A1IXL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL01 | C02 | sing | 1.74Å | 1.79Å | |
| CL37 | C36 | sing | 1.74Å | 1.78Å | |
| C02 | C03 | doub | 1.38Å | 1.38Å | Aromatic |
| C02 | C36 | sing | 1.38Å | 1.39Å | Aromatic |
| C03 | C04 | sing | 1.38Å | 1.39Å | Aromatic |
| C36 | C06 | doub | 1.39Å | 1.40Å | Aromatic |
| C04 | C05 | doub | 1.38Å | 1.40Å | Aromatic |
| C06 | C05 | sing | 1.39Å | 1.38Å | Aromatic |
| C06 | N07 | sing | 1.40Å | 1.49Å | |
| C31 | N32 | doub | 1.32Å | 1.32Å | Aromatic |
| C31 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| N07 | C35 | sing | 1.47Å | 1.46Å | |
| N07 | C08 | sing | 1.47Å | 1.45Å | |
| N32 | C33 | sing | 1.32Å | 1.32Å | Aromatic |
| C30 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C35 | C34 | sing | 1.53Å | 1.54Å | |
| C08 | C09 | sing | 1.53Å | 1.52Å | |
| C09 | N10 | sing | 1.47Å | 1.37Å | |
| C34 | N10 | sing | 1.47Å | 1.37Å | |
| C33 | C28 | doub | 1.39Å | 1.39Å | Aromatic |
| C29 | C28 | sing | 1.40Å | 1.38Å | Aromatic |
| N10 | C11 | sing | 1.47Å | 1.30Å | |
| C28 | C25 | sing | 1.48Å | 1.41Å | |
| C11 | C12 | sing | 1.53Å | 1.55Å | |
| C25 | C26 | doub | 1.39Å | 1.41Å | Aromatic |
| C25 | C24 | sing | 1.40Å | 1.41Å | Aromatic |
| C12 | C13 | sing | 1.53Å | 1.56Å | |
| C26 | C27 | sing | 1.38Å | 1.41Å | Aromatic |
| O17 | C16 | doub | 1.22Å | 1.18Å | |
| C24 | C23 | doub | 1.38Å | 1.41Å | Aromatic |
| C27 | N18 | sing | 1.40Å | 1.49Å | |
| C27 | C22 | doub | 1.40Å | 1.41Å | Aromatic |
| C13 | C14 | sing | 1.53Å | 1.56Å | |
| C16 | N18 | sing | 1.35Å | 1.49Å | |
| C16 | N15 | sing | 1.35Å | 1.47Å | |
| C14 | N15 | sing | 1.46Å | 1.48Å | |
| C23 | C22 | sing | 1.39Å | 1.41Å | Aromatic |
| N18 | C19 | sing | 1.35Å | 1.43Å | |
| C22 | N21 | sing | 1.39Å | 1.48Å | |
| C19 | N21 | sing | 1.35Å | 1.44Å | |
| C19 | O20 | doub | 1.22Å | 1.18Å | |
| C12 | H1 | sing | 1.09Å | 1.10Å | |
| C12 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C14 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C24 | H7 | sing | 1.08Å | 1.08Å | |
| C29 | H8 | sing | 1.08Å | 1.08Å | |
| C30 | H9 | sing | 1.08Å | 1.08Å | |
| C31 | H10 | sing | 1.08Å | 1.08Å | |
| C33 | H11 | sing | 1.08Å | 1.08Å | |
| C34 | H12 | sing | 1.09Å | 1.10Å | |
| C34 | H13 | sing | 1.09Å | 1.10Å | |
| C35 | H14 | sing | 1.09Å | 1.10Å | |
| C35 | H15 | sing | 1.09Å | 1.10Å | |
| C03 | H16 | sing | 1.08Å | 1.08Å | |
| C04 | H17 | sing | 1.08Å | 1.08Å | |
| C05 | H18 | sing | 1.08Å | 1.08Å | |
| C08 | H19 | sing | 1.09Å | 1.10Å | |
