 | H6 | sing | 0.97Å | 1.00Å | |
| N08 | H7 | sing | 0.97Å | 1.00Å | |
| C09 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| N14 | H10 | sing | 0.97Å | 1.00Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C21 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C27 | H18 | sing | 1.08Å | 1.08Å | |
| C28 | H19 | sing | 1.08Å | 1.08Å | |
| N30 | H20 | sing | 0.97Å | 1.00Å | |
| C32 | H21 | sing | 1.08Å | 1.08Å | |
| C34 | H22 | sing | 1.08Å | 1.08Å | |
| N35 | H23 | sing | 0.97Å | 1.00Å | |
| C38 | H24 | sing | 1.08Å | 1.08Å | |
| C39 | H25 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C28 | C27 | C25 | 119.9° | 120.1° |
| C27 | C28 | C10 | 119.8° | 120.3° |
| C28 | C27 | H18 | 120.0° | 120.0° |
| C27 | C28 | H19 | 120.1° | 119.8° |
| C27 | C25 | F26 | 119.8° | 120.1° |
| C27 | C25 | C12 | 120.2° | 119.9° |
| C25 | C27 | H18 | 120.1° | 120.0° |
| F26 | C25 | C12 | 120.0° | 120.1° |
| C28 | C10 | C09 | 120.9° | 119.9° |
| C28 | C10 | C11 | 120.2° | 120.2° |
| C10 | C28 | H19 | 120.1° | 119.9° |
| C25 | C12 | C11 | 119.8° | 119.6° |
| C25 | C12 | C13 | 120.7° | 120.2° |
| N35 | C34 | C33 | 108.2° | 107.9° |
| C34 | N35 | N36 | 108.3° | 110.0° |
| N35 | C34 | H22 | 125.9° | 126.1° |
| C34 | N35 | H23 | 125.8° | 125.0° |
| C34 | C33 | C32 | 134.9° | 134.7° |
| C34 | C33 | C37 | 105.3° | 106.5° |
| C33 | C34 | H22 | 125.9° | 126.1° |
| N35 | N36 | C37 | 110.5° | 108.9° |
| N36 | N35 | H23 | 125.9° | 125.0° |
| O01 | C02 | C03 | 120.9° | 120.0° |
| O01 | C02 | N30 | 123.3° | 120.0° |
| C09 | C10 | C11 | 118.9° | 119.9° |
| C10 | C09 | N08 | 105.6° | 109.5° |
| C10 | C09 | C03 | 106.7° | 109.5° |
| C10 | C09 | H8 | 108.2° | 109.6° |
| C10 | C11 | C12 | 120.1° | 119.9° |
| C10 | C11 | H9 | 119.9° | 120.1° |
| C11 | C12 | C13 | 119.5° | 120.1° |
| C12 | C11 | H9 | 120.0° | 120.1° |
| C12 | C13 | O24 | 120.0° | 120.0° |
| C12 | C13 | N14 | 119.9° | 120.1° |
| C32 | C33 | C37 | 119.8° | 118.8° |
| C33 | C32 | C31 | 120.3° | 119.5° |
| C33 | C32 | H21 | 119.9° | 120.3° |
| C33 | C37 | N36 | 107.6° | 106.8° |
| C33 | C37 | C38 | 120.1° | 118.7° |
| O24 | C13 | N14 | 120.0° | 119.9° |
| N08 | C09 | C03 | 118.4° | 109.1° |
| C09 | N08 | C07 | 117.7° | 121.3° |
| C09 | N08 | H7 | 121.2° | 119.3° |
| N08 | C09 | H8 | 108.7° | 109.5° |
| C09 | C03 | C02 | 120.0° | 109.7° |
| C09 | C03 | C04 | 120.8° | 108.6° |
| C09 | C03 | H1 | 97.8° | 109.8° |
