TKN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C11 | sing | 1.53Å | 1.57Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C11 | C10 | sing | 1.53Å | 1.56Å | |
| C13 | C14 | sing | 1.53Å | 1.56Å | |
| C16 | C17 | sing | 1.51Å | 1.55Å | |
| C16 | C15 | doub | 1.31Å | 1.56Å | |
| C25 | C24 | sing | 1.53Å | 1.55Å | |
| C25 | C20 | sing | 1.51Å | 1.50Å | |
| C24 | C23 | sing | 1.53Å | 1.48Å | |
| C17 | N18 | sing | 1.47Å | 1.47Å | |
| C10 | C09 | sing | 1.51Å | 1.53Å | |
| N18 | C19 | sing | 1.39Å | 1.47Å | |
| C14 | C15 | sing | 1.51Å | 1.54Å | |
| C23 | C22 | sing | 1.53Å | 1.54Å | |
| C33 | C09 | doub | 1.38Å | 1.40Å | Aromatic |
| C33 | C34 | sing | 1.39Å | 1.40Å | Aromatic |
| C09 | C04 | sing | 1.40Å | 1.45Å | Aromatic |
| C20 | C19 | doub | 1.39Å | 1.43Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.45Å | Aromatic |
| C19 | C32 | sing | 1.41Å | 1.51Å | Aromatic |
| C07 | O06 | sing | 1.45Å | 1.43Å | |
| C34 | C35 | doub | 1.38Å | 1.38Å | Aromatic |
| O06 | C05 | sing | 1.35Å | 1.41Å | |
| C04 | C05 | sing | 1.47Å | 1.53Å | |
| C04 | C03 | doub | 1.40Å | 1.44Å | Aromatic |
| C05 | O08 | doub | 1.22Å | 1.26Å | |
| C22 | C21 | sing | 1.51Å | 1.54Å | |
| C21 | N26 | doub | 1.32Å | 1.35Å | Aromatic |
| C35 | C03 | sing | 1.39Å | 1.41Å | Aromatic |
| C03 | O02 | sing | 1.36Å | 1.40Å | |
| C32 | C31 | doub | 1.40Å | 1.46Å | Aromatic |
| C32 | C27 | sing | 1.42Å | 1.40Å | Aromatic |
| C31 | C30 | sing | 1.36Å | 1.39Å | Aromatic |
| N26 | C27 | sing | 1.33Å | 1.43Å | Aromatic |
| O02 | C01 | sing | 1.43Å | 1.39Å | |
| C27 | C28 | doub | 1.40Å | 1.47Å | Aromatic |
| C30 | C29 | doub | 1.39Å | 1.41Å | Aromatic |
| C28 | C29 | sing | 1.36Å | 1.39Å | Aromatic |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.08Å | 1.08Å | |
| C16 | H12 | sing | 1.08Å | 1.08Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C01 | H15 | sing | 1.09Å | 1.10Å | |
| C01 | H16 | sing | 1.09Å | 1.10Å | |
| C01 | H17 | sing | 1.09Å | 1.10Å | |
| C07 | H18 | sing | 1.09Å | 1.10Å | |
| C07 | H19 | sing | 1.09Å | 1.10Å | |
| C07 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H25 | sing | 1.09Å | 1.10Å | |
| C24 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| C25 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H29 | sing | 1.08Å | 1.08Å | |
