A1IKM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C34 | C33 | doub | 1.38Å | 1.43Å | Aromatic |
| C34 | C35 | sing | 1.39Å | 1.38Å | Aromatic |
| C33 | C31 | sing | 1.39Å | 1.39Å | Aromatic |
| C30 | C31 | sing | 1.51Å | 1.48Å | |
| C30 | C29 | sing | 1.53Å | 1.55Å | |
| O37 | C35 | sing | 1.36Å | 1.38Å | |
| O37 | C38 | sing | 1.43Å | 1.43Å | |
| C31 | C32 | doub | 1.38Å | 1.44Å | Aromatic |
| C35 | C36 | doub | 1.38Å | 1.44Å | Aromatic |
| C29 | C28 | sing | 1.53Å | 1.52Å | |
| C32 | C36 | sing | 1.40Å | 1.42Å | Aromatic |
| C32 | N27 | sing | 1.39Å | 1.43Å | |
| C18 | O17 | sing | 1.43Å | 1.43Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| O17 | C16 | sing | 1.43Å | 1.42Å | |
| C19 | N14 | sing | 1.47Å | 1.48Å | |
| N27 | C28 | sing | 1.46Å | 1.48Å | |
| N27 | C26 | sing | 1.47Å | 1.45Å | |
| C16 | C15 | sing | 1.53Å | 1.54Å | |
| N07 | C08 | sing | 1.40Å | 1.45Å | |
| N07 | C05 | sing | 1.35Å | 1.31Å | |
| O06 | C05 | doub | 1.21Å | 1.26Å | |
| C03 | C02 | sing | 1.53Å | 1.52Å | |
| N14 | C15 | sing | 1.47Å | 1.44Å | |
| N14 | C12 | sing | 1.35Å | 1.33Å | |
| C26 | C25 | sing | 1.53Å | 1.55Å | |
| C08 | C10 | doub | 1.38Å | 1.41Å | Aromatic |
| C08 | C09 | sing | 1.40Å | 1.38Å | Aromatic |
| C05 | C04 | sing | 1.51Å | 1.48Å | |
| N01 | C09 | sing | 1.39Å | 1.43Å | |
| N01 | C02 | sing | 1.47Å | 1.43Å | |
| C10 | C11 | sing | 1.40Å | 1.42Å | Aromatic |
| C25 | C24 | sing | 1.53Å | 1.53Å | |
| C09 | C21 | doub | 1.40Å | 1.40Å | Aromatic |
| C11 | C12 | sing | 1.48Å | 1.44Å | |
| C11 | C20 | doub | 1.40Å | 1.38Å | Aromatic |
| C02 | C04 | sing | 1.53Å | 1.55Å | |
| C21 | C20 | sing | 1.39Å | 1.40Å | Aromatic |
| C21 | C22 | sing | 1.48Å | 1.44Å | |
| C12 | O13 | doub | 1.22Å | 1.26Å | |
| C23 | C22 | doub | 1.33Å | 1.37Å | |
| C23 | C24 | sing | 1.51Å | 1.47Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C19 | H2 | sing | 1.09Å | 1.10Å | |
| C19 | H3 | sing | 1.09Å | 1.10Å | |
| C23 | H4 | sing | 1.08Å | 1.08Å | |
| C20 | H5 | sing | 1.08Å | 1.08Å | |
| C18 | H6 | sing | 1.09Å | 1.10Å | |
| C18 | H7 | sing | 1.09Å | 1.10Å | |
| C29 | H8 | sing | 1.09Å | 1.10Å | |
| C29 | H9 | sing | 1.09Å | 1.10Å | |
| C30 | H10 | sing | 1.09Å | 1.10Å | |
| C30 | H11 | sing | 1.09Å | 1.10Å | |
| C28 | H12 | sing | 1.09Å | 1.10Å | |
| C28 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C02 | H18 | sing | 1.09Å | 1.10Å | |
| C03 | H19 | sing | 1.09Å | 1.10Å | |
| C03 | H20 | sing | 1.09Å | 1.10Å | |
| C03 | H21 | sing | 1.09Å | 1.10Å | |
| C04 | H22 | sing | 1.09Å | 1.10Å | |
| C04 | H23 | sing | 1.09Å | 1.10Å | |
| C22 | H24 | sing | 1.08Å | 1.08Å | |