| C03 | C09 | H8 | 108.8° | 109.5° |
| N36 | C37 | C38 | 132.3° | 134.5° |
| C32 | C31 | N30 | 119.6° | 119.2° |
| C32 | C31 | C39 | 120.0° | 121.6° |
| C31 | C32 | H21 | 119.9° | 120.2° |
| C03 | C02 | N30 | 115.8° | 120.0° |
| C02 | C03 | C04 | 113.7° | 109.6° |
| C02 | C03 | H1 | 97.7° | 109.6° |
| C02 | N30 | C31 | 124.1° | 120.0° |
| C02 | N30 | H20 | 117.9° | 120.0° |
| C37 | C38 | C39 | 120.0° | 119.7° |
| C37 | C38 | H24 | 120.0° | 120.2° |
| C13 | N14 | C15 | 119.7° | 120.0° |
| C13 | N14 | H10 | 120.2° | 120.0° |
| N08 | C07 | O29 | 119.4° | 118.7° |
| N08 | C07 | N06 | 121.5° | 122.6° |
| C07 | N08 | H7 | 121.1° | 119.4° |
| C03 | C04 | N06 | 119.8° | 109.1° |
| C03 | C04 | C05 | 119.9° | 109.5° |
| C04 | C03 | H1 | 97.9° | 109.6° |
| C03 | C04 | H2 | 94.9° | 109.5° |
| N30 | C31 | C39 | 120.2° | 119.2° |
| C31 | N30 | H20 | 117.9° | 120.0° |
| C31 | C39 | C38 | 119.8° | 121.8° |
| C31 | C39 | H25 | 120.1° | 119.1° |
| C39 | C38 | H24 | 120.0° | 120.2° |
| C38 | C39 | H25 | 120.1° | 119.1° |
| N14 | C15 | C16 | 111.2° | 109.5° |
| C15 | N14 | H10 | 120.2° | 120.0° |
| N14 | C15 | H11 | 109.0° | 109.5° |
| N14 | C15 | H12 | 109.0° | 109.5° |
| O29 | C07 | N06 | 119.1° | 118.7° |
| C07 | N06 | C04 | 120.2° | 121.4° |
| C07 | N06 | H6 | 119.9° | 119.4° |
| C21 | O20 | C19 | 114.1° | 114.0° |
| O20 | C21 | H15 | 109.5° | 109.5° |
| O20 | C21 | H16 | 109.5° | 109.5° |
| O20 | C21 | H17 | 109.5° | 109.5° |
| N06 | C04 | C05 | 118.2° | 109.5° |
| N06 | C04 | H2 | 95.0° | 109.5° |
| C04 | N06 | H6 | 119.9° | 119.3° |
| C05 | C04 | H2 | 94.7° | 109.6° |
| C04 | C05 | H3 | 109.5° | 109.4° |
| C04 | C05 | H4 | 109.5° | 109.5° |
| C04 | C05 | H5 | 109.4° | 109.5° |
| C15 | C16 | N17 | 126.5° | 126.5° |
| C15 | C16 | O23 | 125.7° | 126.6° |
| C16 | C15 | H11 | 109.1° | 109.5° |
| C16 | C15 | H12 | 109.1° | 109.4° |
| C16 | N17 | C18 | 107.5° | 105.6° |
| N17 | C16 | O23 | 107.8° | 106.9° |
| N17 | C18 | C19 | 126.7° | 126.3° |
| N17 | C18 | N22 | 107.8° | 107.4° |
| O20 | C19 | C18 | 107.7° | 109.5° |
| O20 | C19 | H13 | 109.9° | 109.5° |
| O20 | C19 | H14 | 109.9° | 109.5° |
| C16 | O23 | N22 | 109.0° | 109.8° |
| C19 | C18 | N22 | 125.5° | 126.3° |
| C18 | C19 | H13 | 109.9° | 109.4° |
| C18 | C19 | H14 | 109.9° | 109.4° |
| C18 | N22 | O23 | 107.8° | 110.2° |
| H3 | C05 | H4 | 109.4° | 109.5° |
| H3 | C05 | H5 | 109.5° | 109.4° |