| C29 | H30 | sing | 1.08Å | 1.08Å | |
| C30 | H31 | sing | 1.08Å | 1.08Å | |
| C31 | H32 | sing | 1.08Å | 1.08Å | |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| N18 | H36 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C12 | C13 | 114.7° | 109.5° |
| C12 | C11 | C10 | 117.8° | 109.4° |
| C11 | C12 | H3 | 108.1° | 109.5° |
| C11 | C12 | H4 | 108.1° | 109.5° |
| C12 | C11 | H5 | 107.4° | 109.5° |
| C12 | C11 | H6 | 107.4° | 109.4° |
| C12 | C13 | C14 | 117.5° | 109.5° |
| C13 | C12 | H3 | 108.1° | 109.5° |
| C13 | C12 | H4 | 108.2° | 109.4° |
| C12 | C13 | H7 | 107.5° | 109.5° |
| C12 | C13 | H8 | 107.4° | 109.4° |
| C11 | C10 | C09 | 115.1° | 109.4° |
| C11 | C10 | H1 | 108.0° | 109.4° |
| C11 | C10 | H2 | 108.0° | 109.5° |
| C10 | C11 | H5 | 107.3° | 109.5° |
| C10 | C11 | H6 | 107.4° | 109.4° |
| C13 | C14 | C15 | 113.7° | 109.5° |
| C14 | C13 | H7 | 107.4° | 109.4° |
| C14 | C13 | H8 | 107.4° | 109.5° |
| C13 | C14 | H9 | 108.4° | 109.4° |
| C13 | C14 | H10 | 108.4° | 109.5° |
| C17 | C16 | C15 | 115.9° | 120.0° |
| C16 | C17 | N18 | 117.2° | 109.5° |
| C17 | C16 | H12 | 122.0° | 120.0° |
| C16 | C17 | H13 | 107.5° | 109.5° |
| C16 | C17 | H14 | 107.5° | 109.4° |
| C16 | C15 | C14 | 115.2° | 120.0° |
| C16 | C15 | H11 | 122.4° | 120.0° |
| C15 | C16 | H12 | 122.0° | 120.0° |
| C24 | C25 | C20 | 118.5° | 110.6° |
| C25 | C24 | C23 | 112.5° | 108.4° |
| C25 | C24 | H25 | 108.7° | 109.7° |
| C25 | C24 | H26 | 108.7° | 109.7° |
| C24 | C25 | H27 | 107.2° | 109.3° |
| C24 | C25 | H28 | 107.2° | 109.3° |
| C25 | C20 | C19 | 122.1° | 117.5° |
| C25 | C20 | C21 | 118.2° | 122.7° |
| C20 | C25 | H27 | 107.2° | 109.2° |
| C20 | C25 | H28 | 107.2° | 109.2° |
| C24 | C23 | C22 | 111.7° | 108.4° |
| C24 | C23 | H23 | 108.9° | 109.7° |
| C24 | C23 | H24 | 108.9° | 109.8° |
| C23 | C24 | H25 | 108.7° | 109.7° |
| C23 | C24 | H26 | 108.7° | 109.7° |
| C17 | N18 | C19 | 130.0° | 111.0° |
| N18 | C17 | H13 | 107.5° | 109.4° |
| N18 | C17 | H14 | 107.5° | 109.4° |
| C17 | N18 | H36 | 104.1° | 111.0° |
| C10 | C09 | C33 | 117.3° | 120.0° |
| C10 | C09 | C04 | 124.1° | 120.1° |
| C09 | C10 | H1 | 108.1° | 109.4° |
| C09 | C10 | H2 | 108.0° | 109.5° |
| N18 | C19 | C20 | 118.5° | 120.8° |
| N18 | C19 | C32 | 123.9° | 120.8° |
| C19 | N18 | H36 | 104.1° | 111.0° |