| C08 | H20 | sing | 1.09Å | 1.10Å | |
| C09 | H21 | sing | 1.09Å | 1.10Å | |
| C09 | H22 | sing | 1.09Å | 1.10Å | |
| C11 | H23 | sing | 1.09Å | 1.10Å | |
| C11 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| N15 | H28 | sing | 0.97Å | 1.00Å | |
| N21 | H29 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL01 | C02 | C03 | 121.3° | 120.0° |
| CL01 | C02 | C36 | 118.0° | 120.0° |
| CL37 | C36 | C02 | 117.1° | 120.0° |
| CL37 | C36 | C06 | 122.6° | 120.1° |
| C03 | C02 | C36 | 120.6° | 120.0° |
| C02 | C03 | C04 | 119.1° | 120.1° |
| C02 | C03 | H16 | 120.5° | 119.9° |
| C02 | C36 | C06 | 120.3° | 119.9° |
| C03 | C04 | C05 | 120.3° | 120.1° |
| C04 | C03 | H16 | 120.4° | 120.0° |
| C03 | C04 | H17 | 119.8° | 120.0° |
| C36 | C06 | C05 | 119.0° | 119.8° |
| C36 | C06 | N07 | 122.2° | 120.1° |
| C04 | C05 | C06 | 120.6° | 120.0° |
| C05 | C04 | H17 | 119.8° | 119.9° |
| C04 | C05 | H18 | 119.7° | 120.0° |
| C05 | C06 | N07 | 118.9° | 120.1° |
| C06 | C05 | H18 | 119.7° | 120.0° |
| C06 | N07 | C35 | 121.0° | 111.0° |
| C06 | N07 | C08 | 118.5° | 111.0° |
| N32 | C31 | C30 | 121.3° | 121.0° |
| C31 | N32 | C33 | 121.1° | 121.8° |
| N32 | C31 | H10 | 119.4° | 119.5° |
| C31 | C30 | C29 | 119.4° | 119.3° |
| C31 | C30 | H9 | 120.3° | 120.3° |
| C30 | C31 | H10 | 119.3° | 119.5° |
| C35 | N07 | C08 | 106.7° | 110.9° |
| N07 | C35 | C34 | 114.7° | 109.4° |
| N07 | C35 | H14 | 108.1° | 109.5° |
| N07 | C35 | H15 | 108.1° | 109.5° |
| N07 | C08 | C09 | 111.5° | 109.4° |
| N07 | C08 | H19 | 108.9° | 109.5° |
| N07 | C08 | H20 | 108.9° | 109.5° |
| N32 | C33 | C28 | 120.4° | 120.6° |
| N32 | C33 | H11 | 119.8° | 119.7° |
| C30 | C29 | C28 | 117.6° | 118.2° |
| C30 | C29 | H8 | 121.2° | 120.9° |
| C29 | C30 | H9 | 120.3° | 120.3° |
| C35 | C34 | N10 | 111.4° | 109.4° |
| C35 | C34 | H12 | 109.0° | 109.5° |
| C35 | C34 | H13 | 109.0° | 109.5° |
| C34 | C35 | H14 | 108.2° | 109.5° |
| C34 | C35 | H15 | 108.2° | 109.5° |
| C08 | C09 | N10 | 111.2° | 109.4° |
| C09 | C08 | H19 | 109.0° | 109.4° |
| C09 | C08 | H20 | 109.0° | 109.5° |
| C08 | C09 | H21 | 109.0° | 109.5° |
| C08 | C09 | H22 | 109.1° | 109.5° |
| C09 | N10 | C34 | 113.7° | 110.9° |
| C09 | N10 | C11 | 111.1° | 111.0° |
| N10 | C09 | H21 | 109.0° | 109.5° |
| N10 | C09 | H22 | 109.0° | 109.4° |
| C34 | N10 | C11 | 114.8° | 111.0° |
| N10 | C34 | H12 | 109.0° | 109.5° |
| N10 | C34 | H13 | 109.0° | 109.5° |
| C33 | C28 | C29 | 120.2° | 118.9° |
| C33 | C28 | C25 | 120.2° | 120.6° |
| C28 | C33 | H11 | 119.8° | 119.7° |
