YVK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C12 | sing | 1.53Å | 1.54Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| O13 | C14 | sing | 1.43Å | 1.40Å | |
| O13 | C12 | sing | 1.43Å | 1.42Å | |
| C20 | C19 | sing | 1.53Å | 1.46Å | |
| C20 | C21 | sing | 1.53Å | 1.44Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C16 | C09 | sing | 1.53Å | 1.52Å | |
| C19 | C18 | sing | 1.53Å | 1.46Å | |
| C21 | C22 | sing | 1.50Å | 1.56Å | |
| C18 | N23 | sing | 1.46Å | 1.57Å | |
| C18 | C17 | sing | 1.51Å | 1.55Å | |
| C09 | C10 | sing | 1.53Å | 1.54Å | |
| C09 | N08 | sing | 1.47Å | 1.47Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C22 | N23 | sing | 1.33Å | 1.52Å | |
| C22 | O30 | doub | 1.21Å | 1.18Å | |
| N23 | C24 | sing | 1.40Å | 1.45Å | |
| C25 | C24 | doub | 1.39Å | 1.52Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.53Å | Aromatic |
| C17 | N08 | sing | 1.36Å | 1.36Å | Aromatic |
| C17 | N31 | doub | 1.30Å | 1.36Å | Aromatic |
| N08 | C07 | sing | 1.38Å | 1.33Å | Aromatic |
| C24 | C29 | sing | 1.39Å | 1.52Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.53Å | Aromatic |
| N31 | C06 | sing | 1.36Å | 1.33Å | Aromatic |
| C07 | C32 | doub | 1.39Å | 1.58Å | Aromatic |
| C07 | C06 | sing | 1.41Å | 1.38Å | Aromatic |
| C32 | C33 | sing | 1.38Å | 1.49Å | Aromatic |
| C06 | C05 | doub | 1.40Å | 1.56Å | Aromatic |
| C29 | C28 | doub | 1.38Å | 1.52Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.52Å | Aromatic |
| C33 | C04 | doub | 1.40Å | 1.48Å | Aromatic |
| C05 | C04 | sing | 1.39Å | 1.50Å | Aromatic |
| C04 | C03 | sing | 1.48Å | 1.52Å | |
| C01 | C02 | sing | 1.51Å | 1.53Å | |
| C03 | C02 | doub | 1.37Å | 1.37Å | Aromatic |
| C03 | C34 | sing | 1.42Å | 1.38Å | Aromatic |
| C02 | O37 | sing | 1.34Å | 1.33Å | Aromatic |
| C34 | C35 | sing | 1.51Å | 1.55Å | |
| C34 | N36 | doub | 1.30Å | 1.34Å | Aromatic |
| O37 | N36 | sing | 1.21Å | 1.39Å | Aromatic |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | 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 | |
| C26 | H9 | sing | 1.08Å | 1.08Å | |
| C28 | H10 | sing | 1.08Å | 1.08Å | |
| C01 | H11 | sing | 1.09Å | 1.10Å | |
| C01 | H12 | sing | 1.09Å | 1.10Å | |
| C01 | H13 | sing | 1.09Å | 1.10Å | |
| C05 | H14 | sing | 1.08Å | 1.08Å | |
| C09 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.08Å | 1.08Å | |
| C27 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C32 | H30 | sing | 1.08Å | 1.08Å | |
| C33 | H31 | sing | 1.08Å | 1.08Å | |