| C15 | C14 | H9 | 108.4° | 109.5° |
| C15 | C14 | H10 | 108.4° | 109.5° |
| C14 | C15 | H11 | 122.4° | 120.0° |
| C23 | C22 | C21 | 117.3° | 110.7° |
| C23 | C22 | H21 | 107.5° | 109.3° |
| C23 | C22 | H22 | 107.5° | 109.2° |
| C22 | C23 | H23 | 108.9° | 109.7° |
| C22 | C23 | H24 | 108.9° | 109.6° |
| C09 | C33 | C34 | 122.8° | 120.3° |
| C33 | C09 | C04 | 118.6° | 119.9° |
| C09 | C33 | H33 | 118.6° | 119.9° |
| C33 | C34 | C35 | 120.0° | 120.4° |
| C34 | C33 | H33 | 118.6° | 119.8° |
| C33 | C34 | H34 | 120.0° | 119.9° |
| C09 | C04 | C05 | 120.3° | 120.2° |
| C09 | C04 | C03 | 117.6° | 119.6° |
| C19 | C20 | C21 | 119.7° | 119.7° |
| C20 | C19 | C32 | 117.6° | 118.4° |
| C20 | C21 | C22 | 120.3° | 122.1° |
| C20 | C21 | N26 | 122.3° | 120.9° |
| C19 | C32 | C31 | 125.1° | 121.7° |
| C19 | C32 | C27 | 118.1° | 118.6° |
| C07 | O06 | C05 | 125.2° | 117.0° |
| O06 | C07 | H18 | 109.5° | 109.5° |
| O06 | C07 | H19 | 109.5° | 109.4° |
| O06 | C07 | H20 | 109.4° | 109.5° |
| C34 | C35 | C03 | 119.8° | 120.1° |
| C35 | C34 | H34 | 120.0° | 119.8° |
| C34 | C35 | H35 | 120.1° | 119.9° |
| O06 | C05 | C04 | 125.0° | 120.0° |
| O06 | C05 | O08 | 112.9° | 120.0° |
| C05 | C04 | C03 | 122.2° | 120.2° |
| C04 | C05 | O08 | 122.2° | 120.0° |
| C04 | C03 | C35 | 121.3° | 119.7° |
| C04 | C03 | O02 | 119.9° | 120.1° |
| C22 | C21 | N26 | 117.4° | 117.0° |
| C21 | C22 | H21 | 107.5° | 109.2° |
| C21 | C22 | H22 | 107.5° | 109.2° |
| C21 | N26 | C27 | 119.8° | 122.6° |
| C35 | C03 | O02 | 118.8° | 120.2° |
| C03 | C35 | H35 | 120.1° | 120.0° |
| C03 | O02 | C01 | 115.7° | 117.0° |
| C31 | C32 | C27 | 116.8° | 119.7° |
| C32 | C31 | C30 | 123.1° | 119.6° |
| C32 | C31 | H32 | 118.4° | 120.2° |
| C32 | C27 | N26 | 122.5° | 119.7° |
| C32 | C27 | C28 | 119.0° | 119.0° |
| C31 | C30 | C29 | 120.2° | 120.8° |
| C31 | C30 | H31 | 119.9° | 119.6° |
| C30 | C31 | H32 | 118.5° | 120.2° |
| N26 | C27 | C28 | 118.5° | 121.2° |
| O02 | C01 | H15 | 109.5° | 109.5° |
| O02 | C01 | H16 | 109.5° | 109.5° |
| O02 | C01 | H17 | 109.5° | 109.5° |
| C27 | C28 | C29 | 121.9° | 119.8° |
| C27 | C28 | H29 | 119.0° | 120.1° |
| C30 | C29 | C28 | 118.9° | 121.1° |
| C30 | C29 | H30 | 120.5° | 119.5° |
| C29 | C30 | H31 | 119.9° | 119.6° |
| C29 | C28 | H29 | 119.1° | 120.1° |