| H4 | C05 | H5 | 109.5° | 109.5° |
| H11 | C15 | H12 | 109.4° | 109.5° |
| H13 | C19 | H14 | 109.5° | 109.5° |
| H15 | C21 | H16 | 109.5° | 109.5° |
| H15 | C21 | H17 | 109.5° | 109.4° |
| H16 | C21 | H17 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C28 | C27 | C25 | H18 | 180.0° | 179.5° |
| C28 | C27 | C25 | F26 | 180.0° | 179.7° |
| C27 | C28 | C10 | H19 | 180.0° | 179.4° |
| C28 | C27 | C25 | C12 | 0.1° | 0.3° |
| C27 | C28 | C10 | C09 | 179.9° | 179.7° |
| C27 | C28 | C10 | C11 | 0.2° | 0.6° |
| C27 | C25 | F26 | C12 | 179.9° | 180.0° |
| C25 | C27 | C28 | C10 | 0.1° | 0.6° |
| C27 | C25 | C12 | C11 | 0.2° | 0.0° |
| C27 | C25 | C12 | C13 | 179.8° | 180.0° |
| C25 | C27 | C28 | H19 | 179.9° | 179.9° |
| F26 | C25 | C12 | C11 | 179.9° | 180.0° |
| F26 | C25 | C12 | C13 | 0.3° | 0.0° |
| F26 | C25 | C27 | H18 | 0.0° | 0.2° |
| C28 | C10 | C09 | C11 | 179.9° | 179.7° |
| C28 | C10 | C11 | C12 | 0.1° | 0.3° |
| C28 | C10 | C09 | N08 | 149.0° | 39.7° |
| C28 | C10 | C09 | C03 | 84.1° | 80.0° |
| C28 | C10 | C09 | H8 | 32.8° | 159.9° |
| C28 | C10 | C11 | H9 | 179.9° | 179.7° |
| C10 | C28 | C27 | H18 | 179.9° | 179.9° |
| C25 | C12 | C11 | C10 | 0.1° | 0.0° |
| C25 | C12 | C11 | C13 | 179.6° | 180.0° |
| C25 | C12 | C13 | O24 | 18.2° | 0.0° |
| C25 | C12 | C13 | N14 | 162.1° | 180.0° |
| C25 | C12 | C11 | H9 | 179.9° | 180.0° |
| C12 | C25 | C27 | H18 | 179.9° | 179.8° |
| N35 | C34 | C33 | H22 | 180.0° | 180.0° |
| C34 | N35 | N36 | H23 | 180.0° | 179.9° |
| N35 | C34 | C33 | C32 | 179.9° | 180.0° |
| N35 | C34 | C33 | C37 | 0.1° | 0.0° |
| C34 | N35 | N36 | C37 | 0.1° | 0.0° |
| C33 | C34 | N35 | N36 | 0.1° | 0.0° |
| C34 | C33 | C32 | C37 | 179.8° | 180.0° |
| C34 | C33 | C37 | N36 | 0.0° | 0.0° |
| C34 | C33 | C32 | C31 | 178.7° | 180.0° |
| C34 | C33 | C37 | C38 | 180.0° | 179.9° |
| C34 | C33 | C32 | H21 | 1.3° | 0.1° |
| C33 | C34 | N35 | H23 | 179.9° | 179.9° |
| N35 | N36 | C37 | C33 | 0.1° | 0.0° |
| N35 | N36 | C37 | C38 | 180.0° | 179.9° |
| N36 | N35 | C34 | H22 | 179.9° | 180.0° |
| O01 | C02 | C03 | C09 | 31.1° | 33.6° |
| O01 | C02 | C03 | N30 | 178.7° | 179.8° |
| O01 | C02 | C03 | C04 | 123.1° | 85.5° |
| O01 | C02 | N30 | C31 | 2.1° | 5.3° |
| O01 | C02 | C03 | H1 | 134.8° | 154.2° |
| O01 | C02 | N30 | H20 | 177.9° | 174.6° |
| C09 | C10 | C11 | C12 | 180.0° | 180.0° |
| C10 | C09 | N08 | C03 | 119.4° | 119.9° |