| C35 | H32 | sing | 1.09Å | 1.10Å | |
| C35 | H33 | sing | 1.09Å | 1.10Å | |
| C35 | H34 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C15 | C16 | 115.4° | 109.4° |
| C15 | C12 | O13 | 109.1° | 109.5° |
| C15 | C12 | C11 | 115.1° | 109.5° |
| C12 | C15 | H3 | 108.0° | 109.5° |
| C12 | C15 | H4 | 107.9° | 109.5° |
| C15 | C12 | H18 | 106.7° | 109.5° |
| C15 | C16 | C09 | 109.6° | 109.5° |
| C16 | C15 | H3 | 107.9° | 109.5° |
| C16 | C15 | H4 | 107.9° | 109.5° |
| C15 | C16 | H22 | 109.4° | 109.4° |
| C15 | C16 | H23 | 109.5° | 109.5° |
| C14 | O13 | C12 | 111.9° | 114.0° |
| O13 | C14 | H19 | 109.5° | 109.5° |
| O13 | C14 | H20 | 109.5° | 109.5° |
| O13 | C14 | H21 | 109.5° | 109.5° |
| O13 | C12 | C11 | 110.7° | 109.5° |
| O13 | C12 | H18 | 108.2° | 109.5° |
| C19 | C20 | C21 | 111.2° | 108.5° |
| C20 | C19 | C18 | 110.8° | 108.7° |
| C19 | C20 | H5 | 109.0° | 109.6° |
| C19 | C20 | H6 | 109.0° | 109.6° |
| C20 | C19 | H25 | 109.1° | 109.6° |
| C20 | C19 | H26 | 109.1° | 109.6° |
| C20 | C21 | C22 | 111.3° | 109.9° |
| C21 | C20 | H5 | 109.0° | 109.7° |
| C21 | C20 | H6 | 109.0° | 109.7° |
| C20 | C21 | H7 | 109.0° | 109.4° |
| C20 | C21 | H8 | 109.0° | 109.4° |
| C12 | C11 | C10 | 116.5° | 109.4° |
| C12 | C11 | H16 | 107.7° | 109.4° |
| C12 | C11 | H17 | 107.7° | 109.5° |
| C11 | C12 | H18 | 106.8° | 109.5° |
| C16 | C09 | C10 | 110.0° | 109.5° |
| C16 | C09 | N08 | 112.9° | 109.4° |
| C16 | C09 | H15 | 109.3° | 109.5° |
| C09 | C16 | H22 | 109.5° | 109.5° |
| C09 | C16 | H23 | 109.4° | 109.4° |
| C19 | C18 | N23 | 114.1° | 110.5° |
| C19 | C18 | C17 | 107.3° | 109.3° |
| C19 | C18 | H24 | 109.2° | 109.1° |
| C18 | C19 | H25 | 109.1° | 109.6° |
| C18 | C19 | H26 | 109.2° | 109.6° |
| C21 | C22 | N23 | 116.5° | 123.5° |
| C21 | C22 | O30 | 123.4° | 118.2° |
| C22 | C21 | H7 | 109.0° | 109.4° |
| C22 | C21 | H8 | 109.0° | 109.4° |
| N23 | C18 | C17 | 110.4° | 109.3° |
| C18 | N23 | C22 | 118.5° | 124.1° |
| C18 | N23 | C24 | 127.4° | 118.0° |
| N23 | C18 | H24 | 107.8° | 109.3° |
| C18 | C17 | N08 | 125.3° | 124.9° |
| C18 | C17 | N31 | 126.9° | 124.9° |
| C17 | C18 | H24 | 108.0° | 109.3° |
| C10 | C09 | N08 | 105.5° | 109.4° |
| C09 | C10 | C11 | 114.7° | 109.5° |
| C09 | C10 | H1 | 108.2° | 109.4° |
| C09 | C10 | H2 | 108.1° | 109.5° |
| C10 | C09 | H15 | 109.0° | 109.5° |
| C09 | N08 | C17 | 124.7° | 126.3° |
| C09 | N08 | C07 | 126.8° | 126.4° |
| N08 | C09 | H15 | 110.0° | 109.5° |
| C11 | C10 | H1 | 108.1° | 109.5° |