| C28 | C29 | H30 | 120.5° | 119.5° |
| H1 | C10 | H2 | 109.4° | 109.5° |
| H3 | C12 | H4 | 109.5° | 109.5° |
| H5 | C11 | H6 | 109.4° | 109.5° |
| H7 | C13 | H8 | 109.5° | 109.5° |
| H9 | C14 | H10 | 109.5° | 109.5° |
| H13 | C17 | H14 | 109.5° | 109.5° |
| H15 | C01 | H16 | 109.5° | 109.5° |
| H15 | C01 | H17 | 109.4° | 109.5° |
| H16 | C01 | H17 | 109.5° | 109.4° |
| H18 | C07 | H19 | 109.4° | 109.4° |
| H18 | C07 | H20 | 109.5° | 109.5° |
| H19 | C07 | H20 | 109.5° | 109.5° |
| H21 | C22 | H22 | 109.4° | 109.2° |
| H23 | C23 | H24 | 109.5° | 109.6° |
| H25 | C24 | H26 | 109.5° | 109.7° |
| H27 | C25 | H28 | 109.4° | 109.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C12 | C13 | H3 | 120.7° | 120.1° |
| C11 | C12 | C13 | H4 | 120.8° | 120.0° |
| C12 | C11 | C10 | H5 | 121.2° | 120.0° |
| C12 | C11 | C10 | H6 | 121.2° | 119.9° |
| C11 | C12 | C13 | C14 | 102.6° | 180.0° |
| C12 | C11 | C10 | C09 | 133.3° | 180.0° |
| C12 | C11 | C10 | H1 | 105.8° | 60.1° |
| C12 | C11 | C10 | H2 | 12.5° | 60.0° |
| C11 | C12 | H3 | H4 | 117.6° | 120.0° |
| C12 | C11 | H5 | H6 | 116.2° | 120.0° |
| C11 | C12 | C13 | H7 | 18.5° | 60.0° |
| C11 | C12 | C13 | H8 | 136.2° | 60.0° |
| C13 | C12 | C11 | C10 | 42.7° | 180.0° |
| C12 | C13 | C14 | H7 | 121.2° | 120.0° |
| C12 | C13 | C14 | H8 | 121.1° | 120.0° |
| C12 | C13 | C14 | C15 | 149.3° | 180.0° |
| C13 | C12 | H3 | H4 | 117.6° | 120.0° |
| C13 | C12 | C11 | H5 | 163.9° | 60.0° |
| C13 | C12 | C11 | H6 | 78.5° | 60.1° |
| C12 | C13 | H7 | H8 | 116.3° | 120.0° |
| C12 | C13 | C14 | H9 | 90.0° | 60.0° |
| C12 | C13 | C14 | H10 | 28.7° | 60.0° |
| C11 | C10 | C09 | H1 | 120.8° | 119.9° |
| C11 | C10 | C09 | H2 | 120.8° | 120.0° |
| C11 | C10 | C09 | C33 | 11.8° | 95.1° |
| C11 | C10 | C09 | C04 | 168.2° | 85.0° |
| C11 | C10 | H1 | H2 | 117.4° | 120.0° |
| C10 | C11 | C12 | H3 | 163.5° | 60.0° |
| C10 | C11 | C12 | H4 | 78.0° | 60.0° |
| C10 | C11 | H5 | H6 | 116.2° | 120.0° |
| C13 | C14 | C15 | C16 | 11.9° | 125.0° |
| C13 | C14 | C15 | H9 | 120.6° | 120.0° |
| C13 | C14 | C15 | H10 | 120.7° | 120.0° |
| C14 | C13 | C12 | H3 | 136.6° | 60.0° |
| C14 | C13 | C12 | H4 | 18.1° | 60.0° |
| C14 | C13 | H7 | H8 | 116.3° | 120.0° |
| C13 | C14 | H9 | H10 | 118.1° | 120.0° |
| C13 | C14 | C15 | H11 | 168.1° | 55.0° |