| C10 | C09 | N08 | H8 | 115.9° | 120.2° |
| C10 | C09 | C03 | H8 | 116.5° | 120.2° |
| C10 | C09 | C03 | C02 | 74.6° | 175.9° |
| C10 | C09 | N08 | C07 | 126.0° | 90.9° |
| C10 | C09 | C03 | C04 | 133.1° | 64.4° |
| C10 | C09 | C03 | H1 | 29.0° | 55.4° |
| C10 | C09 | N08 | H7 | 54.0° | 89.3° |
| C09 | C10 | C11 | H9 | 0.0° | 0.0° |
| C09 | C10 | C28 | H19 | 0.1° | 0.3° |
| C10 | C11 | C12 | H9 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 179.7° | 180.0° |
| C11 | C10 | C09 | N08 | 31.1° | 140.0° |
| C11 | C10 | C09 | C03 | 95.8° | 100.3° |
| C11 | C10 | C09 | H8 | 147.3° | 19.8° |
| C11 | C10 | C28 | H19 | 179.8° | 180.0° |
| C11 | C12 | C13 | O24 | 161.4° | 180.0° |
| C11 | C12 | C13 | N14 | 18.3° | 0.0° |
| C12 | C13 | O24 | N14 | 179.8° | 180.0° |
| C12 | C13 | N14 | C15 | 179.6° | 180.0° |
| C13 | C12 | C11 | H9 | 0.3° | 0.0° |
| C12 | C13 | N14 | H10 | 0.4° | 0.1° |
| C32 | C33 | C37 | N36 | 179.9° | 180.0° |
| C33 | C32 | C31 | H21 | 180.0° | 180.0° |
| C32 | C33 | C37 | C38 | 0.1° | 0.0° |
| C33 | C32 | C31 | N30 | 177.8° | 180.0° |
| C33 | C32 | C31 | C39 | 2.7° | 0.3° |
| C32 | C33 | C34 | H22 | 0.1° | 0.0° |
| C33 | C37 | N36 | C38 | 180.0° | 179.9° |
| C37 | C33 | C32 | C31 | 1.5° | 0.0° |
| C33 | C37 | C38 | C39 | 0.0° | 0.3° |
| C37 | C33 | C32 | H21 | 178.5° | 180.0° |
| C37 | C33 | C34 | H22 | 179.9° | 180.0° |
| C33 | C37 | C38 | H24 | 180.0° | 179.9° |
| O24 | C13 | N14 | C15 | 0.1° | 0.0° |
| O24 | C13 | N14 | H10 | 179.8° | 180.0° |
| N08 | C09 | C03 | H8 | 124.7° | 119.9° |
| N08 | C09 | C03 | C02 | 166.5° | 64.2° |
| C09 | N08 | C07 | H7 | 180.0° | 179.9° |
| N08 | C09 | C03 | C04 | 14.2° | 55.5° |
| C09 | N08 | C07 | O29 | 179.8° | 179.4° |
| C09 | N08 | C07 | N06 | 0.4° | 0.4° |
| N08 | C09 | C03 | H1 | 89.9° | 175.3° |
| C09 | C03 | C02 | C04 | 154.2° | 119.1° |
| C09 | C03 | C02 | H1 | 103.7° | 120.6° |
| C09 | C03 | C02 | N30 | 150.2° | 146.6° |
| C03 | C09 | N08 | C07 | 6.5° | 29.0° |
| C09 | C03 | C04 | H1 | 104.1° | 119.9° |
| C09 | C03 | C04 | N06 | 14.8° | 55.5° |
| C09 | C03 | C04 | C05 | 148.4° | 175.4° |
| C09 | C03 | C04 | H2 | 113.4° | 64.4° |
| C03 | C09 | N08 | H7 | 173.5° | 150.8° |
| N36 | C37 | C38 | C39 | 179.9° | 179.7° |
| C37 | N36 | N35 | H23 | 179.9° | 179.9° |
| N36 | C37 | C38 | H24 | 0.0° | 0.0° |
| C32 | C31 | N30 | C02 | 25.6° | 143.9° |
| C32 | C31 | N30 | C39 | 175.1° | 179.7° |