| C11 | C10 | H2 | 108.1° | 109.5° |
| C10 | C11 | H16 | 107.7° | 109.5° |
| C10 | C11 | H17 | 107.7° | 109.5° |
| N23 | C22 | O30 | 120.0° | 118.2° |
| C22 | N23 | C24 | 114.0° | 118.0° |
| N23 | C24 | C25 | 120.8° | 120.1° |
| N23 | C24 | C29 | 118.5° | 120.1° |
| C24 | C25 | C26 | 119.2° | 119.9° |
| C25 | C24 | C29 | 120.7° | 119.8° |
| C24 | C25 | H27 | 120.4° | 120.0° |
| C25 | C26 | C27 | 120.4° | 120.1° |
| C25 | C26 | H9 | 119.8° | 119.9° |
| C26 | C25 | H27 | 120.4° | 120.1° |
| N08 | C17 | N31 | 107.8° | 110.2° |
| C17 | N08 | C07 | 108.4° | 107.3° |
| C17 | N31 | C06 | 108.0° | 109.6° |
| N08 | C07 | C32 | 131.6° | 133.9° |
| N08 | C07 | C06 | 107.5° | 106.0° |
| C24 | C29 | C28 | 119.7° | 119.9° |
| C24 | C29 | H29 | 120.1° | 120.0° |
| C26 | C27 | C28 | 119.7° | 120.2° |
| C27 | C26 | H9 | 119.8° | 120.0° |
| C26 | C27 | H28 | 120.1° | 119.9° |
| N31 | C06 | C07 | 108.2° | 106.9° |
| N31 | C06 | C05 | 131.2° | 133.5° |
| C32 | C07 | C06 | 120.8° | 120.1° |
| C07 | C32 | C33 | 119.1° | 120.0° |
| C07 | C32 | H30 | 120.5° | 120.0° |
| C07 | C06 | C05 | 120.6° | 119.6° |
| C32 | C33 | C04 | 120.1° | 120.4° |
| C33 | C32 | H30 | 120.4° | 120.0° |
| C32 | C33 | H31 | 120.0° | 119.8° |
| C06 | C05 | C04 | 119.1° | 119.7° |
| C06 | C05 | H14 | 120.4° | 120.2° |
| C29 | C28 | C27 | 120.2° | 120.1° |
| C29 | C28 | H10 | 119.9° | 119.9° |
| C28 | C29 | H29 | 120.2° | 120.1° |
| C27 | C28 | H10 | 119.9° | 120.0° |
| C28 | C27 | H28 | 120.1° | 119.9° |
| C33 | C04 | C05 | 120.3° | 120.2° |
| C33 | C04 | C03 | 120.1° | 119.9° |
| C04 | C33 | H31 | 120.0° | 119.8° |
| C05 | C04 | C03 | 119.5° | 119.9° |
| C04 | C05 | H14 | 120.4° | 120.1° |
| C04 | C03 | C02 | 127.7° | 128.1° |
| C04 | C03 | C34 | 123.8° | 128.2° |
| C01 | C02 | C03 | 127.9° | 126.9° |
| C01 | C02 | O37 | 124.7° | 126.9° |
| C02 | C01 | H11 | 109.5° | 109.5° |
| C02 | C01 | H12 | 109.5° | 109.5° |
| C02 | C01 | H13 | 109.5° | 109.5° |
| C02 | C03 | C34 | 108.5° | 103.7° |
| C03 | C02 | O37 | 107.3° | 106.2° |
| C03 | C34 | C35 | 127.4° | 126.8° |
| C03 | C34 | N36 | 107.8° | 106.3° |
| C02 | O37 | N36 | 108.8° | 111.9° |
| C35 | C34 | N36 | 124.8° | 126.9° |
| C34 | C35 | H32 | 109.5° | 109.4° |
| C34 | C35 | H33 | 109.5° | 109.5° |
| C34 | C35 | H34 | 109.5° | 109.5° |
| C34 | N36 | O37 | 107.6° | 111.9° |
| H1 | C10 | H2 | 109.5° | 109.4° |
| H3 | C15 | H4 | 109.5° | 109.5° |
| H5 | C20 | H6 | 109.5° | 109.7° |
| H7 | C21 | H8 | 109.5° | 109.3° |
