A1JSJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O08 | C07 | doub | 1.22Å | 1.19Å | |
| C17 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | C16 | sing | 1.39Å | 1.41Å | Aromatic |
| C18 | N19 | sing | 1.31Å | 1.33Å | Aromatic |
| C07 | C09 | sing | 1.48Å | 1.55Å | |
| C07 | N05 | sing | 1.35Å | 1.47Å | |
| C11 | C10 | sing | 1.51Å | 1.55Å | |
| C09 | C10 | doub | 1.40Å | 1.39Å | Aromatic |
| C09 | C15 | sing | 1.41Å | 1.43Å | Aromatic |
| C10 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C06 | N05 | sing | 1.47Å | 1.58Å | |
| C06 | C02 | sing | 1.55Å | 1.36Å | |
| N05 | C04 | sing | 1.47Å | 1.58Å | |
| N19 | C20 | doub | 1.35Å | 1.36Å | Aromatic |
| C16 | C15 | sing | 1.48Å | 1.43Å | |
| C16 | C21 | doub | 1.41Å | 1.41Å | Aromatic |
| C15 | N14 | doub | 1.33Å | 1.34Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.41Å | Aromatic |
| F38 | C36 | sing | 1.40Å | 1.36Å | |
| N14 | C13 | sing | 1.32Å | 1.34Å | Aromatic |
| C13 | C36 | sing | 1.51Å | 1.53Å | |
| C02 | N01 | sing | 1.47Å | 1.47Å | |
| C02 | C03 | sing | 1.55Å | 1.65Å | |
| C20 | C21 | sing | 1.40Å | 1.39Å | Aromatic |
| C20 | C24 | sing | 1.45Å | 1.44Å | Aromatic |
| C21 | S22 | sing | 1.76Å | 1.77Å | Aromatic |
| F37 | C36 | sing | 1.40Å | 1.36Å | |
| C36 | F39 | sing | 1.40Å | 1.37Å | |
| C04 | C03 | sing | 1.54Å | 1.35Å | |
| C24 | C23 | doub | 1.32Å | 1.40Å | Aromatic |
| S22 | C23 | sing | 1.75Å | 1.75Å | Aromatic |
| C23 | C25 | sing | 1.51Å | 1.54Å | |
| C25 | N26 | sing | 1.47Å | 1.47Å | |
| C34 | C33 | sing | 1.53Å | 1.54Å | |
| N26 | C27 | sing | 1.34Å | 1.52Å | |
| N26 | C31 | sing | 1.34Å | 1.53Å | |
| O28 | C27 | doub | 1.21Å | 1.18Å | |
| C27 | C29 | sing | 1.51Å | 1.16Å | |
| O32 | C31 | doub | 1.21Å | 1.18Å | |
| C31 | C30 | sing | 1.51Å | 1.16Å | |
| C29 | C33 | sing | 1.53Å | 1.65Å | |
| C29 | C30 | sing | 1.54Å | 1.68Å | |
| C33 | C30 | sing | 1.53Å | 1.66Å | |
| C33 | C35 | sing | 1.53Å | 1.55Å | |
| C02 | H1 | sing | 1.09Å | 1.10Å | |
| C03 | H2 | sing | 1.09Å | 1.10Å | |
| C03 | H3 | sing | 1.09Å | 1.10Å | |
| C04 | H4 | sing | 1.09Å | 1.10Å | |
| C04 | H5 | sing | 1.09Å | 1.10Å | |
| C06 | H6 | sing | 1.09Å | 1.10Å | |
| C06 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.08Å | 1.08Å | |
| C17 | H12 | sing | 1.08Å | 1.08Å | |