| C32 | C31 | C39 | C38 | 2.6° | 0.6° |
| C32 | C31 | N30 | H20 | 154.5° | 36.1° |
| C32 | C31 | C39 | H25 | 177.3° | 179.7° |
| C02 | C03 | C04 | H1 | 102.0° | 120.3° |
| C03 | C02 | N30 | C31 | 176.5° | 174.9° |
| C02 | C03 | C04 | N06 | 168.7° | 64.3° |
| C02 | C03 | C04 | C05 | 5.5° | 55.6° |
| C02 | C03 | C04 | H2 | 92.7° | 175.8° |
| C02 | C03 | C09 | H8 | 41.8° | 55.6° |
| C03 | C02 | N30 | H20 | 3.5° | 5.2° |
| N30 | C02 | C03 | C04 | 55.6° | 94.3° |
| C02 | N30 | C31 | H20 | 180.0° | 179.9° |
| C02 | N30 | C31 | C39 | 159.4° | 36.3° |
| N30 | C02 | C03 | H1 | 46.6° | 26.0° |
| C37 | C38 | C39 | C31 | 1.3° | 0.6° |
| C37 | C38 | C39 | H24 | 180.0° | 179.7° |
| C37 | C38 | C39 | H25 | 178.7° | 179.7° |
| C13 | N14 | C15 | H10 | 180.0° | 179.9° |
| C13 | N14 | C15 | C16 | 71.6° | 180.0° |
| C13 | N14 | C15 | H11 | 48.7° | 60.1° |
| C13 | N14 | C15 | H12 | 168.1° | 60.0° |
| N08 | C07 | O29 | N06 | 179.8° | 179.9° |
| N08 | C07 | N06 | C04 | 0.1° | 0.4° |
| N08 | C07 | N06 | H6 | 179.9° | 179.5° |
| C07 | N08 | C09 | H8 | 118.2° | 148.9° |
| C03 | C04 | N06 | C07 | 7.5° | 29.0° |
| C03 | C04 | N06 | C05 | 163.5° | 119.9° |
| C03 | C04 | N06 | H2 | 98.5° | 119.9° |
| C03 | C04 | C05 | H2 | 98.3° | 120.2° |
| C03 | C04 | C05 | H3 | 180.0° | 61.2° |
| C03 | C04 | C05 | H4 | 60.0° | 178.8° |
| C03 | C04 | C05 | H5 | 60.0° | 58.7° |
| C03 | C04 | N06 | H6 | 172.6° | 150.9° |
| C04 | C03 | C09 | H8 | 110.5° | 175.4° |
| N30 | C31 | C39 | C38 | 177.7° | 179.7° |
| N30 | C31 | C32 | H21 | 2.2° | 0.0° |
| N30 | C31 | C39 | H25 | 2.3° | 0.0° |
| C31 | C39 | C38 | H25 | 180.0° | 179.7° |
| C39 | C31 | N30 | H20 | 20.6° | 143.6° |
| C39 | C31 | C32 | H21 | 177.3° | 179.7° |
| C31 | C39 | C38 | H24 | 178.8° | 179.6° |
| N14 | C15 | C16 | H11 | 120.3° | 120.0° |
| N14 | C15 | C16 | H12 | 120.3° | 120.0° |
| N14 | C15 | C16 | N17 | 19.9° | 90.3° |
| N14 | C15 | C16 | O23 | 160.5° | 90.0° |
| N14 | C15 | H11 | H12 | 119.2° | 120.0° |
| O29 | C07 | N06 | C04 | 179.9° | 179.4° |
| O29 | C07 | N06 | H6 | 0.1° | 0.7° |
| O29 | C07 | N08 | H7 | 0.2° | 0.7° |
| C07 | N06 | C04 | H6 | 180.0° | 179.9° |
| C07 | N06 | C04 | C05 | 156.0° | 148.9° |
| C07 | N06 | C04 | H2 | 106.0° | 90.9° |
| N06 | C07 | N08 | H7 | 179.6° | 179.4° |
| C21 | O20 | C19 | C18 | 151.7° | 180.0° |
| C21 | O20 | C19 | H13 | 32.1° | 60.0° |
| C21 | O20 | C19 | H14 | 88.5° | 60.0° |