| H11 | C01 | H12 | 109.4° | 109.5° |
| H11 | C01 | H13 | 109.5° | 109.5° |
| H12 | C01 | H13 | 109.5° | 109.5° |
| H16 | C11 | H17 | 109.5° | 109.5° |
| H19 | C14 | H20 | 109.5° | 109.5° |
| H19 | C14 | H21 | 109.5° | 109.5° |
| H20 | C14 | H21 | 109.4° | 109.5° |
| H22 | C16 | H23 | 109.5° | 109.4° |
| H25 | C19 | H26 | 109.5° | 109.7° |
| H32 | C35 | H33 | 109.4° | 109.5° |
| H32 | C35 | H34 | 109.5° | 109.4° |
| H33 | C35 | H34 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C15 | C16 | H3 | 120.9° | 120.0° |
| C12 | C15 | C16 | H4 | 120.8° | 120.0° |
| C15 | C12 | O13 | C14 | 165.6° | 150.0° |
| C15 | C12 | O13 | C11 | 127.6° | 120.0° |
| C15 | C12 | O13 | H18 | 115.7° | 120.0° |
| C15 | C12 | C11 | H18 | 118.2° | 120.0° |
| C12 | C15 | C16 | C09 | 40.9° | 60.0° |
| C15 | C12 | C11 | C10 | 38.8° | 60.0° |
| C12 | C15 | H3 | H4 | 117.3° | 120.0° |
| C15 | C12 | C11 | H16 | 159.8° | 60.0° |
| C15 | C12 | C11 | H17 | 82.2° | 180.0° |
| C12 | C15 | C16 | H22 | 79.1° | 180.0° |
| C12 | C15 | C16 | H23 | 160.9° | 60.0° |
| C16 | C15 | C12 | O13 | 135.8° | 180.0° |
| C16 | C15 | C12 | C11 | 10.7° | 60.0° |
| C15 | C16 | C09 | H22 | 120.0° | 120.0° |
| C15 | C16 | C09 | H23 | 120.0° | 120.0° |
| C15 | C16 | C09 | C10 | 66.6° | 60.0° |
| C15 | C16 | C09 | N08 | 175.8° | 60.0° |
| C16 | C15 | H3 | H4 | 117.3° | 120.0° |
| C15 | C16 | C09 | H15 | 53.1° | 180.0° |
| C16 | C15 | C12 | H18 | 107.6° | 60.0° |
| C15 | C16 | H22 | H23 | 120.0° | 120.0° |
| C14 | O13 | C12 | C11 | 66.8° | 90.0° |
| C14 | O13 | C12 | H18 | 49.9° | 30.0° |
| O13 | C14 | H19 | H20 | 120.0° | 120.0° |
| O13 | C14 | H19 | H21 | 120.0° | 120.0° |
| O13 | C14 | H20 | H21 | 120.0° | 120.0° |
| O13 | C12 | C11 | H18 | 117.6° | 120.0° |
| O13 | C12 | C11 | C10 | 163.0° | 180.0° |
| O13 | C12 | C15 | H3 | 14.9° | 60.0° |
| O13 | C12 | C15 | H4 | 103.4° | 60.0° |
| O13 | C12 | C11 | H16 | 76.0° | 60.0° |
| O13 | C12 | C11 | H17 | 42.0° | 60.0° |
| C12 | O13 | C14 | H19 | 180.0° | 60.0° |
| C12 | O13 | C14 | H20 | 60.0° | 60.0° |
| C12 | O13 | C14 | H21 | 60.0° | 180.0° |
| C19 | C20 | C21 | H5 | 120.3° | 119.7° |
| C19 | C20 | C21 | H6 | 120.3° | 119.7° |
| C20 | C19 | C18 | H25 | 120.2° | 119.8° |
| C20 | C19 | C18 | H26 | 120.2° | 119.7° |
| C19 | C20 | C21 | C22 | 59.6° | 48.9° |
| C20 | C19 | C18 | N23 | 43.4° | 50.7° |
| C20 | C19 | C18 | C17 | 166.1° | 171.0° |
| C19 | C20 | H5 | H6 | 119.2° | 120.4° |
| C19 | C20 | C21 | H7 | 60.6° | 71.2° |
| C19 | C20 | C21 | H8 | 179.9° | 169.1° |