| 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 | |
| C26 | H29 | sing | 1.09Å | 1.10Å | |
| C26 | H30 | sing | 1.09Å | 1.10Å | |
| C33 | H31 | sing | 1.08Å | 1.08Å | |
| C34 | H32 | sing | 1.08Å | 1.08Å | |
| C36 | H33 | sing | 1.08Å | 1.08Å | |
| C38 | H34 | sing | 1.09Å | 1.10Å | |
| C38 | H35 | sing | 1.09Å | 1.10Å | |
| C38 | H36 | sing | 1.09Å | 1.10Å | |
| N01 | H37 | sing | 1.01Å | 1.00Å | |
| N07 | H38 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C33 | C34 | C35 | 119.9° | 119.9° |
| C34 | C33 | C31 | 122.5° | 120.6° |
| C34 | C33 | H31 | 118.8° | 119.7° |
| C33 | C34 | H32 | 120.0° | 120.1° |
| C34 | C35 | O37 | 119.3° | 120.1° |
| C34 | C35 | C36 | 119.5° | 119.8° |
| C35 | C34 | H32 | 120.0° | 120.1° |
| C33 | C31 | C30 | 121.2° | 118.1° |
| C33 | C31 | C32 | 117.9° | 119.9° |
| C31 | C33 | H31 | 118.8° | 119.7° |
| C31 | C30 | C29 | 113.2° | 109.6° |
| C30 | C31 | C32 | 120.9° | 122.0° |
| C31 | C30 | H10 | 108.5° | 109.4° |
| C31 | C30 | H11 | 108.5° | 109.5° |
| C30 | C29 | C28 | 110.1° | 108.0° |
| C30 | C29 | H8 | 109.3° | 109.8° |
| C30 | C29 | H9 | 109.3° | 109.8° |
| C29 | C30 | H10 | 108.5° | 109.5° |
| C29 | C30 | H11 | 108.5° | 109.4° |
| C35 | O37 | C38 | 118.4° | 117.0° |
| O37 | C35 | C36 | 121.1° | 120.1° |
| O37 | C38 | H34 | 109.5° | 109.4° |
| O37 | C38 | H35 | 109.5° | 109.5° |
| O37 | C38 | H36 | 109.5° | 109.4° |
| C31 | C32 | C36 | 120.0° | 119.5° |
| C31 | C32 | N27 | 119.9° | 122.9° |
| C35 | C36 | C32 | 120.1° | 120.4° |
| C35 | C36 | H33 | 119.9° | 119.8° |
| C29 | C28 | N27 | 110.0° | 108.7° |
| C28 | C29 | H8 | 109.3° | 109.8° |
| C28 | C29 | H9 | 109.3° | 109.7° |
| C29 | C28 | H12 | 109.4° | 109.6° |
| C29 | C28 | H13 | 109.3° | 109.6° |
| C36 | C32 | N27 | 120.1° | 117.6° |
| C32 | C36 | H33 | 119.9° | 119.8° |
| C32 | N27 | C28 | 119.4° | 113.2° |
| C32 | N27 | C26 | 120.8° | 111.0° |
| O17 | C18 | C19 | 113.9° | 109.2° |
| C18 | O17 | C16 | 110.9° | 114.2° |
| O17 | C18 | H6 | 108.3° | 109.5° |
| O17 | C18 | H7 | 108.4° | 109.5° |
| C18 | C19 | N14 | 112.7° | 108.4° |
| C18 | C19 | H2 | 108.6° | 109.6° |
| C18 | C19 | H3 | 108.6° | 109.7° |
| C19 | C18 | H6 | 108.4° | 109.5° |
| C19 | C18 | H7 | 108.3° | 109.5° |
| O17 | C16 | C15 | 115.9° | 109.2° |
| O17 | C16 | H16 | 107.8° | 109.5° |
| O17 | C16 | H17 | 107.9° | 109.6° |
| C19 | N14 | C15 | 106.4° | 118.0° |
| C19 | N14 | C12 | 123.8° | 121.0° |
| N14 | C19 | H2 | 108.6° | 109.7° |
| N14 | C19 | H3 | 108.7° | 109.7° |
| C28 | N27 | C26 | 109.8° | 111.0° |
| N27 | C28 | H12 | 109.3° | 109.6° |
| N27 | C28 | H13 | 109.3° | 109.7° |
| N27 | C26 | C25 | 113.1° | 109.5° |