| C29 | C28 | C25 | 119.6° | 120.5° |
| C28 | C29 | H8 | 121.2° | 120.9° |
| N10 | C11 | C12 | 109.9° | 109.5° |
| N10 | C11 | H23 | 109.4° | 109.5° |
| N10 | C11 | H24 | 109.4° | 109.5° |
| C28 | C25 | C26 | 119.6° | 120.0° |
| C28 | C25 | C24 | 120.5° | 120.0° |
| C11 | C12 | C13 | 114.1° | 109.5° |
| C11 | C12 | H1 | 108.3° | 109.5° |
| C11 | C12 | H2 | 108.3° | 109.5° |
| C12 | C11 | H23 | 109.4° | 109.5° |
| C12 | C11 | H24 | 109.4° | 109.5° |
| C26 | C25 | C24 | 120.0° | 120.0° |
| C25 | C26 | C27 | 120.2° | 119.8° |
| C25 | C26 | H26 | 119.9° | 120.1° |
| C25 | C24 | C23 | 119.9° | 120.2° |
| C25 | C24 | H7 | 120.1° | 119.9° |
| C12 | C13 | C14 | 113.0° | 109.4° |
| C13 | C12 | H1 | 108.3° | 109.5° |
| C13 | C12 | H2 | 108.3° | 109.5° |
| C12 | C13 | H3 | 108.6° | 109.5° |
| C12 | C13 | H4 | 108.6° | 109.4° |
| C26 | C27 | N18 | 132.3° | 133.3° |
| C26 | C27 | C22 | 119.8° | 120.0° |
| C27 | C26 | H26 | 119.9° | 120.1° |
| O17 | C16 | N18 | 119.3° | 120.0° |
| O17 | C16 | N15 | 120.4° | 120.0° |
| C24 | C23 | C22 | 120.2° | 120.0° |
| C23 | C24 | H7 | 120.1° | 120.0° |
| C24 | C23 | H25 | 119.9° | 120.0° |
| N18 | C27 | C22 | 107.9° | 106.7° |
| C27 | N18 | C16 | 126.4° | 125.8° |
| C27 | N18 | C19 | 107.9° | 108.3° |
| C27 | C22 | C23 | 120.0° | 120.1° |
| C27 | C22 | N21 | 108.3° | 106.8° |
| C13 | C14 | N15 | 112.2° | 109.4° |
| C14 | C13 | H3 | 108.6° | 109.5° |
| C14 | C13 | H4 | 108.6° | 109.5° |
| C13 | C14 | H5 | 108.8° | 109.5° |
| C13 | C14 | H6 | 108.8° | 109.4° |
| N18 | C16 | N15 | 120.4° | 120.0° |
| C16 | N18 | C19 | 125.6° | 125.8° |
| C16 | N15 | C14 | 120.5° | 120.0° |
| C16 | N15 | H28 | 119.7° | 120.0° |
| N15 | C14 | H5 | 108.8° | 109.5° |
| N15 | C14 | H6 | 108.8° | 109.5° |
| C14 | N15 | H28 | 119.7° | 120.0° |
| C23 | C22 | N21 | 131.7° | 133.1° |
| C22 | C23 | H25 | 119.9° | 120.0° |
| N18 | C19 | N21 | 108.2° | 109.7° |
| N18 | C19 | O20 | 125.4° | 125.2° |
| C22 | N21 | C19 | 107.7° | 108.5° |
| C22 | N21 | H29 | 126.2° | 125.8° |
| N21 | C19 | O20 | 126.4° | 125.2° |
| C19 | N21 | H29 | 126.1° | 125.7° |
| H1 | C12 | H2 | 109.5° | 109.4° |
| H3 | C13 | H4 | 109.5° | 109.5° |
| H5 | C14 | H6 | 109.5° | 109.5° |
| H12 | C34 | H13 | 109.5° | 109.5° |
| H14 | C35 | H15 | 109.5° | 109.4° |
| H19 | C08 | H20 | 109.5° | 109.5° |
| H21 | C09 | H22 | 109.5° | 109.5° |
| H23 | C11 | H24 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL01 | C02 | C36 | CL37 | 0.0° | 0.3° |
| CL01 | C02 | C03 | C36 | 179.8° | 180.0° |