| C20 | C19 | C18 | H24 | 77.2° | 69.5° |
| C20 | C19 | H25 | H26 | 119.4° | 120.4° |
| C21 | C20 | C19 | C18 | 72.4° | 67.5° |
| C20 | C21 | C22 | H7 | 120.3° | 120.1° |
| C20 | C21 | C22 | H8 | 120.3° | 120.1° |
| C20 | C21 | C22 | N23 | 23.1° | 17.6° |
| C20 | C21 | C22 | O30 | 157.9° | 162.4° |
| C21 | C20 | H5 | H6 | 119.2° | 120.6° |
| C20 | C21 | H7 | H8 | 119.2° | 119.8° |
| C21 | C20 | C19 | H25 | 167.5° | 172.7° |
| C21 | C20 | C19 | H26 | 47.8° | 52.2° |
| C12 | C11 | C10 | C09 | 13.3° | 60.0° |
| C12 | C11 | C10 | H16 | 121.0° | 120.0° |
| C12 | C11 | C10 | H17 | 121.0° | 120.0° |
| C12 | C11 | C10 | H1 | 134.1° | 180.0° |
| C12 | C11 | C10 | H2 | 107.5° | 60.0° |
| C11 | C12 | C15 | H3 | 110.2° | 60.0° |
| C11 | C12 | C15 | H4 | 131.5° | 180.0° |
| C12 | C11 | H16 | H17 | 116.8° | 120.0° |
| C16 | C09 | C10 | N08 | 122.1° | 119.9° |
| C16 | C09 | C10 | H15 | 119.8° | 120.0° |
| C16 | C09 | N08 | H15 | 122.3° | 120.0° |
| C16 | C09 | C10 | C11 | 38.8° | 60.0° |
| C16 | C09 | N08 | C17 | 129.4° | 120.0° |
| C16 | C09 | N08 | C07 | 54.5° | 60.0° |
| C16 | C09 | C10 | H1 | 81.9° | 180.0° |
| C16 | C09 | C10 | H2 | 159.6° | 60.0° |
| C09 | C16 | C15 | H3 | 161.8° | 60.0° |
| C09 | C16 | C15 | H4 | 79.9° | 180.0° |
| C09 | C16 | H22 | H23 | 119.9° | 120.0° |
| C19 | C18 | N23 | C17 | 120.9° | 120.3° |
| C19 | C18 | N23 | H24 | 121.4° | 120.1° |
| C19 | C18 | C17 | H24 | 117.5° | 119.4° |
| C19 | C18 | N23 | C22 | 9.2° | 19.1° |
| C19 | C18 | N23 | C24 | 169.7° | 161.0° |
| C19 | C18 | C17 | N08 | 129.5° | 104.0° |
| C19 | C18 | C17 | N31 | 49.5° | 75.7° |
| C18 | C19 | C20 | H5 | 167.4° | 52.2° |
| C18 | C19 | C20 | H6 | 47.9° | 172.7° |
| C18 | C19 | H25 | H26 | 119.4° | 120.4° |
| C21 | C22 | N23 | C18 | 1.1° | 2.3° |
| C21 | C22 | N23 | O30 | 179.0° | 180.0° |
| C21 | C22 | N23 | C24 | 179.8° | 177.8° |
| C22 | C21 | C20 | H5 | 179.9° | 70.8° |
| C22 | C21 | C20 | H6 | 60.6° | 168.6° |
| C22 | C21 | H7 | H8 | 119.2° | 119.8° |
| N23 | C18 | C17 | H24 | 117.6° | 119.6° |
| C18 | N23 | C22 | C24 | 179.0° | 179.9° |
| C18 | N23 | C22 | O30 | 177.8° | 177.8° |
| C18 | N23 | C24 | C25 | 75.0° | 112.9° |
| N23 | C18 | C17 | N08 | 105.7° | 135.0° |
| N23 | C18 | C17 | N31 | 75.4° | 45.3° |
| C18 | N23 | C24 | C29 | 108.3° | 67.3° |
| N23 | C18 | C19 | H25 | 163.6° | 170.5° |
| N23 | C18 | C19 | H26 | 76.7° | 69.0° |
| C18 | C17 | N08 | C09 | 2.1° | 0.3° |
| C17 | C18 | N23 | C22 | 130.1° | 139.4° |