| N27 | C26 | H29 | 108.5° | 109.4° |
| N27 | C26 | H30 | 108.5° | 109.5° |
| C16 | C15 | N14 | 112.1° | 108.4° |
| C16 | C15 | H14 | 108.8° | 109.7° |
| C16 | C15 | H15 | 108.8° | 109.7° |
| C15 | C16 | H16 | 107.9° | 109.5° |
| C15 | C16 | H17 | 107.8° | 109.5° |
| C08 | N07 | C05 | 119.7° | 118.5° |
| N07 | C08 | C10 | 115.7° | 120.3° |
| N07 | C08 | C09 | 124.4° | 119.4° |
| C08 | N07 | H38 | 120.1° | 120.8° |
| N07 | C05 | O06 | 116.5° | 120.3° |
| N07 | C05 | C04 | 125.6° | 119.5° |
| C05 | N07 | H38 | 120.1° | 120.7° |
| O06 | C05 | C04 | 117.9° | 120.2° |
| C03 | C02 | N01 | 110.7° | 109.2° |
| C03 | C02 | C04 | 112.3° | 109.3° |
| C03 | C02 | H18 | 107.7° | 109.3° |
| C02 | C03 | H19 | 109.5° | 109.4° |
| C02 | C03 | H20 | 109.5° | 109.5° |
| C02 | C03 | H21 | 109.5° | 109.5° |
| C15 | N14 | C12 | 129.7° | 121.0° |
| N14 | C15 | H14 | 108.8° | 109.7° |
| N14 | C15 | H15 | 108.8° | 109.7° |
| N14 | C12 | C11 | 131.0° | 120.1° |
| N14 | C12 | O13 | 113.7° | 120.0° |
| C26 | C25 | C24 | 113.4° | 109.5° |
| C26 | C25 | H27 | 108.5° | 109.5° |
| C26 | C25 | H28 | 108.5° | 109.5° |
| C25 | C26 | H29 | 108.6° | 109.5° |
| C25 | C26 | H30 | 108.6° | 109.5° |
| C10 | C08 | C09 | 119.8° | 120.3° |
| C08 | C10 | C11 | 120.9° | 120.1° |
| C08 | C10 | H1 | 119.6° | 120.0° |
| C08 | C09 | N01 | 117.8° | 119.9° |
| C08 | C09 | C21 | 120.2° | 119.9° |
| C05 | C04 | C02 | 108.5° | 110.3° |
| C05 | C04 | H22 | 109.7° | 109.3° |
| C05 | C04 | H23 | 109.7° | 109.2° |
| C09 | N01 | C02 | 128.5° | 112.4° |
| N01 | C09 | C21 | 121.9° | 120.2° |
| C09 | N01 | H37 | 104.5° | 111.0° |
| N01 | C02 | C04 | 109.8° | 110.5° |
| N01 | C02 | H18 | 108.9° | 109.3° |
| C02 | N01 | H37 | 104.5° | 111.0° |
| C10 | C11 | C12 | 118.0° | 120.0° |
| C10 | C11 | C20 | 117.0° | 120.0° |
| C11 | C10 | H1 | 119.6° | 120.0° |
| C25 | C24 | C23 | 110.5° | 109.5° |
| C25 | C24 | H25 | 109.2° | 109.5° |
| C25 | C24 | H26 | 109.2° | 109.5° |
| C24 | C25 | H27 | 108.5° | 109.4° |
| C24 | C25 | H28 | 108.5° | 109.5° |
| C09 | C21 | C20 | 118.7° | 119.8° |
| C09 | C21 | C22 | 122.8° | 120.1° |
| C12 | C11 | C20 | 124.7° | 120.0° |
| C11 | C12 | O13 | 115.3° | 119.9° |
| C11 | C20 | C21 | 123.2° | 120.0° |
| C11 | C20 | H5 | 118.3° | 120.0° |
| C04 | C02 | H18 | 107.4° | 109.3° |
| C02 | C04 | H22 | 109.7° | 109.3° |
| C02 | C04 | H23 | 109.7° | 109.4° |
| C20 | C21 | C22 | 118.5° | 120.1° |
| C21 | C20 | H5 | 118.4° | 120.0° |
| C21 | C22 | C23 | 123.6° | 120.1° |
| C21 | C22 | H24 | 118.2° | 120.0° |
| C22 | C23 | C24 | 122.6° | 120.0° |
| C22 | C23 | H4 | 118.7° | 120.0° |
| C23 | C22 | H24 | 118.2° | 120.0° |