| O20 | C21 | H15 | H16 | 120.0° | 120.1° |
| O20 | C21 | H15 | H17 | 120.0° | 120.0° |
| O20 | C21 | H16 | H17 | 120.0° | 120.0° |
| N06 | C04 | C05 | H2 | 98.2° | 120.2° |
| N06 | C04 | C03 | H1 | 89.3° | 175.4° |
| N06 | C04 | C05 | H3 | 16.5° | 179.2° |
| N06 | C04 | C05 | H4 | 103.4° | 59.2° |
| N06 | C04 | C05 | H5 | 136.5° | 60.9° |
| C05 | C04 | C03 | H1 | 107.5° | 64.7° |
| C04 | C05 | H3 | H4 | 120.0° | 120.0° |
| C04 | C05 | H3 | H5 | 120.0° | 120.0° |
| C04 | C05 | H4 | H5 | 120.0° | 120.1° |
| C05 | C04 | N06 | H6 | 24.0° | 31.0° |
| C15 | C16 | N17 | O23 | 179.7° | 179.8° |
| C15 | C16 | N17 | C18 | 180.0° | 180.0° |
| C15 | C16 | O23 | N22 | 179.9° | 179.8° |
| C16 | C15 | N14 | H10 | 108.4° | 0.0° |
| C16 | C15 | H11 | H12 | 119.2° | 120.0° |
| C16 | N17 | C18 | C19 | 179.9° | 179.9° |
| C16 | N17 | C18 | N22 | 0.3° | 0.0° |
| N17 | C16 | O23 | N22 | 0.2° | 0.4° |
| N17 | C16 | C15 | H11 | 100.4° | 29.7° |
| N17 | C16 | C15 | H12 | 140.1° | 149.7° |
| N17 | C18 | C19 | O20 | 121.7° | 90.0° |
| C18 | N17 | C16 | O23 | 0.4° | 0.2° |
| N17 | C18 | C19 | N22 | 179.7° | 179.9° |
| N17 | C18 | N22 | O23 | 0.2° | 0.3° |
| N17 | C18 | C19 | H13 | 2.0° | 150.0° |
| N17 | C18 | C19 | H14 | 118.6° | 30.1° |
| O20 | C19 | C18 | H13 | 119.7° | 120.1° |
| O20 | C19 | C18 | H14 | 119.7° | 120.0° |
| O20 | C19 | C18 | N22 | 58.0° | 90.0° |
| O20 | C19 | H13 | H14 | 120.8° | 120.1° |
| C19 | O20 | C21 | H15 | 180.0° | 60.0° |
| C19 | O20 | C21 | H16 | 60.0° | 179.9° |
| C19 | O20 | C21 | H17 | 60.0° | 60.0° |
| C16 | O23 | N22 | C18 | 0.0° | 0.4° |
| O23 | C16 | C15 | H11 | 79.2° | 150.0° |
| O23 | C16 | C15 | H12 | 40.2° | 30.0° |
| C19 | C18 | N22 | O23 | 179.9° | 179.7° |
| C18 | C19 | H13 | H14 | 120.8° | 119.9° |
| N22 | C18 | C19 | H13 | 177.7° | 30.1° |
| N22 | C18 | C19 | H14 | 61.8° | 150.0° |
| H1 | C03 | C04 | H2 | 9.3° | 55.5° |
| H1 | C03 | C09 | H8 | 145.4° | 64.8° |
| H2 | C04 | C05 | H3 | 81.7° | 59.0° |
| H2 | C04 | C05 | H4 | 158.4° | 61.0° |
| H2 | C04 | C05 | H5 | 38.3° | 178.9° |
| H2 | C04 | N06 | H6 | 74.1° | 89.2° |
| H3 | C05 | H4 | H5 | 120.0° | 119.9° |
| H7 | N08 | C09 | H8 | 61.8° | 31.0° |
| H10 | N14 | C15 | H11 | 131.3° | 120.0° |
| H10 | N14 | C15 | H12 | 11.9° | 119.9° |
| H15 | C21 | H16 | H17 | 120.0° | 120.0° |
| H18 | C27 | C28 | H19 | 0.1° | 0.6° |
| H22 | C34 | N35 | H23 | 0.1° | 0.1° |
| H24 | C38 | C39 | H25 | 1.3° | 0.0° |