| CL01 | C02 | C03 | C04 | 180.0° | 179.9° |
| CL01 | C02 | C36 | C06 | 179.7° | 180.0° |
| CL01 | C02 | C03 | H16 | 0.0° | 0.0° |
| CL37 | C36 | C02 | C03 | 179.8° | 179.8° |
| CL37 | C36 | C02 | C06 | 179.7° | 179.8° |
| CL37 | C36 | C06 | C05 | 179.7° | 179.8° |
| CL37 | C36 | C06 | N07 | 0.7° | 0.3° |
| C02 | C03 | C04 | H16 | 180.0° | 180.0° |
| C03 | C02 | C36 | C06 | 0.2° | 0.0° |
| C02 | C03 | C04 | C05 | 0.0° | 0.1° |
| C02 | C03 | C04 | H17 | 179.9° | 180.0° |
| C36 | C02 | C03 | C04 | 0.2° | 0.1° |
| C02 | C36 | C06 | C05 | 0.7° | 0.0° |
| C02 | C36 | C06 | N07 | 179.7° | 180.0° |
| C36 | C02 | C03 | H16 | 179.9° | 180.0° |
| C03 | C04 | C05 | H17 | 180.0° | 179.9° |
| C03 | C04 | C05 | C06 | 0.4° | 0.1° |
| C03 | C04 | C05 | H18 | 179.6° | 180.0° |
| C36 | C06 | C05 | C04 | 0.8° | 0.0° |
| C36 | C06 | C05 | N07 | 179.1° | 180.0° |
| C36 | C06 | N07 | C35 | 159.8° | 120.0° |
| C36 | C06 | N07 | C08 | 65.2° | 116.2° |
| C36 | C06 | C05 | H18 | 179.2° | 179.9° |
| C04 | C05 | C06 | H18 | 180.0° | 179.9° |
| C04 | C05 | C06 | N07 | 179.9° | 180.0° |
| C05 | C04 | C03 | H16 | 180.0° | 180.0° |
| C05 | C06 | N07 | C35 | 21.2° | 60.0° |
| C05 | C06 | N07 | C08 | 113.8° | 63.8° |
| C06 | C05 | C04 | H17 | 179.6° | 180.0° |
| C06 | N07 | C35 | C08 | 139.5° | 123.9° |
| C06 | N07 | C35 | C34 | 169.1° | 176.8° |
| C06 | N07 | C08 | C09 | 163.8° | 176.9° |
| C06 | N07 | C35 | H14 | 70.1° | 56.8° |
| C06 | N07 | C35 | H15 | 48.3° | 63.2° |
| N07 | C06 | C05 | H18 | 0.2° | 0.0° |
| C06 | N07 | C08 | H19 | 43.5° | 63.2° |
| C06 | N07 | C08 | H20 | 75.9° | 56.9° |
| N32 | C31 | C30 | H10 | 180.0° | 179.9° |
| N32 | C31 | C30 | C29 | 0.1° | 0.0° |
| C31 | N32 | C33 | C28 | 0.1° | 0.5° |
| N32 | C31 | C30 | H9 | 179.9° | 180.0° |
| C31 | N32 | C33 | H11 | 179.9° | 180.0° |
| C30 | C31 | N32 | C33 | 0.2° | 0.2° |
| C31 | C30 | C29 | H9 | 180.0° | 180.0° |
| C31 | C30 | C29 | C28 | 0.1° | 0.0° |
| C31 | C30 | C29 | H8 | 180.0° | 179.7° |
| N07 | C35 | C34 | H14 | 120.8° | 120.0° |
| N07 | C35 | C34 | H15 | 120.8° | 120.0° |
| C35 | N07 | C08 | C09 | 55.4° | 59.3° |
| N07 | C35 | C34 | N10 | 50.0° | 58.4° |
| N07 | C35 | C34 | H12 | 170.3° | 178.4° |
| N07 | C35 | C34 | H13 | 70.3° | 61.5° |
| N07 | C35 | H14 | H15 | 117.6° | 120.0° |
| C35 | N07 | C08 | H19 | 175.7° | 60.6° |
| C35 | N07 | C08 | H20 | 64.9° | 179.3° |
| C08 | N07 | C35 | C34 | 51.4° | 59.3° |
| N07 | C08 | C09 | H19 | 120.3° | 119.9° |
| N07 | C08 | C09 | H20 | 120.3° | 120.0° |