| C17 | C18 | N23 | C24 | 48.8° | 40.7° |
| C18 | C17 | N08 | N31 | 179.1° | 179.7° |
| C18 | C17 | N08 | C07 | 178.8° | 179.7° |
| C18 | C17 | N31 | C06 | 179.1° | 179.7° |
| C17 | C18 | C19 | H25 | 73.8° | 69.2° |
| C17 | C18 | C19 | H26 | 45.9° | 51.3° |
| C10 | C09 | N08 | H15 | 117.5° | 120.0° |
| C09 | C10 | C11 | H1 | 120.8° | 120.0° |
| C09 | C10 | C11 | H2 | 120.8° | 120.0° |
| C10 | C09 | N08 | C17 | 110.3° | 120.0° |
| C10 | C09 | N08 | C07 | 65.8° | 60.0° |
| C09 | C10 | H1 | H2 | 117.6° | 119.9° |
| C09 | C10 | C11 | H16 | 134.3° | 60.0° |
| C09 | C10 | C11 | H17 | 107.8° | 180.0° |
| C10 | C09 | C16 | H22 | 53.4° | 180.0° |
| C10 | C09 | C16 | H23 | 173.3° | 60.0° |
| N08 | C09 | C10 | C11 | 160.9° | 59.9° |
| C09 | N08 | C17 | C07 | 176.7° | 180.0° |
| C09 | N08 | C17 | N31 | 178.8° | 180.0° |
| C09 | N08 | C07 | C32 | 3.1° | 0.0° |
| C09 | N08 | C07 | C06 | 178.2° | 180.0° |
| N08 | C09 | C10 | H1 | 40.2° | 60.1° |
| N08 | C09 | C10 | H2 | 78.3° | 180.0° |
| N08 | C09 | C16 | H22 | 64.2° | 60.1° |
| N08 | C09 | C16 | H23 | 55.7° | 180.0° |
| C11 | C10 | H1 | H2 | 117.6° | 120.0° |
| C11 | C10 | C09 | H15 | 81.0° | 180.0° |
| C10 | C11 | H16 | H17 | 116.8° | 120.1° |
| C10 | C11 | C12 | H18 | 79.4° | 60.0° |
| C22 | N23 | C24 | C25 | 106.0° | 67.2° |
| C22 | N23 | C24 | C29 | 70.6° | 112.6° |
| N23 | C22 | C21 | H7 | 97.1° | 102.5° |
| N23 | C22 | C21 | H8 | 143.4° | 137.7° |
| C22 | N23 | C18 | H24 | 112.2° | 101.0° |
| O30 | C22 | N23 | C24 | 1.2° | 2.2° |
| O30 | C22 | C21 | H7 | 81.8° | 77.5° |
| O30 | C22 | C21 | H8 | 37.6° | 42.3° |
| N23 | C24 | C25 | C29 | 176.5° | 179.8° |
| N23 | C24 | C25 | C26 | 178.7° | 179.8° |
| N23 | C24 | C29 | C28 | 178.6° | 179.7° |
| C24 | N23 | C18 | H24 | 68.9° | 78.9° |
| N23 | C24 | C25 | H27 | 1.3° | 0.3° |
| N23 | C24 | C29 | H29 | 1.4° | 0.2° |
| C24 | C25 | C26 | H27 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 0.9° | 0.0° |
| C25 | C24 | C29 | C28 | 2.0° | 0.1° |
| C24 | C25 | C26 | H9 | 179.1° | 180.0° |
| C25 | C24 | C29 | H29 | 178.0° | 180.0° |
| C26 | C25 | C24 | C29 | 2.2° | 0.1° |
| C25 | C26 | C27 | H9 | 180.0° | 179.9° |
| C25 | C26 | C27 | C28 | 0.4° | 0.1° |
| C25 | C26 | C27 | H28 | 179.6° | 180.0° |
| N08 | C17 | N31 | C06 | 1.8° | 0.0° |
| C17 | N08 | C07 | C32 | 179.7° | 180.0° |
| C17 | N08 | C07 | C06 | 1.6° | 0.0° |
| C17 | N08 | C09 | H15 | 7.1° | 0.0° |
| N08 | C17 | C18 | H24 | 11.9° | 15.4° |
| N31 | C17 | N08 | C07 | 2.1° | 0.0° |