| C18 | H13 | sing | 1.08Å | 1.08Å | |
| C24 | H14 | sing | 1.08Å | 1.08Å | |
| C25 | H15 | sing | 1.09Å | 1.10Å | |
| C25 | H16 | sing | 1.09Å | 1.10Å | |
| C29 | H17 | sing | 1.09Å | 1.10Å | |
| C30 | H18 | sing | 1.09Å | 1.10Å | |
| C34 | H19 | sing | 1.09Å | 1.10Å | |
| C34 | H20 | sing | 1.09Å | 1.10Å | |
| C34 | H21 | sing | 1.09Å | 1.10Å | |
| C35 | H22 | sing | 1.09Å | 1.10Å | |
| C35 | H23 | sing | 1.09Å | 1.10Å | |
| C35 | H24 | sing | 1.09Å | 1.10Å | |
| N01 | H25 | sing | 1.01Å | 1.00Å | |
| N01 | H26 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O08 | C07 | C09 | 121.4° | 120.0° |
| O08 | C07 | N05 | 123.3° | 120.0° |
| C18 | C17 | C16 | 120.2° | 119.1° |
| C17 | C18 | N19 | 120.3° | 121.5° |
| C18 | C17 | H12 | 119.9° | 120.5° |
| C17 | C18 | H13 | 119.9° | 119.3° |
| C17 | C16 | C15 | 123.1° | 120.9° |
| C17 | C16 | C21 | 117.2° | 118.4° |
| C16 | C17 | H12 | 119.9° | 120.5° |
| C18 | N19 | C20 | 121.6° | 122.5° |
| N19 | C18 | H13 | 119.9° | 119.2° |
| C09 | C07 | N05 | 115.3° | 120.0° |
| C07 | C09 | C10 | 117.9° | 120.6° |
| C07 | C09 | C15 | 121.9° | 120.6° |
| C07 | N05 | C06 | 130.6° | 125.6° |
| C07 | N05 | C04 | 123.6° | 125.7° |
| C11 | C10 | C09 | 120.0° | 120.8° |
| C11 | C10 | C12 | 121.5° | 120.8° |
| C10 | C11 | H8 | 109.5° | 109.5° |
| C10 | C11 | H9 | 109.5° | 109.4° |
| C10 | C11 | H10 | 109.4° | 109.5° |
| C10 | C09 | C15 | 120.2° | 118.8° |
| C09 | C10 | C12 | 118.5° | 118.4° |
| C09 | C15 | C16 | 120.9° | 119.8° |
| C09 | C15 | N14 | 119.5° | 120.3° |
| C10 | C12 | C13 | 118.4° | 119.5° |
| C10 | C12 | H11 | 120.8° | 120.3° |
| N05 | C06 | C02 | 103.8° | 104.8° |
| C06 | N05 | C04 | 105.7° | 108.7° |
| N05 | C06 | H6 | 110.9° | 110.4° |
| N05 | C06 | H7 | 110.9° | 110.4° |
| C06 | C02 | N01 | 111.1° | 111.0° |
| C06 | C02 | C03 | 105.2° | 101.6° |
| C06 | C02 | H1 | 112.4° | 111.0° |
| C02 | C06 | H6 | 110.9° | 110.4° |
| C02 | C06 | H7 | 110.9° | 110.4° |
| N05 | C04 | C03 | 105.9° | 107.3° |
| N05 | C04 | H4 | 110.4° | 109.9° |
| N05 | C04 | H5 | 110.3° | 110.1° |
| N19 | C20 | C21 | 120.8° | 119.3° |
| N19 | C20 | C24 | 123.5° | 129.0° |
| C15 | C16 | C21 | 119.7° | 120.8° |
| C16 | C15 | N14 | 119.5° | 119.9° |
| C16 | C21 | C20 | 119.8° | 119.3° |
| C16 | C21 | S22 | 134.0° | 130.9° |
| C15 | N14 | C13 | 121.4° | 121.7° |