| C24 | C23 | H4 | 118.7° | 120.0° |
| C23 | C24 | H25 | 109.2° | 109.5° |
| C23 | C24 | H26 | 109.2° | 109.4° |
| H2 | C19 | H3 | 109.5° | 109.7° |
| H6 | C18 | H7 | 109.5° | 109.6° |
| H8 | C29 | H9 | 109.5° | 109.7° |
| H10 | C30 | H11 | 109.5° | 109.4° |
| H12 | C28 | H13 | 109.5° | 109.6° |
| H14 | C15 | H15 | 109.5° | 109.6° |
| H16 | C16 | H17 | 109.5° | 109.5° |
| H19 | C03 | H20 | 109.5° | 109.4° |
| H19 | C03 | H21 | 109.5° | 109.5° |
| H20 | C03 | H21 | 109.5° | 109.5° |
| H22 | C04 | H23 | 109.5° | 109.4° |
| H25 | C24 | H26 | 109.5° | 109.4° |
| H27 | C25 | H28 | 109.5° | 109.5° |
| H29 | C26 | H30 | 109.5° | 109.5° |
| H34 | C38 | H35 | 109.5° | 109.5° |
| H34 | C38 | H36 | 109.4° | 109.4° |
| H35 | C38 | H36 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C33 | C34 | C35 | H32 | 180.0° | 179.9° |
| C34 | C33 | C31 | H31 | 180.0° | 179.9° |
| C34 | C33 | C31 | C30 | 179.3° | 179.7° |
| C33 | C34 | C35 | O37 | 179.6° | 179.9° |
| C34 | C33 | C31 | C32 | 2.1° | 0.2° |
| C33 | C34 | C35 | C36 | 2.9° | 0.2° |
| C35 | C34 | C33 | C31 | 2.7° | 0.1° |
| C34 | C35 | O37 | C36 | 177.5° | 180.0° |
| C34 | C35 | O37 | C38 | 178.4° | 0.1° |
| C34 | C35 | C36 | C32 | 2.6° | 0.0° |
| C35 | C34 | C33 | H31 | 177.3° | 180.0° |
| C34 | C35 | C36 | H33 | 177.4° | 179.9° |
| C33 | C31 | C30 | C32 | 177.1° | 179.9° |
| C33 | C31 | C30 | C29 | 160.3° | 164.3° |
| C33 | C31 | C32 | C36 | 1.8° | 0.3° |
| C33 | C31 | C32 | N27 | 179.7° | 179.1° |
| C33 | C31 | C30 | H10 | 79.2° | 44.3° |
| C33 | C31 | C30 | H11 | 39.7° | 75.7° |
| C31 | C33 | C34 | H32 | 177.3° | 179.8° |
| C31 | C30 | C29 | H10 | 120.5° | 120.0° |
| C31 | C30 | C29 | H11 | 120.6° | 120.1° |
| C31 | C30 | C29 | C28 | 47.2° | 47.4° |
| C30 | C31 | C32 | C36 | 179.1° | 179.5° |
| C30 | C31 | C32 | N27 | 2.5° | 1.0° |
| C31 | C30 | C29 | H8 | 167.3° | 167.0° |
| C31 | C30 | C29 | H9 | 72.9° | 72.3° |
| C31 | C30 | H10 | H11 | 118.3° | 119.9° |
| C30 | C31 | C33 | H31 | 0.6° | 0.4° |
| C29 | C30 | C31 | C32 | 16.8° | 15.8° |
| C30 | C29 | C28 | H8 | 120.1° | 119.6° |
| C30 | C29 | C28 | H9 | 120.1° | 119.7° |
| C30 | C29 | C28 | N27 | 58.7° | 68.2° |
| C30 | C29 | H8 | H9 | 119.7° | 120.8° |
| C29 | C30 | H10 | H11 | 118.3° | 119.9° |
| C30 | C29 | C28 | H12 | 61.3° | 51.5° |
| C30 | C29 | C28 | H13 | 178.8° | 171.9° |
| O37 | C35 | C36 | C32 | 179.9° | 180.0° |
| O37 | C35 | C34 | H32 | 0.4° | 0.2° |
| O37 | C35 | C36 | H33 | 0.1° | 0.0° |
| C35 | O37 | C38 | H34 | 180.0° | 180.0° |
| C35 | O37 | C38 | H35 | 60.0° | 60.0° |
| C35 | O37 | C38 | H36 | 60.0° | 60.1° |
| C38 | O37 | C35 | C36 | 4.1° | 179.9° |