| C17 | N31 | C06 | C07 | 0.8° | 0.0° |
| C17 | N31 | C06 | C05 | 178.9° | 179.9° |
| N31 | C17 | C18 | H24 | 167.0° | 164.9° |
| N08 | C07 | C06 | N31 | 0.5° | 0.0° |
| N08 | C07 | C32 | C06 | 178.6° | 179.9° |
| N08 | C07 | C32 | C33 | 178.9° | 180.0° |
| N08 | C07 | C06 | C05 | 179.8° | 179.9° |
| C07 | N08 | C09 | H15 | 176.8° | 180.0° |
| N08 | C07 | C32 | H30 | 1.1° | 0.0° |
| C24 | C29 | C28 | H29 | 180.0° | 179.9° |
| C24 | C29 | C28 | C27 | 0.6° | 0.1° |
| C24 | C29 | C28 | H10 | 179.4° | 180.0° |
| C29 | C24 | C25 | H27 | 177.9° | 179.9° |
| C26 | C27 | C28 | C29 | 0.6° | 0.0° |
| C26 | C27 | C28 | H28 | 180.0° | 179.9° |
| C26 | C27 | C28 | H10 | 179.4° | 179.9° |
| C27 | C26 | C25 | H27 | 179.1° | 180.0° |
| N31 | C06 | C07 | C32 | 179.3° | 180.0° |
| N31 | C06 | C07 | C05 | 179.8° | 179.9° |
| N31 | C06 | C05 | C04 | 179.1° | 180.0° |
| N31 | C06 | C05 | H14 | 0.9° | 0.1° |
| C07 | C32 | C33 | H30 | 180.0° | 180.0° |
| C32 | C07 | C06 | C05 | 0.9° | 0.1° |
| C07 | C32 | C33 | C04 | 0.1° | 0.1° |
| C07 | C32 | C33 | H31 | 179.9° | 180.0° |
| C06 | C07 | C32 | C33 | 0.3° | 0.1° |
| C07 | C06 | C05 | C04 | 1.2° | 0.1° |
| C07 | C06 | C05 | H14 | 178.9° | 180.0° |
| C06 | C07 | C32 | H30 | 179.7° | 180.0° |
| C32 | C33 | C04 | H31 | 180.0° | 180.0° |
| C32 | C33 | C04 | C05 | 0.2° | 0.1° |
| C32 | C33 | C04 | C03 | 178.8° | 179.9° |
| C06 | C05 | C04 | C33 | 0.8° | 0.1° |
| C06 | C05 | C04 | H14 | 180.0° | 179.9° |
| C06 | C05 | C04 | C03 | 179.4° | 180.0° |
| C29 | C28 | C27 | H10 | 180.0° | 180.0° |
| C29 | C28 | C27 | H28 | 179.4° | 180.0° |
| C28 | C27 | C26 | H9 | 179.6° | 180.0° |
| C27 | C28 | C29 | H29 | 179.4° | 180.0° |
| C33 | C04 | C05 | C03 | 178.6° | 179.9° |
| C33 | C04 | C03 | C02 | 128.5° | 65.1° |
| C33 | C04 | C03 | C34 | 52.1° | 115.0° |
| C33 | C04 | C05 | H14 | 179.2° | 180.0° |
| C04 | C33 | C32 | H30 | 179.9° | 180.0° |
| C05 | C04 | C03 | C02 | 52.9° | 115.0° |
| C05 | C04 | C03 | C34 | 126.5° | 64.9° |
| C05 | C04 | C33 | H31 | 179.8° | 180.0° |
| C04 | C03 | C02 | C01 | 0.9° | 0.0° |
| C04 | C03 | C02 | C34 | 179.5° | 179.9° |
| C04 | C03 | C02 | O37 | 179.8° | 179.7° |
| C04 | C03 | C34 | C35 | 0.6° | 0.1° |
| C04 | C03 | C34 | N36 | 179.2° | 180.0° |
| C03 | C04 | C05 | H14 | 0.6° | 0.1° |
| C03 | C04 | C33 | H31 | 1.2° | 0.1° |
| C01 | C02 | C03 | O37 | 179.3° | 179.7° |
| C01 | C02 | C03 | C34 | 179.6° | 180.0° |
| C01 | C02 | O37 | N36 | 179.9° | 179.8° |
| C02 | C01 | H11 | H12 | 120.0° | 120.0° |