| C12 | C13 | N14 | 121.8° | 121.3° |
| C12 | C13 | C36 | 118.8° | 119.4° |
| C13 | C12 | H11 | 120.8° | 120.2° |
| F38 | C36 | C13 | 110.6° | 109.5° |
| F38 | C36 | F37 | 107.7° | 109.4° |
| F38 | C36 | F39 | 111.6° | 109.5° |
| N14 | C13 | C36 | 119.4° | 119.4° |
| C13 | C36 | F37 | 109.4° | 109.5° |
| C13 | C36 | F39 | 108.8° | 109.5° |
| N01 | C02 | C03 | 109.1° | 111.0° |
| N01 | C02 | H1 | 110.6° | 110.9° |
| C02 | N01 | H25 | 109.5° | 111.0° |
| C02 | N01 | H26 | 109.5° | 111.0° |
| C02 | C03 | C04 | 105.4° | 102.9° |
| C03 | C02 | H1 | 108.3° | 111.0° |
| C02 | C03 | H2 | 110.5° | 110.7° |
| C02 | C03 | H3 | 110.5° | 110.7° |
| C21 | C20 | C24 | 115.6° | 111.7° |
| C20 | C21 | S22 | 106.2° | 109.8° |
| C20 | C24 | C23 | 114.7° | 115.0° |
| C20 | C24 | H14 | 122.6° | 122.5° |
| C21 | S22 | C23 | 96.3° | 92.1° |
| F37 | C36 | F39 | 108.8° | 109.5° |
| C04 | C03 | H2 | 110.5° | 110.7° |
| C04 | C03 | H3 | 110.5° | 110.9° |
| C03 | C04 | H4 | 110.4° | 109.9° |
| C03 | C04 | H5 | 110.4° | 109.9° |
| C24 | C23 | S22 | 107.1° | 111.4° |
| C24 | C23 | C25 | 126.7° | 124.3° |
| C23 | C24 | H14 | 122.7° | 122.5° |
| S22 | C23 | C25 | 126.2° | 124.3° |
| C23 | C25 | N26 | 103.5° | 109.5° |
| C23 | C25 | H15 | 110.9° | 109.4° |
| C23 | C25 | H16 | 110.9° | 109.5° |
| C25 | N26 | C27 | 126.6° | 122.8° |
| C25 | N26 | C31 | 125.6° | 122.7° |
| N26 | C25 | H15 | 111.0° | 109.5° |
| N26 | C25 | H16 | 110.9° | 109.5° |
| C34 | C33 | C29 | 111.4° | 117.4° |
| C34 | C33 | C30 | 109.2° | 117.4° |
| C34 | C33 | C35 | 122.4° | 115.5° |
| C33 | C34 | H19 | 109.5° | 109.4° |
| C33 | C34 | H20 | 109.5° | 109.5° |
| C33 | C34 | H21 | 109.5° | 109.5° |
| C27 | N26 | C31 | 107.8° | 114.5° |
| N26 | C27 | O28 | 125.7° | 125.4° |
| N26 | C27 | C29 | 106.0° | 109.2° |
| N26 | C31 | O32 | 125.2° | 125.4° |
| N26 | C31 | C30 | 106.6° | 109.2° |
| O28 | C27 | C29 | 128.3° | 125.5° |
| C27 | C29 | C33 | 148.6° | 118.6° |
| C27 | C29 | C30 | 110.4° | 103.6° |
| C27 | C29 | H17 | 108.5° | 117.7° |
| O32 | C31 | C30 | 128.2° | 125.4° |
| C31 | C30 | C29 | 109.1° | 103.6° |
| C31 | C30 | C33 | 150.8° | 119.1° |
| C31 | C30 | H18 | 107.0° | 117.7° |
| C33 | C29 | C30 | 59.6° | 59.7° |
| C29 | C33 | C30 | 61.0° | 60.5° |
| C29 | C33 | C35 | 118.0° | 117.4° |
| C33 | C29 | H17 | 102.8° | 119.7° |