| O37 | C38 | H34 | H35 | 120.0° | 120.1° |
| O37 | C38 | H34 | H36 | 120.0° | 119.9° |
| O37 | C38 | H35 | H36 | 120.0° | 120.0° |
| C31 | C32 | C36 | C35 | 2.1° | 0.3° |
| C31 | C32 | C36 | N27 | 178.5° | 179.5° |
| C31 | C32 | N27 | C28 | 10.4° | 20.3° |
| C31 | C32 | N27 | C26 | 152.7° | 145.9° |
| C32 | C31 | C30 | H10 | 103.7° | 135.9° |
| C32 | C31 | C30 | H11 | 137.4° | 104.2° |
| C32 | C31 | C33 | H31 | 177.9° | 179.7° |
| C31 | C32 | C36 | H33 | 177.9° | 179.8° |
| C35 | C36 | C32 | H33 | 180.0° | 179.9° |
| C35 | C36 | C32 | N27 | 179.4° | 179.2° |
| C36 | C35 | C34 | H32 | 177.1° | 179.8° |
| C29 | C28 | N27 | C32 | 41.4° | 53.4° |
| C29 | C28 | N27 | H12 | 120.1° | 119.8° |
| C29 | C28 | N27 | H13 | 120.1° | 119.9° |
| C29 | C28 | N27 | C26 | 172.6° | 179.0° |
| C28 | C29 | H8 | H9 | 119.7° | 120.7° |
| C28 | C29 | C30 | H10 | 73.4° | 167.4° |
| C28 | C29 | C30 | H11 | 167.7° | 72.7° |
| C29 | C28 | H12 | H13 | 119.8° | 120.4° |
| C36 | C32 | N27 | C28 | 168.0° | 160.2° |
| C36 | C32 | N27 | C26 | 25.8° | 34.6° |
| C32 | N27 | C28 | C26 | 146.0° | 125.6° |
| C32 | N27 | C26 | C25 | 63.8° | 176.6° |
| C32 | N27 | C28 | H12 | 78.6° | 66.4° |
| C32 | N27 | C28 | H13 | 161.5° | 173.2° |
| C32 | N27 | C26 | H29 | 175.7° | 63.5° |
| C32 | N27 | C26 | H30 | 56.8° | 56.5° |
| N27 | C32 | C36 | H33 | 0.5° | 0.7° |
| O17 | C18 | C19 | H6 | 120.6° | 119.9° |
| O17 | C18 | C19 | H7 | 120.6° | 119.9° |
| O17 | C18 | C19 | N14 | 15.9° | 52.3° |
| C18 | O17 | C16 | C15 | 52.0° | 62.6° |
| O17 | C18 | C19 | H2 | 104.6° | 172.0° |
| O17 | C18 | C19 | H3 | 136.4° | 67.5° |
| O17 | C18 | H6 | H7 | 118.0° | 120.1° |
| C18 | O17 | C16 | H16 | 173.0° | 57.4° |
| C18 | O17 | C16 | H17 | 68.9° | 177.5° |
| C19 | C18 | O17 | C16 | 40.3° | 62.5° |
| C18 | C19 | N14 | H2 | 120.5° | 119.7° |
| C18 | C19 | N14 | H3 | 120.5° | 119.8° |
| C18 | C19 | N14 | C15 | 62.1° | 50.6° |
| C18 | C19 | N14 | C12 | 115.5° | 129.5° |
| C18 | C19 | H2 | H3 | 118.5° | 120.5° |
| C19 | C18 | H6 | H7 | 118.0° | 120.2° |
| O17 | C16 | C15 | H16 | 120.9° | 119.9° |
| O17 | C16 | C15 | H17 | 120.9° | 120.0° |
| O17 | C16 | C15 | N14 | 4.5° | 52.3° |
| C16 | O17 | C18 | H6 | 80.3° | 177.5° |
| C16 | O17 | C18 | H7 | 161.0° | 57.4° |
| O17 | C16 | C15 | H14 | 115.9° | 67.4° |
| O17 | C16 | C15 | H15 | 124.9° | 172.1° |
| O17 | C16 | H16 | H17 | 117.1° | 120.2° |
| C19 | N14 | C15 | C16 | 50.6° | 50.6° |
| C19 | N14 | C15 | C12 | 177.4° | 179.9° |
| C19 | N14 | C12 | C11 | 4.4° | 175.8° |
| C19 | N14 | C12 | O13 | 176.4° | 4.1° |
| N14 | C19 | H2 | H3 | 118.5° | 120.6° |