| C17 | C16 | C15 | H12 | 180.0° | 180.0° |
| C16 | C17 | N18 | H13 | 121.1° | 120.0° |
| C16 | C17 | N18 | H14 | 121.1° | 120.0° |
| C16 | C17 | N18 | C19 | 113.6° | 174.8° |
| C17 | C16 | C15 | C14 | 179.0° | 180.0° |
| C17 | C16 | C15 | H11 | 1.0° | 0.0° |
| C16 | C17 | H13 | H14 | 116.5° | 120.0° |
| C16 | C17 | N18 | H36 | 9.0° | 61.3° |
| C15 | C16 | C17 | N18 | 133.9° | 125.0° |
| C16 | C15 | C14 | H11 | 180.0° | 180.0° |
| C16 | C15 | C14 | H9 | 132.5° | 5.0° |
| C16 | C15 | C14 | H10 | 108.8° | 115.0° |
| C15 | C16 | C17 | H13 | 105.0° | 115.0° |
| C15 | C16 | C17 | H14 | 12.8° | 5.0° |
| C24 | C25 | C20 | H27 | 121.3° | 120.3° |
| C24 | C25 | C20 | H28 | 121.3° | 120.3° |
| C25 | C24 | C23 | H25 | 120.4° | 119.7° |
| C25 | C24 | C23 | H26 | 120.4° | 119.7° |
| C25 | C24 | C23 | C22 | 53.2° | 70.0° |
| C24 | C25 | C20 | C19 | 164.4° | 162.4° |
| C24 | C25 | C20 | C21 | 15.5° | 17.9° |
| C25 | C24 | C23 | H23 | 173.6° | 170.2° |
| C25 | C24 | C23 | H24 | 67.1° | 49.7° |
| C25 | C24 | H25 | H26 | 118.6° | 120.5° |
| C24 | C25 | H27 | H28 | 115.9° | 119.5° |
| C20 | C25 | C24 | C23 | 42.8° | 51.0° |
| C25 | C20 | C19 | N18 | 0.2° | 0.9° |
| C25 | C20 | C19 | C21 | 179.9° | 179.7° |
| C25 | C20 | C19 | C32 | 179.5° | 179.5° |
| C25 | C20 | C21 | C22 | 1.0° | 1.2° |
| C25 | C20 | C21 | N26 | 179.9° | 179.2° |
| C20 | C25 | C24 | H25 | 77.7° | 68.7° |
| C20 | C25 | C24 | H26 | 163.2° | 170.7° |
| C20 | C25 | H27 | H28 | 115.9° | 119.4° |
| C24 | C23 | C22 | H23 | 120.3° | 119.7° |
| C24 | C23 | C22 | H24 | 120.4° | 119.9° |
| C24 | C23 | C22 | C21 | 40.0° | 51.6° |
| C24 | C23 | C22 | H21 | 81.1° | 68.7° |
| C24 | C23 | C22 | H22 | 161.2° | 171.9° |
| C24 | C23 | H23 | H24 | 119.0° | 120.6° |
| C23 | C24 | H25 | H26 | 118.6° | 120.6° |
| C23 | C24 | C25 | H27 | 78.5° | 69.2° |
| C23 | C24 | C25 | H28 | 164.1° | 171.3° |
| C17 | N18 | C19 | H36 | 122.7° | 124.0° |
| C17 | N18 | C19 | C20 | 159.0° | 95.8° |
| C17 | N18 | C19 | C32 | 21.3° | 83.8° |
| N18 | C17 | C16 | H12 | 46.1° | 55.0° |
| N18 | C17 | H13 | H14 | 116.5° | 120.0° |
| C10 | C09 | C33 | C04 | 180.0° | 180.0° |
| C10 | C09 | C33 | C34 | 179.9° | 180.0° |
| C10 | C09 | C04 | C05 | 0.0° | 0.0° |
| C10 | C09 | C04 | C03 | 179.9° | 180.0° |
| C09 | C10 | H1 | H2 | 117.4° | 120.1° |