| C29 | C30 | C33 | 59.5° | 59.8° |
| C30 | C29 | H17 | 102.6° | 123.1° |
| C29 | C30 | H18 | 101.6° | 122.3° |
| C30 | C33 | C35 | 119.4° | 117.5° |
| C33 | C30 | H18 | 101.8° | 119.7° |
| C33 | C35 | H22 | 109.5° | 109.4° |
| C33 | C35 | H23 | 109.5° | 109.4° |
| C33 | C35 | H24 | 109.5° | 109.5° |
| H2 | C03 | H3 | 109.5° | 110.6° |
| H4 | C04 | H5 | 109.4° | 109.8° |
| H6 | C06 | H7 | 109.5° | 110.4° |
| H8 | C11 | H9 | 109.4° | 109.4° |
| H8 | C11 | H10 | 109.5° | 109.5° |
| H9 | C11 | H10 | 109.5° | 109.4° |
| H15 | C25 | H16 | 109.5° | 109.5° |
| H19 | C34 | H20 | 109.4° | 109.5° |
| H19 | C34 | H21 | 109.5° | 109.4° |
| H20 | C34 | H21 | 109.5° | 109.5° |
| H22 | C35 | H23 | 109.5° | 109.5° |
| H22 | C35 | H24 | 109.5° | 109.5° |
| H23 | C35 | H24 | 109.5° | 109.5° |
| H25 | N01 | H26 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O08 | C07 | C09 | N05 | 178.2° | 180.0° |
| O08 | C07 | C09 | C10 | 77.4° | 90.0° |
| O08 | C07 | C09 | C15 | 102.4° | 90.3° |
| O08 | C07 | N05 | C06 | 1.6° | 0.0° |
| O08 | C07 | N05 | C04 | 179.3° | 180.0° |
| C18 | C17 | C16 | H12 | 180.0° | 179.9° |
| C17 | C18 | N19 | H13 | 180.0° | 180.0° |
| C17 | C18 | N19 | C20 | 0.7° | 0.2° |
| C18 | C17 | C16 | C15 | 179.1° | 180.0° |
| C18 | C17 | C16 | C21 | 2.2° | 0.3° |
| C16 | C17 | C18 | N19 | 1.3° | 0.1° |
| C17 | C16 | C15 | C09 | 46.7° | 51.9° |
| C17 | C16 | C15 | C21 | 178.6° | 179.7° |
| C17 | C16 | C15 | N14 | 135.1° | 127.8° |
| C17 | C16 | C21 | C20 | 1.3° | 0.4° |
| C17 | C16 | C21 | S22 | 178.6° | 179.7° |
| C16 | C17 | C18 | H13 | 178.7° | 180.0° |
| C18 | N19 | C20 | C21 | 1.6° | 0.2° |
| C18 | N19 | C20 | C24 | 179.7° | 179.7° |
| N19 | C18 | C17 | H12 | 178.7° | 180.0° |
| C07 | C09 | C10 | C11 | 0.3° | 0.1° |
| C07 | C09 | C10 | C15 | 179.8° | 179.7° |
| C07 | C09 | C10 | C12 | 180.0° | 180.0° |
| C09 | C07 | N05 | C06 | 179.8° | 180.0° |
| C09 | C07 | N05 | C04 | 1.1° | 0.0° |
| C07 | C09 | C15 | C16 | 0.4° | 0.0° |
| C07 | C09 | C15 | N14 | 178.7° | 179.7° |
| N05 | C07 | C09 | C10 | 104.4° | 90.0° |
| N05 | C07 | C09 | C15 | 75.8° | 89.7° |
| C07 | N05 | C06 | C04 | 179.3° | 180.0° |
| C07 | N05 | C06 | C02 | 159.6° | 155.9° |
| C07 | N05 | C04 | C03 | 175.1° | 178.9° |
| C07 | N05 | C04 | H4 | 55.6° | 59.5° |