| N14 | C19 | C18 | H6 | 136.5° | 172.2° |
| N14 | C19 | C18 | H7 | 104.7° | 67.6° |
| C19 | N14 | C15 | H14 | 171.0° | 69.2° |
| C19 | N14 | C15 | H15 | 69.8° | 170.4° |
| C28 | N27 | C26 | C25 | 81.7° | 56.7° |
| N27 | C28 | C29 | H8 | 178.9° | 172.2° |
| N27 | C28 | C29 | H9 | 61.3° | 51.5° |
| N27 | C28 | H12 | H13 | 119.8° | 120.4° |
| C28 | N27 | C26 | H29 | 38.9° | 63.3° |
| C28 | N27 | C26 | H30 | 157.8° | 176.7° |
| N27 | C26 | C25 | H29 | 120.5° | 119.9° |
| N27 | C26 | C25 | H30 | 120.5° | 120.1° |
| N27 | C26 | C25 | C24 | 162.7° | 179.8° |
| C26 | N27 | C28 | H12 | 67.3° | 59.2° |
| C26 | N27 | C28 | H13 | 52.5° | 61.2° |
| N27 | C26 | C25 | H27 | 42.2° | 59.8° |
| N27 | C26 | C25 | H28 | 76.7° | 60.2° |
| N27 | C26 | H29 | H30 | 118.3° | 120.0° |
| C16 | C15 | N14 | H14 | 120.4° | 119.8° |
| C16 | C15 | N14 | H15 | 120.4° | 119.8° |
| C16 | C15 | N14 | C12 | 126.8° | 129.5° |
| C16 | C15 | H14 | H15 | 118.8° | 120.6° |
| C15 | C16 | H16 | H17 | 117.1° | 120.1° |
| C08 | N07 | C05 | H38 | 180.0° | 180.0° |
| C08 | N07 | C05 | O06 | 177.0° | 176.7° |
| N07 | C08 | C10 | C09 | 178.8° | 179.0° |
| C08 | N07 | C05 | C04 | 3.0° | 3.3° |
| N07 | C08 | C09 | N01 | 2.6° | 3.1° |
| N07 | C08 | C10 | C11 | 178.5° | 178.3° |
| N07 | C08 | C09 | C21 | 179.6° | 178.0° |
| N07 | C08 | C10 | H1 | 1.5° | 1.4° |
| N07 | C05 | O06 | C04 | 180.0° | 179.9° |
| C05 | N07 | C08 | C10 | 137.4° | 130.5° |
| C05 | N07 | C08 | C09 | 41.4° | 48.5° |
| N07 | C05 | C04 | C02 | 73.2° | 75.9° |
| N07 | C05 | C04 | H22 | 46.6° | 163.8° |
| N07 | C05 | C04 | H23 | 166.9° | 44.3° |
| O06 | C05 | C04 | C02 | 106.8° | 104.0° |
| O06 | C05 | C04 | H22 | 133.3° | 16.2° |
| O06 | C05 | C04 | H23 | 13.0° | 135.8° |
| O06 | C05 | N07 | H38 | 3.0° | 3.3° |
| C03 | C02 | C04 | C05 | 67.2° | 76.3° |
| C03 | C02 | N01 | C09 | 146.2° | 164.5° |
| C03 | C02 | N01 | C04 | 124.5° | 120.2° |
| C03 | C02 | N01 | H18 | 118.2° | 119.5° |
| C03 | C02 | C04 | H18 | 118.2° | 119.6° |
| C02 | C03 | H19 | H20 | 120.0° | 119.9° |
| C02 | C03 | H19 | H21 | 120.0° | 120.0° |
| C02 | C03 | H20 | H21 | 120.0° | 120.1° |
| C03 | C02 | C04 | H22 | 173.0° | 44.0° |
| C03 | C02 | C04 | H23 | 52.7° | 163.7° |
| C03 | C02 | N01 | H37 | 23.7° | 39.5° |
| C15 | N14 | C12 | C11 | 178.6° | 4.3° |
| C15 | N14 | C12 | O13 | 0.6° | 175.8° |
| C15 | N14 | C19 | H2 | 58.3° | 170.2° |
| C15 | N14 | C19 | H3 | 177.4° | 69.2° |
| N14 | C15 | H14 | H15 | 118.8° | 120.5° |
| N14 | C15 | C16 | H16 | 125.4° | 67.6° |
| N14 | C15 | C16 | H17 | 116.5° | 172.3° |
| N14 | C12 | C11 | C10 | 47.7° | 44.9° |
| N14 | C12 | C11 | O13 | 179.2° | 179.9° |