| N07 | C08 | C09 | N10 | 60.4° | 58.4° |
| C08 | N07 | C35 | H14 | 69.4° | 179.3° |
| C08 | N07 | C35 | H15 | 172.1° | 60.7° |
| N07 | C08 | H19 | H20 | 119.0° | 120.1° |
| N07 | C08 | C09 | H21 | 59.9° | 61.6° |
| N07 | C08 | C09 | H22 | 179.4° | 178.4° |
| N32 | C33 | C28 | H11 | 180.0° | 179.5° |
| N32 | C33 | C28 | C29 | 0.0° | 0.5° |
| N32 | C33 | C28 | C25 | 179.9° | 179.5° |
| C33 | N32 | C31 | H10 | 179.8° | 179.7° |
| C30 | C29 | C28 | C33 | 0.0° | 0.3° |
| C30 | C29 | C28 | H8 | 180.0° | 179.7° |
| C30 | C29 | C28 | C25 | 179.9° | 179.7° |
| C29 | C30 | C31 | H10 | 179.8° | 179.9° |
| C35 | C34 | N10 | C09 | 51.9° | 59.3° |
| C35 | C34 | N10 | H12 | 120.3° | 120.0° |
| C35 | C34 | N10 | H13 | 120.3° | 119.9° |
| C35 | C34 | N10 | C11 | 178.6° | 176.9° |
| C35 | C34 | H12 | H13 | 119.1° | 120.0° |
| C34 | C35 | H14 | H15 | 117.6° | 120.0° |
| C08 | C09 | N10 | H21 | 120.2° | 120.0° |
| C08 | C09 | N10 | H22 | 120.3° | 120.0° |
| C08 | C09 | N10 | C34 | 57.7° | 59.3° |
| C08 | C09 | N10 | C11 | 171.0° | 176.8° |
| C09 | C08 | H19 | H20 | 119.1° | 120.0° |
| C08 | C09 | H21 | H22 | 119.3° | 120.1° |
| C09 | N10 | C34 | C11 | 129.5° | 123.9° |
| C09 | N10 | C11 | C12 | 57.3° | 66.2° |
| C09 | N10 | C34 | H12 | 172.2° | 179.3° |
| C09 | N10 | C34 | H13 | 68.3° | 60.7° |
| N10 | C09 | C08 | H19 | 179.4° | 61.6° |
| N10 | C09 | C08 | H20 | 59.9° | 178.4° |
| N10 | C09 | H21 | H22 | 119.2° | 120.0° |
| C09 | N10 | C11 | H23 | 177.4° | 53.8° |
| C09 | N10 | C11 | H24 | 62.8° | 173.8° |
| C34 | N10 | C11 | C12 | 171.9° | 170.0° |
| N10 | C34 | H12 | H13 | 119.1° | 120.0° |
| N10 | C34 | C35 | H14 | 70.7° | 178.4° |
| N10 | C34 | C35 | H15 | 170.8° | 61.6° |
| C34 | N10 | C09 | H21 | 62.5° | 60.7° |
| C34 | N10 | C09 | H22 | 177.9° | 179.3° |
| C34 | N10 | C11 | H23 | 51.9° | 70.0° |
| C34 | N10 | C11 | H24 | 68.0° | 50.0° |
| C33 | C28 | C29 | C25 | 179.9° | 180.0° |
| C33 | C28 | C25 | C26 | 153.5° | 0.1° |
| C33 | C28 | C25 | C24 | 26.5° | 179.8° |
| C33 | C28 | C29 | H8 | 180.0° | 179.9° |
| C29 | C28 | C25 | C26 | 26.4° | 180.0° |
| C29 | C28 | C25 | C24 | 153.6° | 0.2° |
| C28 | C29 | C30 | H9 | 179.9° | 180.0° |
| C29 | C28 | C33 | H11 | 180.0° | 180.0° |
| N10 | C11 | C12 | H23 | 120.1° | 120.0° |
| N10 | C11 | C12 | H24 | 120.1° | 120.0° |
| N10 | C11 | C12 | C13 | 91.1° | 180.0° |
| N10 | C11 | C12 | H1 | 148.3° | 60.0° |
| N10 | C11 | C12 | H2 | 29.6° | 60.0° |
| C11 | N10 | C34 | H12 | 58.3° | 56.9° |
| C11 | N10 | C34 | H13 | 61.1° | 63.2° |