| C07 | N05 | C04 | H5 | 65.5° | 61.5° |
| C07 | N05 | C06 | H6 | 40.5° | 85.3° |
| C07 | N05 | C06 | H7 | 81.2° | 37.0° |
| C11 | C10 | C09 | C12 | 179.7° | 179.9° |
| C11 | C10 | C09 | C15 | 179.5° | 179.7° |
| C11 | C10 | C12 | C13 | 179.7° | 179.9° |
| C10 | C11 | H8 | H9 | 120.0° | 120.0° |
| C10 | C11 | H8 | H10 | 120.0° | 120.1° |
| C10 | C11 | H9 | H10 | 120.0° | 120.0° |
| C11 | C10 | C12 | H11 | 0.4° | 0.0° |
| C10 | C09 | C15 | C16 | 179.8° | 179.8° |
| C10 | C09 | C15 | N14 | 1.6° | 0.5° |
| C09 | C10 | C12 | C13 | 0.6° | 0.0° |
| C09 | C10 | C11 | H8 | 90.2° | 90.0° |
| C09 | C10 | C11 | H9 | 149.9° | 150.0° |
| C09 | C10 | C11 | H10 | 29.9° | 30.1° |
| C09 | C10 | C12 | H11 | 179.3° | 180.0° |
| C15 | C09 | C10 | C12 | 0.2° | 0.3° |
| C09 | C15 | C16 | N14 | 178.2° | 179.7° |
| C09 | C15 | C16 | C21 | 134.7° | 128.4° |
| C09 | C15 | N14 | C13 | 2.1° | 0.6° |
| C10 | C12 | C13 | H11 | 180.0° | 180.0° |
| C10 | C12 | C13 | N14 | 0.1° | 0.0° |
| C10 | C12 | C13 | C36 | 179.4° | 180.0° |
| C12 | C10 | C11 | H8 | 90.1° | 89.9° |
| C12 | C10 | C11 | H9 | 29.8° | 30.1° |
| C12 | C10 | C11 | H10 | 149.8° | 150.0° |
| N05 | C06 | C02 | H6 | 119.1° | 118.8° |
| N05 | C06 | C02 | H7 | 119.1° | 118.9° |
| N05 | C06 | C02 | N01 | 151.0° | 155.1° |
| N05 | C06 | C02 | C03 | 33.0° | 37.0° |
| C06 | N05 | C04 | C03 | 5.6° | 1.1° |
| N05 | C06 | C02 | H1 | 84.6° | 81.1° |
| C06 | N05 | C04 | H4 | 125.1° | 120.5° |
| C06 | N05 | C04 | H5 | 113.9° | 118.5° |
| N05 | C06 | H6 | H7 | 122.6° | 122.3° |
| C02 | C06 | N05 | C04 | 19.6° | 24.1° |
| C06 | C02 | N01 | C03 | 115.6° | 112.2° |
| C06 | C02 | N01 | H1 | 125.5° | 123.9° |
| C06 | C02 | C03 | H1 | 120.4° | 118.1° |
| C06 | C02 | C03 | C04 | 39.2° | 35.5° |
| C06 | C02 | C03 | H2 | 158.6° | 153.9° |
| C06 | C02 | C03 | H3 | 80.1° | 83.0° |
| C02 | C06 | H6 | H7 | 122.6° | 122.3° |
| C06 | C02 | N01 | H25 | 180.0° | 173.7° |
| C06 | C02 | N01 | H26 | 60.0° | 62.4° |
| N05 | C04 | C03 | C02 | 24.2° | 22.2° |
| N05 | C04 | C03 | H4 | 119.5° | 119.4° |
| N05 | C04 | C03 | H5 | 119.4° | 119.6° |
| N05 | C04 | C03 | H2 | 143.6° | 140.5° |
| N05 | C04 | C03 | H3 | 95.1° | 96.2° |
| N05 | C04 | H4 | H5 | 121.6° | 121.2° |
| C04 | N05 | C06 | H6 | 138.7° | 94.7° |
| C04 | N05 | C06 | H7 | 99.5° | 143.0° |
| N19 | C20 | C21 | C16 | 0.5° | 0.1° |