| C09 | C10 | C11 | H5 | 12.1° | 60.0° |
| C09 | C10 | C11 | H6 | 105.5° | 60.1° |
| C10 | C09 | C33 | H33 | 0.1° | 0.0° |
| N18 | C19 | C20 | C32 | 179.7° | 179.7° |
| N18 | C19 | C20 | C21 | 179.7° | 179.5° |
| N18 | C19 | C32 | C31 | 0.2° | 0.3° |
| N18 | C19 | C32 | C27 | 179.7° | 179.7° |
| C19 | N18 | C17 | H13 | 125.3° | 54.8° |
| C19 | N18 | C17 | H14 | 7.5° | 65.3° |
| C15 | C14 | C13 | H7 | 28.2° | 60.0° |
| C15 | C14 | C13 | H8 | 89.5° | 60.0° |
| C15 | C14 | H9 | H10 | 118.1° | 120.0° |
| C14 | C15 | C16 | H12 | 1.0° | 0.0° |
| C23 | C22 | C21 | C20 | 13.5° | 18.3° |
| C23 | C22 | C21 | H21 | 121.2° | 120.3° |
| C23 | C22 | C21 | H22 | 121.2° | 120.2° |
| C23 | C22 | C21 | N26 | 167.3° | 162.1° |
| C23 | C22 | H21 | H22 | 116.4° | 119.4° |
| C22 | C23 | H23 | H24 | 119.0° | 120.4° |
| C22 | C23 | C24 | H25 | 67.2° | 49.7° |
| C22 | C23 | C24 | H26 | 173.7° | 170.3° |
| C09 | C33 | C34 | H33 | 180.0° | 180.0° |
| C09 | C33 | C34 | C35 | 0.1° | 0.3° |
| C33 | C09 | C04 | C05 | 180.0° | 180.0° |
| C33 | C09 | C04 | C03 | 0.1° | 0.0° |
| C33 | C09 | C10 | H1 | 132.6° | 145.0° |
| C33 | C09 | C10 | H2 | 109.1° | 24.9° |
| C09 | C33 | C34 | H34 | 179.8° | 180.0° |
| C34 | C33 | C09 | C04 | 0.0° | 0.0° |
| C33 | C34 | C35 | H34 | 180.0° | 179.7° |
| C33 | C34 | C35 | C03 | 0.0° | 0.6° |
| C33 | C34 | C35 | H35 | 180.0° | 180.0° |
| C09 | C04 | C05 | O06 | 122.4° | 90.0° |
| C09 | C04 | C05 | C03 | 179.9° | 180.0° |
| C09 | C04 | C05 | O08 | 57.5° | 90.0° |
| C09 | C04 | C03 | C35 | 0.3° | 0.3° |
| C09 | C04 | C03 | O02 | 179.7° | 180.0° |
| C04 | C09 | C10 | H1 | 47.4° | 35.0° |
| C04 | C09 | C10 | H2 | 70.9° | 155.0° |
| C04 | C09 | C33 | H33 | 179.9° | 180.0° |
| C19 | C20 | C21 | C22 | 178.9° | 179.2° |
| C19 | C20 | C21 | N26 | 0.2° | 0.4° |
| C20 | C19 | C32 | C31 | 179.9° | 179.9° |
| C20 | C19 | C32 | C27 | 0.6° | 0.0° |
| C19 | C20 | C25 | H27 | 74.3° | 77.3° |
| C19 | C20 | C25 | H28 | 43.1° | 42.2° |
| C20 | C19 | N18 | H36 | 36.3° | 140.2° |
| C21 | C20 | C19 | C32 | 0.6° | 0.2° |
| C20 | C21 | C22 | N26 | 179.2° | 179.6° |
| C20 | C21 | N26 | C27 | 0.1° | 0.4° |
| C20 | C21 | C22 | H21 | 107.7° | 102.0° |
| C20 | C21 | C22 | H22 | 134.6° | 138.6° |
| C21 | C20 | C25 | H27 | 105.8° | 102.4° |