| C11 | N10 | C09 | H21 | 68.8° | 63.2° |
| C11 | N10 | C09 | H22 | 50.7° | 56.8° |
| N10 | C11 | H23 | H24 | 119.8° | 120.0° |
| C28 | C25 | C26 | C24 | 180.0° | 179.9° |
| C28 | C25 | C26 | C27 | 179.9° | 180.0° |
| C28 | C25 | C24 | C23 | 179.9° | 179.9° |
| C28 | C25 | C24 | H7 | 0.1° | 0.1° |
| C25 | C28 | C29 | H8 | 0.1° | 0.0° |
| C25 | C28 | C33 | H11 | 0.1° | 0.0° |
| C28 | C25 | C26 | H26 | 0.1° | 0.1° |
| C11 | C12 | C13 | H1 | 120.7° | 120.0° |
| C11 | C12 | C13 | H2 | 120.7° | 120.0° |
| C11 | C12 | C13 | C14 | 67.5° | 180.0° |
| C11 | C12 | H1 | H2 | 117.9° | 120.0° |
| C11 | C12 | C13 | H3 | 53.0° | 60.0° |
| C11 | C12 | C13 | H4 | 171.9° | 60.0° |
| C12 | C11 | H23 | H24 | 119.8° | 120.0° |
| C25 | C26 | C27 | H26 | 180.0° | 179.9° |
| C26 | C25 | C24 | C23 | 0.1° | 0.0° |
| C25 | C26 | C27 | N18 | 180.0° | 180.0° |
| C25 | C26 | C27 | C22 | 0.0° | 0.3° |
| C26 | C25 | C24 | H7 | 179.9° | 179.9° |
| C24 | C25 | C26 | C27 | 0.1° | 0.2° |
| C25 | C24 | C23 | H7 | 180.0° | 179.9° |
| C25 | C24 | C23 | C22 | 0.0° | 0.0° |
| C25 | C24 | C23 | H25 | 180.0° | 179.9° |
| C24 | C25 | C26 | H26 | 179.9° | 180.0° |
| C12 | C13 | C14 | H3 | 120.5° | 120.0° |
| C12 | C13 | C14 | H4 | 120.5° | 119.9° |
| C12 | C13 | C14 | N15 | 98.2° | 180.0° |
| C13 | C12 | H1 | H2 | 117.9° | 120.0° |
| C12 | C13 | H3 | H4 | 118.4° | 120.0° |
| C12 | C13 | C14 | H5 | 22.2° | 60.0° |
| C12 | C13 | C14 | H6 | 141.4° | 60.0° |
| C13 | C12 | C11 | H23 | 29.0° | 60.0° |
| C13 | C12 | C11 | H24 | 148.8° | 60.0° |
| C26 | C27 | N18 | C22 | 179.9° | 179.7° |
| C26 | C27 | N18 | C16 | 0.2° | 0.0° |
| C26 | C27 | C22 | C23 | 0.0° | 0.2° |
| C26 | C27 | N18 | C19 | 179.9° | 180.0° |
| C26 | C27 | C22 | N21 | 179.9° | 179.8° |
| O17 | C16 | N18 | C27 | 0.5° | 0.1° |
| O17 | C16 | N18 | N15 | 179.5° | 179.9° |
| O17 | C16 | N15 | C14 | 0.3° | 0.1° |
| O17 | C16 | N18 | C19 | 179.7° | 180.0° |
| O17 | C16 | N15 | H28 | 179.7° | 180.0° |
| C24 | C23 | C22 | C27 | 0.0° | 0.1° |
| C24 | C23 | C22 | H25 | 180.0° | 179.9° |
| C24 | C23 | C22 | N21 | 179.9° | 179.5° |
| C27 | N18 | C16 | C19 | 179.8° | 179.9° |
| C27 | N18 | C16 | N15 | 180.0° | 180.0° |
| N18 | C27 | C22 | C23 | 179.9° | 180.0° |
| N18 | C27 | C22 | N21 | 0.0° | 0.4° |
| C27 | N18 | C19 | N21 | 0.0° | 0.1° |
| C27 | N18 | C19 | O20 | 180.0° | 179.8° |
| N18 | C27 | C26 | H26 | 0.0° | 0.2° |
| C22 | C27 | N18 | C16 | 179.8° | 179.7° |
| C27 | C22 | C23 | N21 | 179.9° | 179.4° |
| C22 | C27 | N18 | C19 | 0.0° | 0.3° |