| N19 | C20 | C21 | C24 | 178.8° | 179.9° |
| N19 | C20 | C21 | S22 | 179.5° | 179.9° |
| N19 | C20 | C24 | C23 | 179.7° | 180.0° |
| C20 | N19 | C18 | H13 | 179.3° | 179.8° |
| N19 | C20 | C24 | H14 | 0.3° | 0.1° |
| C16 | C15 | N14 | C13 | 179.6° | 179.8° |
| C15 | C16 | C21 | C20 | 180.0° | 180.0° |
| C15 | C16 | C21 | S22 | 0.1° | 0.0° |
| C15 | C16 | C17 | H12 | 0.9° | 0.1° |
| C21 | C16 | C15 | N14 | 43.6° | 51.9° |
| C16 | C21 | C20 | S22 | 180.0° | 180.0° |
| C16 | C21 | C20 | C24 | 179.4° | 180.0° |
| C16 | C21 | S22 | C23 | 179.8° | 179.9° |
| C21 | C16 | C17 | H12 | 177.8° | 179.7° |
| C15 | N14 | C13 | C12 | 1.3° | 0.3° |
| C15 | N14 | C13 | C36 | 179.1° | 179.7° |
| C12 | C13 | C36 | F38 | 120.2° | 30.0° |
| C12 | C13 | N14 | C36 | 179.5° | 180.0° |
| C12 | C13 | C36 | F37 | 1.8° | 150.0° |
| C12 | C13 | C36 | F39 | 116.9° | 90.0° |
| F38 | C36 | C13 | N14 | 60.2° | 150.0° |
| F38 | C36 | C13 | F37 | 118.4° | 120.0° |
| F38 | C36 | C13 | F39 | 122.9° | 120.0° |
| F38 | C36 | F37 | F39 | 121.1° | 120.0° |
| N14 | C13 | C36 | F37 | 178.6° | 30.0° |
| N14 | C13 | C36 | F39 | 62.7° | 90.0° |
| N14 | C13 | C12 | H11 | 179.9° | 180.0° |
| C13 | C36 | F37 | F39 | 118.7° | 120.0° |
| C36 | C13 | C12 | H11 | 0.6° | 0.0° |
| N01 | C02 | C03 | H1 | 120.4° | 123.8° |
| N01 | C02 | C03 | C04 | 158.5° | 153.6° |
| N01 | C02 | C03 | H2 | 82.2° | 88.1° |
| N01 | C02 | C03 | H3 | 39.1° | 35.0° |
| N01 | C02 | C06 | H6 | 89.9° | 36.3° |
| N01 | C02 | C06 | H7 | 31.9° | 86.1° |
| C02 | N01 | H25 | H26 | 120.0° | 123.9° |
| C02 | C03 | C04 | H2 | 119.4° | 118.3° |
| C02 | C03 | C04 | H3 | 119.4° | 118.5° |
| C02 | C03 | H2 | H3 | 121.9° | 123.2° |
| C02 | C03 | C04 | H4 | 143.7° | 97.2° |
| C02 | C03 | C04 | H5 | 95.2° | 141.8° |
| C03 | C02 | C06 | H6 | 152.1° | 81.8° |
| C03 | C02 | C06 | H7 | 86.1° | 155.9° |
| C03 | C02 | N01 | H25 | 64.4° | 61.5° |
| C03 | C02 | N01 | H26 | 175.6° | 174.6° |
| C21 | C20 | C24 | C23 | 0.9° | 0.1° |
| C20 | C21 | S22 | C23 | 0.3° | 0.0° |
| C21 | C20 | C24 | H14 | 179.1° | 180.0° |
| C24 | C20 | C21 | S22 | 0.7° | 0.0° |
| C20 | C24 | C23 | H14 | 180.0° | 179.9° |
| C20 | C24 | C23 | S22 | 0.6° | 0.1° |
| C20 | C24 | C23 | C25 | 179.8° | 180.0° |
| C21 | S22 | C23 | C24 | 0.2° | 0.0° |
| C21 | S22 | C23 | C25 | 179.8° | 180.0° |