| C21 | C20 | C25 | H28 | 136.8° | 138.2° |
| C19 | C32 | C31 | C27 | 179.5° | 180.0° |
| C19 | C32 | C31 | C30 | 179.3° | 179.9° |
| C19 | C32 | C27 | N26 | 0.3° | 0.1° |
| C19 | C32 | C27 | C28 | 179.6° | 179.9° |
| C19 | C32 | C31 | H32 | 0.7° | 0.0° |
| C32 | C19 | N18 | H36 | 144.0° | 40.2° |
| C07 | O06 | C05 | C04 | 12.0° | 179.9° |
| C07 | O06 | C05 | O08 | 168.1° | 0.0° |
| O06 | C07 | H18 | H19 | 120.0° | 119.9° |
| O06 | C07 | H18 | H20 | 120.0° | 120.1° |
| O06 | C07 | H19 | H20 | 120.0° | 120.0° |
| C34 | C35 | C03 | C04 | 0.2° | 0.5° |
| C34 | C35 | C03 | H35 | 180.0° | 179.4° |
| C34 | C35 | C03 | O02 | 179.8° | 179.7° |
| C35 | C34 | C33 | H33 | 179.8° | 179.7° |
| O06 | C05 | C04 | O08 | 179.9° | 180.0° |
| O06 | C05 | C04 | C03 | 57.7° | 90.0° |
| C05 | O06 | C07 | H18 | 180.0° | 180.0° |
| C05 | O06 | C07 | H19 | 60.0° | 60.1° |
| C05 | O06 | C07 | H20 | 60.0° | 60.0° |
| C05 | C04 | C03 | C35 | 179.9° | 179.7° |
| C05 | C04 | C03 | O02 | 0.2° | 0.0° |
| C03 | C04 | C05 | O08 | 122.4° | 90.0° |
| C04 | C03 | C35 | O02 | 179.9° | 179.7° |
| C04 | C03 | O02 | C01 | 162.0° | 180.0° |
| C04 | C03 | C35 | H35 | 179.9° | 179.9° |
| C22 | C21 | N26 | C27 | 179.3° | 179.2° |
| C21 | C22 | H21 | H22 | 116.4° | 119.4° |
| C21 | C22 | C23 | H23 | 160.4° | 171.3° |
| C21 | C22 | C23 | H24 | 80.3° | 68.3° |
| C21 | N26 | C27 | C32 | 0.1° | 0.1° |
| C21 | N26 | C27 | C28 | 180.0° | 179.9° |
| N26 | C21 | C22 | H21 | 71.5° | 77.6° |
| N26 | C21 | C22 | H22 | 46.2° | 41.8° |
| C35 | C03 | O02 | C01 | 18.1° | 0.3° |
| C03 | C35 | C34 | H34 | 179.9° | 179.7° |
| C03 | O02 | C01 | H15 | 180.0° | 180.0° |
| C03 | O02 | C01 | H16 | 60.0° | 60.0° |
| C03 | O02 | C01 | H17 | 60.0° | 60.0° |
| O02 | C03 | C35 | H35 | 0.2° | 0.3° |
| C32 | C31 | C30 | H32 | 180.0° | 179.9° |
| C31 | C32 | C27 | N26 | 179.8° | 179.9° |
| C31 | C32 | C27 | C28 | 0.1° | 0.1° |
| C32 | C31 | C30 | C29 | 0.3° | 0.1° |
| C32 | C31 | C30 | H31 | 179.7° | 179.9° |
| C27 | C32 | C31 | C30 | 0.1° | 0.1° |
| C32 | C27 | N26 | C28 | 179.9° | 180.0° |
| C32 | C27 | C28 | C29 | 0.2° | 0.1° |
| C32 | C27 | C28 | H29 | 179.8° | 179.9° |
| C27 | C32 | C31 | H32 | 179.8° | 180.0° |
| C31 | C30 | C29 | H31 | 180.0° | 180.0° |
| C31 | C30 | C29 | C28 | 0.2° | 0.0° |
| C31 | C30 | C29 | H30 | 179.8° | 180.0° |