| C27 | C22 | N21 | C19 | 0.0° | 0.4° |
| C27 | C22 | C23 | H25 | 180.0° | 180.0° |
| C22 | C27 | C26 | H26 | 180.0° | 179.8° |
| C27 | C22 | N21 | H29 | 180.0° | 179.5° |
| C13 | C14 | N15 | C16 | 117.4° | 180.0° |
| C13 | C14 | N15 | H5 | 120.4° | 120.0° |
| C13 | C14 | N15 | H6 | 120.4° | 119.9° |
| C14 | C13 | C12 | H1 | 171.8° | 60.0° |
| C14 | C13 | C12 | H2 | 53.1° | 60.0° |
| C14 | C13 | H3 | H4 | 118.4° | 120.0° |
| C13 | C14 | H5 | H6 | 118.8° | 120.0° |
| C13 | C14 | N15 | H28 | 62.6° | 0.0° |
| N18 | C16 | N15 | C14 | 179.7° | 180.0° |
| C16 | N18 | C19 | N21 | 179.8° | 180.0° |
| C16 | N18 | C19 | O20 | 0.2° | 0.2° |
| N18 | C16 | N15 | H28 | 0.2° | 0.1° |
| C16 | N15 | C14 | H28 | 180.0° | 180.0° |
| N15 | C16 | N18 | C19 | 0.2° | 0.1° |
| C16 | N15 | C14 | H5 | 3.0° | 60.1° |
| C16 | N15 | C14 | H6 | 122.2° | 60.0° |
| N15 | C14 | C13 | H3 | 141.2° | 60.0° |
| N15 | C14 | C13 | H4 | 22.3° | 60.1° |
| N15 | C14 | H5 | H6 | 118.7° | 120.1° |
| C23 | C22 | N21 | C19 | 179.9° | 179.9° |
| C22 | C23 | C24 | H7 | 180.0° | 180.0° |
| C23 | C22 | N21 | H29 | 0.1° | 0.1° |
| N18 | C19 | N21 | C22 | 0.0° | 0.2° |
| N18 | C19 | N21 | O20 | 180.0° | 179.8° |
| N18 | C19 | N21 | H29 | 180.0° | 179.7° |
| C22 | N21 | C19 | H29 | 180.0° | 179.9° |
| C22 | N21 | C19 | O20 | 180.0° | 180.0° |
| N21 | C22 | C23 | H25 | 0.1° | 0.6° |
| O20 | C19 | N21 | H29 | 0.1° | 0.1° |
| H1 | C12 | C13 | H3 | 67.7° | 60.0° |
| H1 | C12 | C13 | H4 | 51.3° | 179.9° |
| H1 | C12 | C11 | H23 | 91.7° | 180.0° |
| H1 | C12 | C11 | H24 | 28.2° | 60.0° |
| H2 | C12 | C13 | H3 | 173.7° | 180.0° |
| H2 | C12 | C13 | H4 | 67.4° | 60.0° |
| H2 | C12 | C11 | H23 | 149.6° | 60.0° |
| H2 | C12 | C11 | H24 | 90.5° | 180.0° |
| H3 | C13 | C14 | H5 | 98.3° | 180.0° |
| H3 | C13 | C14 | H6 | 20.8° | 60.0° |
| H4 | C13 | C14 | H5 | 142.7° | 59.9° |
| H4 | C13 | C14 | H6 | 98.1° | 179.9° |
| H5 | C14 | N15 | H28 | 177.0° | 120.0° |
| H6 | C14 | N15 | H28 | 57.8° | 120.0° |
| H7 | C24 | C23 | H25 | 0.0° | 0.0° |
| H8 | C29 | C30 | H9 | 0.0° | 0.3° |
| H9 | C30 | C31 | H10 | 0.2° | 0.1° |
| H12 | C34 | C35 | H14 | 49.6° | 61.6° |
| H12 | C34 | C35 | H15 | 68.9° | 58.4° |
| H13 | C34 | C35 | H14 | 169.0° | 58.5° |
| H13 | C34 | C35 | H15 | 50.5° | 178.5° |
| H16 | C03 | C04 | H17 | 0.0° | 0.0° |
| H17 | C04 | C05 | H18 | 0.4° | 0.1° |
| H19 | C08 | C09 | H21 | 60.4° | 178.5° |
| H19 | C08 | C09 | H22 | 59.1° | 58.4° |
| H20 | C08 | C09 | H21 | 179.9° | 58.4° |
| H20 | C08 | C09 | H22 | 60.3° | 61.6° |