| C04 | C03 | C02 | H1 | 81.2° | 82.6° |
| C04 | C03 | H2 | H3 | 121.9° | 123.4° |
| C03 | C04 | H4 | H5 | 121.6° | 121.0° |
| C24 | C23 | S22 | C25 | 179.6° | 179.9° |
| C24 | C23 | C25 | N26 | 102.7° | 90.0° |
| C24 | C23 | C25 | H15 | 16.4° | 150.1° |
| C24 | C23 | C25 | H16 | 138.3° | 30.0° |
| S22 | C23 | C25 | N26 | 76.8° | 89.9° |
| S22 | C23 | C24 | H14 | 179.4° | 180.0° |
| S22 | C23 | C25 | H15 | 164.1° | 30.0° |
| S22 | C23 | C25 | H16 | 42.2° | 150.0° |
| C23 | C25 | N26 | H15 | 119.1° | 119.9° |
| C23 | C25 | N26 | H16 | 119.0° | 120.0° |
| C23 | C25 | N26 | C27 | 92.8° | 90.0° |
| C23 | C25 | N26 | C31 | 86.7° | 90.7° |
| C25 | C23 | C24 | H14 | 0.2° | 0.1° |
| C23 | C25 | H15 | H16 | 122.7° | 120.0° |
| C25 | N26 | C27 | C31 | 179.6° | 179.3° |
| C25 | N26 | C27 | O28 | 0.7° | 0.2° |
| C25 | N26 | C27 | C29 | 178.0° | 180.0° |
| C25 | N26 | C31 | O32 | 1.8° | 0.6° |
| C25 | N26 | C31 | C30 | 175.7° | 179.7° |
| N26 | C25 | H15 | H16 | 122.8° | 120.0° |
| C34 | C33 | C29 | C27 | 21.5° | 18.1° |
| C34 | C33 | C30 | C31 | 30.7° | 18.4° |
| C34 | C33 | C29 | C30 | 100.8° | 107.6° |
| C34 | C33 | C29 | C35 | 149.4° | 144.7° |
| C34 | C33 | C30 | C35 | 147.9° | 144.7° |
| C34 | C33 | C29 | H17 | 162.0° | 139.1° |
| C34 | C33 | C30 | H18 | 158.9° | 140.1° |
| C33 | C34 | H19 | H20 | 120.0° | 120.0° |
| C33 | C34 | H19 | H21 | 120.0° | 120.0° |
| C33 | C34 | H20 | H21 | 120.0° | 120.0° |
| C34 | C33 | C35 | H22 | 180.0° | 154.6° |
| C34 | C33 | C35 | H23 | 60.0° | 34.6° |
| C34 | C33 | C35 | H24 | 60.0° | 85.4° |
| N26 | C27 | O28 | C29 | 176.7° | 179.7° |
| C27 | N26 | C31 | O32 | 178.6° | 179.9° |
| C27 | N26 | C31 | C30 | 3.9° | 1.0° |
| N26 | C27 | C29 | C33 | 65.3° | 62.7° |
| N26 | C27 | C29 | C30 | 0.6° | 0.0° |
| C27 | N26 | C25 | H15 | 26.3° | 29.9° |
| C27 | N26 | C25 | H16 | 148.2° | 150.0° |
| N26 | C27 | C29 | H17 | 111.1° | 139.6° |
| C31 | N26 | C27 | O28 | 178.9° | 179.1° |
| C31 | N26 | C27 | C29 | 1.6° | 0.6° |
| N26 | C31 | O32 | C30 | 177.0° | 179.0° |
| N26 | C31 | C30 | C29 | 4.0° | 0.9° |
| N26 | C31 | C30 | C33 | 57.0° | 61.8° |
| C31 | N26 | C25 | H15 | 154.2° | 149.4° |
| C31 | N26 | C25 | H16 | 32.3° | 29.3° |
| N26 | C31 | C30 | H18 | 113.2° | 139.3° |
| O28 | C27 | C29 | C33 | 111.9° | 117.6° |