| N26 | C27 | C28 | C29 | 179.7° | 179.9° |
| N26 | C27 | C28 | H29 | 0.3° | 0.1° |
| O02 | C01 | H15 | H16 | 120.0° | 120.1° |
| O02 | C01 | H15 | H17 | 120.0° | 120.0° |
| O02 | C01 | H16 | H17 | 120.0° | 120.0° |
| C27 | C28 | C29 | C30 | 0.0° | 0.0° |
| C27 | C28 | C29 | H29 | 180.0° | 180.0° |
| C27 | C28 | C29 | H30 | 180.0° | 180.0° |
| C30 | C29 | C28 | H30 | 180.0° | 180.0° |
| C30 | C29 | C28 | H29 | 180.0° | 179.9° |
| C29 | C30 | C31 | H32 | 179.7° | 180.0° |
| C28 | C29 | C30 | H31 | 179.8° | 179.9° |
| H1 | C10 | C11 | H5 | 133.0° | 59.9° |
| H1 | C10 | C11 | H6 | 15.4° | 180.0° |
| H2 | C10 | C11 | H5 | 108.7° | 180.0° |
| H2 | C10 | C11 | H6 | 133.7° | 59.9° |
| H3 | C12 | C11 | H5 | 75.4° | 180.0° |
| H3 | C12 | C11 | H6 | 42.2° | 60.0° |
| H3 | C12 | C13 | H7 | 102.2° | 180.0° |
| H3 | C12 | C13 | H8 | 15.5° | 60.0° |
| H4 | C12 | C11 | H5 | 43.1° | 60.0° |
| H4 | C12 | C11 | H6 | 160.7° | 180.0° |
| H4 | C12 | C13 | H7 | 139.3° | 60.0° |
| H4 | C12 | C13 | H8 | 103.0° | 180.0° |
| H7 | C13 | C14 | H9 | 148.8° | 180.0° |
| H7 | C13 | C14 | H10 | 92.5° | 60.1° |
| H8 | C13 | C14 | H9 | 31.1° | 60.0° |
| H8 | C13 | C14 | H10 | 149.9° | 180.0° |
| H9 | C14 | C15 | H11 | 47.5° | 175.0° |
| H10 | C14 | C15 | H11 | 71.2° | 65.0° |
| H11 | C15 | C16 | H12 | 179.0° | 180.0° |
| H12 | C16 | C17 | H13 | 75.0° | 64.9° |
| H12 | C16 | C17 | H14 | 167.2° | 175.0° |
| H13 | C17 | N18 | H36 | 112.1° | 178.7° |
| H14 | C17 | N18 | H36 | 130.1° | 58.7° |
| H15 | C01 | H16 | H17 | 120.0° | 120.0° |
| H18 | C07 | H19 | H20 | 120.0° | 120.0° |
| H21 | C22 | C23 | H23 | 39.2° | 51.0° |
| H21 | C22 | C23 | H24 | 158.5° | 171.4° |
| H22 | C22 | C23 | H23 | 78.5° | 68.4° |
| H22 | C22 | C23 | H24 | 40.8° | 52.0° |
| H23 | C23 | C24 | H25 | 53.1° | 70.1° |
| H23 | C23 | C24 | H26 | 66.0° | 50.5° |
| H24 | C23 | C24 | H25 | 172.4° | 169.4° |
| H24 | C23 | C24 | H26 | 53.3° | 70.0° |
| H25 | C24 | C25 | H27 | 161.0° | 171.1° |
| H25 | C24 | C25 | H28 | 43.6° | 51.6° |
| H26 | C24 | C25 | H27 | 41.9° | 50.5° |
| H26 | C24 | C25 | H28 | 75.5° | 69.0° |
| H29 | C28 | C29 | H30 | 0.0° | 0.0° |
| H30 | C29 | C30 | H31 | 0.2° | 0.0° |
| H31 | C30 | C31 | H32 | 0.3° | 0.0° |
| H33 | C33 | C34 | H34 | 0.2° | 0.0° |
| H34 | C34 | C35 | H35 | 0.1° | 0.3° |