| N14 | C12 | C11 | C20 | 137.3° | 135.1° |
| C12 | N14 | C19 | H2 | 124.1° | 9.9° |
| C12 | N14 | C19 | H3 | 5.0° | 110.7° |
| C12 | N14 | C15 | H14 | 6.4° | 110.7° |
| C12 | N14 | C15 | H15 | 112.8° | 9.7° |
| C26 | C25 | C24 | H27 | 120.6° | 120.0° |
| C26 | C25 | C24 | H28 | 120.6° | 120.1° |
| C26 | C25 | C24 | C23 | 70.4° | 180.0° |
| C26 | C25 | C24 | H25 | 169.5° | 60.0° |
| C26 | C25 | C24 | H26 | 49.8° | 60.0° |
| C26 | C25 | H27 | H28 | 118.2° | 120.1° |
| C25 | C26 | H29 | H30 | 118.4° | 120.1° |
| C10 | C08 | C09 | N01 | 178.7° | 177.9° |
| C08 | C10 | C11 | H1 | 180.0° | 179.7° |
| C10 | C08 | C09 | C21 | 1.7° | 1.0° |
| C08 | C10 | C11 | C12 | 178.3° | 179.8° |
| C08 | C10 | C11 | C20 | 2.9° | 0.3° |
| C10 | C08 | N07 | H38 | 42.6° | 49.6° |
| C08 | C09 | N01 | C21 | 176.9° | 178.9° |
| C08 | C09 | N01 | C02 | 60.2° | 78.4° |
| C09 | C08 | C10 | C11 | 2.6° | 0.7° |
| C08 | C09 | C21 | C20 | 1.1° | 1.0° |
| C08 | C09 | C21 | C22 | 179.9° | 179.0° |
| C09 | C08 | C10 | H1 | 177.3° | 179.6° |
| C08 | C09 | N01 | H37 | 62.3° | 46.6° |
| C09 | C08 | N07 | H38 | 138.6° | 131.5° |
| C05 | C04 | C02 | N01 | 56.4° | 43.9° |
| C05 | C04 | C02 | H22 | 119.9° | 120.2° |
| C05 | C04 | C02 | H23 | 119.9° | 120.1° |
| C05 | C04 | C02 | H18 | 174.7° | 164.2° |
| C05 | C04 | H22 | H23 | 120.4° | 119.5° |
| C04 | C05 | N07 | H38 | 177.0° | 176.8° |
| C09 | N01 | C02 | H37 | 122.5° | 125.0° |
| C09 | N01 | C02 | C04 | 21.7° | 44.2° |
| N01 | C09 | C21 | C20 | 177.9° | 177.9° |
| N01 | C09 | C21 | C22 | 3.1° | 2.1° |
| C09 | N01 | C02 | H18 | 95.6° | 76.1° |
| C02 | N01 | C09 | C21 | 122.9° | 102.7° |
| N01 | C02 | C04 | H18 | 118.3° | 120.3° |
| N01 | C02 | C03 | H19 | 180.0° | 60.9° |
| N01 | C02 | C03 | H20 | 60.0° | 59.0° |
| N01 | C02 | C03 | H21 | 60.0° | 179.1° |
| N01 | C02 | C04 | H22 | 63.4° | 164.1° |
| N01 | C02 | C04 | H23 | 176.3° | 76.2° |
| C10 | C11 | C12 | C20 | 175.0° | 179.9° |
| C10 | C11 | C20 | C21 | 2.4° | 0.2° |
| C10 | C11 | C12 | O13 | 131.5° | 135.2° |
| C10 | C11 | C20 | H5 | 177.6° | 179.7° |
| C25 | C24 | C23 | C22 | 128.0° | 125.0° |
| C25 | C24 | C23 | H25 | 120.1° | 120.0° |
| C25 | C24 | C23 | H26 | 120.1° | 120.0° |
| C25 | C24 | C23 | H4 | 52.0° | 55.0° |
| C25 | C24 | H25 | H26 | 119.5° | 120.0° |
| C24 | C25 | H27 | H28 | 118.2° | 120.0° |
| C24 | C25 | C26 | H29 | 76.7° | 60.3° |
| C24 | C25 | C26 | H30 | 42.2° | 59.7° |
| C09 | C21 | C20 | C11 | 1.5° | 0.6° |
| C09 | C21 | C20 | C22 | 179.1° | 180.0° |
| C09 | C21 | C22 | C23 | 152.4° | 180.0° |
| C09 | C21 | C20 | H5 | 178.5° | 179.9° |
| C09 | C21 | C22 | H24 | 27.6° | 0.0° |