| C02 | C01 | H11 | H13 | 120.0° | 120.0° |
| C02 | C01 | H12 | H13 | 120.0° | 120.0° |
| C02 | C03 | C34 | C35 | 178.9° | 180.0° |
| C02 | C03 | C34 | N36 | 0.3° | 0.0° |
| C03 | C02 | O37 | N36 | 0.8° | 0.5° |
| C03 | C02 | C01 | H11 | 179.2° | 179.7° |
| C03 | C02 | C01 | H12 | 59.2° | 59.7° |
| C03 | C02 | C01 | H13 | 60.8° | 60.3° |
| C34 | C03 | C02 | O37 | 0.3° | 0.2° |
| C03 | C34 | C35 | N36 | 178.4° | 179.9° |
| C03 | C34 | N36 | O37 | 0.8° | 0.3° |
| C03 | C34 | C35 | H32 | 178.3° | 90.0° |
| C03 | C34 | C35 | H33 | 58.4° | 150.0° |
| C03 | C34 | C35 | H34 | 61.6° | 29.9° |
| C02 | O37 | N36 | C34 | 1.0° | 0.5° |
| O37 | C02 | C01 | H11 | 0.0° | 0.0° |
| O37 | C02 | C01 | H12 | 120.0° | 120.0° |
| O37 | C02 | C01 | H13 | 120.0° | 120.1° |
| C35 | C34 | N36 | O37 | 179.4° | 179.7° |
| C34 | C35 | H32 | H33 | 120.0° | 120.0° |
| C34 | C35 | H32 | H34 | 120.0° | 120.0° |
| C34 | C35 | H33 | H34 | 120.0° | 120.0° |
| N36 | C34 | C35 | H32 | 0.0° | 90.1° |
| N36 | C34 | C35 | H33 | 120.0° | 29.9° |
| N36 | C34 | C35 | H34 | 120.0° | 150.0° |
| H1 | C10 | C09 | H15 | 158.2° | 60.0° |
| H1 | C10 | C11 | H16 | 104.9° | 60.0° |
| H1 | C10 | C11 | H17 | 13.0° | 60.0° |
| H2 | C10 | C09 | H15 | 39.8° | 60.0° |
| H2 | C10 | C11 | H16 | 13.5° | 180.0° |
| H2 | C10 | C11 | H17 | 131.5° | 60.0° |
| H3 | C15 | C12 | H18 | 131.6° | 180.0° |
| H3 | C15 | C16 | H22 | 41.8° | 60.1° |
| H3 | C15 | C16 | H23 | 78.2° | NaN° |
| H4 | C15 | C12 | H18 | 13.3° | 60.0° |
| H4 | C15 | C16 | H22 | 160.1° | 60.0° |
| H4 | C15 | C16 | H23 | 40.1° | 60.0° |
| H5 | C20 | C21 | H7 | 59.6° | 169.1° |
| H5 | C20 | C21 | H8 | 59.8° | 49.4° |
| H5 | C20 | C19 | H25 | 47.2° | 67.5° |
| H5 | C20 | C19 | H26 | 72.4° | 172.0° |
| H6 | C20 | C21 | H7 | 179.1° | 48.5° |
| H6 | C20 | C21 | H8 | 59.6° | 71.2° |
| H6 | C20 | C19 | H25 | 72.3° | 52.9° |
| H6 | C20 | C19 | H26 | 168.1° | 67.6° |
| H9 | C26 | C25 | H27 | 0.9° | 0.1° |
| H9 | C26 | C27 | H28 | 0.4° | 0.1° |
| H10 | C28 | C27 | H28 | 0.6° | 0.0° |
| H10 | C28 | C29 | H29 | 0.6° | 0.1° |
| H11 | C01 | H12 | H13 | 120.0° | 120.0° |
| H15 | C09 | C16 | H22 | 173.1° | 60.0° |
| H15 | C09 | C16 | H23 | 67.0° | 60.0° |
| H16 | C11 | C12 | H18 | 41.6° | 180.0° |
| H17 | C11 | C12 | H18 | 159.6° | 60.0° |
| H19 | C14 | H20 | H21 | 120.0° | 120.0° |
| H24 | C18 | C19 | H25 | 43.0° | 50.3° |
| H24 | C18 | C19 | H26 | 162.6° | 170.8° |
| H30 | C32 | C33 | H31 | 0.1° | 0.0° |
| H32 | C35 | H33 | H34 | 120.0° | 120.0° |