| O28 | C27 | C29 | C30 | 176.6° | 179.8° |
| O28 | C27 | C29 | H17 | 71.7° | 40.1° |
| C27 | C29 | C30 | C31 | 3.4° | 0.5° |
| C27 | C29 | C33 | C30 | 79.3° | 89.5° |
| C27 | C29 | C33 | H17 | 176.5° | 157.2° |
| C27 | C29 | C30 | H17 | 115.5° | 136.8° |
| C27 | C29 | C33 | C35 | 170.9° | 162.8° |
| C27 | C29 | C30 | H18 | 116.1° | 136.5° |
| O32 | C31 | C30 | C29 | 178.6° | 180.0° |
| O32 | C31 | C30 | C33 | 120.4° | 117.3° |
| O32 | C31 | C30 | H18 | 69.4° | 41.6° |
| C31 | C30 | C33 | C29 | 73.8° | 89.2° |
| C31 | C30 | C29 | H18 | 112.7° | 136.0° |
| C31 | C30 | C33 | H18 | 170.4° | 158.5° |
| C31 | C30 | C33 | C35 | 178.5° | 163.2° |
| C31 | C30 | C29 | H17 | 112.1° | 136.3° |
| C33 | C29 | C30 | H17 | 97.6° | 107.8° |
| C29 | C33 | C30 | C35 | 107.7° | 107.6° |
| C33 | C29 | C30 | H18 | 96.9° | 108.1° |
| C29 | C33 | C34 | H19 | 180.0° | 60.0° |
| C29 | C33 | C34 | H20 | 60.0° | 180.0° |
| C29 | C33 | C34 | H21 | 60.0° | 59.9° |
| C29 | C33 | C35 | H22 | 34.2° | 60.0° |
| C29 | C33 | C35 | H23 | 154.2° | 180.0° |
| C29 | C33 | C35 | H24 | 85.8° | 60.0° |
| C30 | C33 | C34 | H19 | 114.5° | 129.2° |
| C30 | C33 | C34 | H20 | 5.5° | 110.8° |
| C30 | C33 | C34 | H21 | 125.5° | 9.3° |
| C30 | C33 | C35 | H22 | 36.5° | 9.2° |
| C30 | C33 | C35 | H23 | 83.5° | 110.8° |
| C30 | C33 | C35 | H24 | 156.5° | 129.2° |
| C35 | C33 | C29 | H17 | 12.6° | 5.6° |
| C35 | C33 | C30 | H18 | 11.1° | 4.7° |
| C35 | C33 | C34 | H19 | 32.2° | 85.4° |
| C35 | C33 | C34 | H20 | 152.2° | 34.6° |
| C35 | C33 | C34 | H21 | 87.8° | 154.7° |
| C33 | C35 | H22 | H23 | 120.0° | 119.9° |
| C33 | C35 | H22 | H24 | 120.0° | 120.0° |
| C33 | C35 | H23 | H24 | 120.0° | 120.0° |
| H1 | C02 | C03 | H2 | 38.2° | 35.7° |
| H1 | C02 | C03 | H3 | 159.5° | 158.8° |
| H1 | C02 | C06 | H6 | 34.5° | 160.1° |
| H1 | C02 | C06 | H7 | 156.3° | 37.8° |
| H1 | C02 | N01 | H25 | 54.5° | 62.4° |
| H1 | C02 | N01 | H26 | 65.5° | 61.5° |
| H2 | C03 | C04 | H4 | 97.0° | 21.1° |
| H2 | C03 | C04 | H5 | 24.1° | 99.8° |
| H3 | C03 | C04 | H4 | 24.3° | 144.3° |
| H3 | C03 | C04 | H5 | 145.4° | 23.4° |
| H8 | C11 | H9 | H10 | 120.0° | 119.9° |
| H12 | C17 | C18 | H13 | 1.3° | 0.0° |
| H17 | C29 | C30 | H18 | 0.7° | 0.3° |
| H19 | C34 | H20 | H21 | 120.0° | 120.0° |
| H22 | C35 | H23 | H24 | 120.0° | 120.1° |