| C21 | C09 | N01 | H37 | 114.6° | 132.3° |
| C12 | C11 | C20 | C21 | 177.4° | 179.8° |
| C12 | C11 | C10 | H1 | 1.7° | 0.1° |
| C12 | C11 | C20 | H5 | 2.6° | 0.4° |
| C11 | C20 | C21 | H5 | 180.0° | 179.5° |
| C11 | C20 | C21 | C22 | 179.5° | 179.4° |
| C20 | C11 | C12 | O13 | 43.5° | 44.9° |
| C20 | C11 | C10 | H1 | 177.0° | 180.0° |
| C04 | C02 | C03 | H19 | 56.9° | 60.1° |
| C04 | C02 | C03 | H20 | 63.1° | 180.0° |
| C04 | C02 | C03 | H21 | 176.9° | 59.9° |
| C02 | C04 | H22 | H23 | 120.4° | 119.7° |
| C04 | C02 | N01 | H37 | 100.8° | 80.8° |
| C20 | C21 | C22 | C23 | 28.5° | 0.1° |
| C20 | C21 | C22 | H24 | 151.4° | 180.0° |
| C21 | C22 | C23 | H24 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 178.5° | 180.0° |
| C21 | C22 | C23 | H4 | 1.5° | 0.0° |
| C22 | C21 | C20 | H5 | 0.5° | 0.1° |
| C22 | C23 | C24 | H4 | 180.0° | 180.0° |
| C22 | C23 | C24 | H25 | 7.8° | 114.9° |
| C22 | C23 | C24 | H26 | 111.9° | 5.0° |
| C24 | C23 | C22 | H24 | 1.5° | 0.0° |
| C23 | C24 | H25 | H26 | 119.6° | 120.0° |
| C23 | C24 | C25 | H27 | 50.2° | 60.0° |
| C23 | C24 | C25 | H28 | 169.0° | 60.0° |
| H2 | C19 | C18 | H6 | 16.1° | 68.1° |
| H2 | C19 | C18 | H7 | 134.8° | 52.1° |
| H3 | C19 | C18 | H6 | 103.0° | 52.4° |
| H3 | C19 | C18 | H7 | 15.8° | 172.6° |
| H4 | C23 | C22 | H24 | 178.5° | 180.0° |
| H4 | C23 | C24 | H25 | 172.2° | 65.0° |
| H4 | C23 | C24 | H26 | 68.1° | 175.0° |
| H8 | C29 | C30 | H10 | 46.7° | 73.0° |
| H8 | C29 | C30 | H11 | 72.2° | 46.9° |
| H8 | C29 | C28 | H12 | 58.8° | 68.1° |
| H8 | C29 | C28 | H13 | 61.1° | 52.3° |
| H9 | C29 | C30 | H10 | 166.5° | 47.7° |
| H9 | C29 | C30 | H11 | 47.6° | 167.7° |
| H9 | C29 | C28 | H12 | 178.6° | 171.2° |
| H9 | C29 | C28 | H13 | 58.7° | 68.4° |
| H14 | C15 | C16 | H16 | 5.0° | 172.6° |
| H14 | C15 | C16 | H17 | 123.1° | 52.5° |
| H15 | C15 | C16 | H16 | 114.2° | 52.2° |
| H15 | C15 | C16 | H17 | 3.9° | 67.9° |
| H18 | C02 | C03 | H19 | 61.1° | 179.6° |
| H18 | C02 | C03 | H20 | 178.9° | 60.4° |
| H18 | C02 | C03 | H21 | 58.9° | 59.6° |
| H18 | C02 | C04 | H22 | 54.8° | 75.6° |
| H18 | C02 | C04 | H23 | 65.5° | 44.1° |
| H18 | C02 | N01 | H37 | 141.9° | 158.9° |
| H19 | C03 | H20 | H21 | 120.0° | 120.0° |
| H25 | C24 | C25 | H27 | 70.0° | 180.0° |
| H25 | C24 | C25 | H28 | 48.8° | 60.1° |
| H26 | C24 | C25 | H27 | 170.3° | 60.0° |
| H26 | C24 | C25 | H28 | 70.9° | 180.0° |
| H27 | C25 | C26 | H29 | 162.7° | 179.8° |
| H27 | C25 | C26 | H30 | 78.3° | 60.2° |
| H28 | C25 | C26 | H29 | 43.9° | 59.7° |
| H28 | C25 | C26 | H30 | 162.8° | 179.7° |
| H31 | C33 | C34 | H32 | 2.7° | 0.1° |
| H34 | C38 | H35 | H36 | 120.0° | 120.0° |
