52J
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N01 | C02 | sing | 1.38Å | 1.50Å | |
| C26 | C27 | doub | 1.38Å | 1.41Å | Aromatic |
| C26 | C25 | sing | 1.40Å | 1.42Å | Aromatic |
| C02 | N36 | doub | 1.33Å | 1.35Å | Aromatic |
| C02 | C03 | sing | 1.40Å | 1.40Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.37Å | Aromatic |
| N36 | C34 | sing | 1.33Å | 1.38Å | Aromatic |
| C04 | C03 | sing | 1.51Å | 1.49Å | |
| C04 | C05 | sing | 1.51Å | 1.57Å | |
| C19 | C25 | sing | 1.47Å | 1.49Å | |
| C19 | N18 | doub | 1.30Å | 1.44Å | |
| C25 | C24 | doub | 1.39Å | 1.38Å | Aromatic |
| C03 | C32 | doub | 1.38Å | 1.45Å | Aromatic |
| C28 | C29 | doub | 1.38Å | 1.43Å | Aromatic |
| C34 | N35 | sing | 1.38Å | 1.44Å | |
| C34 | N33 | doub | 1.33Å | 1.34Å | Aromatic |
| C05 | C31 | doub | 1.38Å | 1.37Å | Aromatic |
| C05 | C06 | sing | 1.39Å | 1.44Å | Aromatic |
| N18 | N17 | sing | 1.40Å | 1.35Å | |
| C24 | C29 | sing | 1.38Å | 1.40Å | Aromatic |
| C24 | C20 | sing | 1.51Å | 1.49Å | |
| C31 | C13 | sing | 1.40Å | 1.44Å | Aromatic |
| C32 | N33 | sing | 1.32Å | 1.36Å | Aromatic |
| C06 | C07 | doub | 1.39Å | 1.40Å | Aromatic |
| N17 | C20 | sing | 1.47Å | 1.43Å | |
| N17 | C16 | sing | 1.35Å | 1.43Å | |
| C15 | C16 | sing | 1.46Å | 1.49Å | |
| C15 | C14 | doub | 1.35Å | 1.41Å | |
| C13 | C14 | sing | 1.47Å | 1.56Å | |
| C13 | C10 | doub | 1.40Å | 1.41Å | Aromatic |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C07 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| C07 | O08 | sing | 1.36Å | 1.37Å | |
| C16 | O30 | doub | 1.22Å | 1.19Å | |
| C09 | O08 | sing | 1.43Å | 1.44Å | |
| C10 | O11 | sing | 1.36Å | 1.39Å | |
| C21 | C22 | sing | 1.53Å | 1.57Å | |
| O11 | C12 | sing | 1.43Å | 1.43Å | |
| C22 | C37 | sing | 1.53Å | 1.60Å | |
| C22 | C23 | sing | 1.53Å | 1.51Å | |
| N01 | H1 | sing | 0.97Å | 1.00Å | |
| N01 | H2 | sing | 0.97Å | 1.00Å | |
| C04 | H3 | sing | 1.09Å | 1.10Å | |
| C04 | H4 | sing | 1.09Å | 1.10Å | |
| C06 | H5 | sing | 1.08Å | 1.08Å | |
| C09 | H6 | sing | 1.09Å | 1.10Å | |
| C09 | H7 | sing | 1.09Å | 1.10Å | |
| C09 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C31 | H12 | sing | 1.08Å | 1.08Å | |
| C32 | H13 | sing | 1.08Å | 1.08Å | |
| N35 | H14 | sing | 0.97Å | 1.00Å | |
| N35 | H15 | sing | 0.97Å | 1.00Å | |
| C14 | H16 | sing | 1.08Å | 1.08Å | |
| C15 | H17 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C22 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C23 | H27 | sing | 1.09Å | 1.10Å | |
| C26 | H28 | sing | 1.08Å | 1.08Å | |
| C27 | H29 | sing | 1.08Å | 1.08Å | |
| C28 | H30 | sing | 1.08Å | 1.08Å | |
| C29 | H31 | sing | 1.08Å | 1.08Å | |
| C37 | H32 | sing | 1.09Å | 1.10Å | |
| C37 | H33 | sing | 1.09Å | 1.10Å | |
| C37 | H34 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N01 | C02 | N36 | 120.0° | 120.5° |
| N01 | C02 | C03 | 119.9° | 120.5° |
| C02 | N01 | H1 | 109.5° | 120.0° |
| C02 | N01 | H2 | 109.5° | 120.1° |
| C27 | C26 | C25 | 120.1° | 119.7° |
| C26 | C27 | C28 | 119.8° | 120.3° |
| C27 | C26 | H28 | 120.0° | 120.2° |
| C26 | C27 | H29 | 120.1° | 119.9° |
| C26 | C25 | C19 | 119.2° | 120.8° |
| C26 | C25 | C24 | 120.1° | 119.8° |
| C25 | C26 | H28 | 120.0° | 120.1° |
| N36 | C02 | C03 | 120.1° | 119.0° |
| C02 | N36 | C34 | 120.1° | 120.6° |
| C02 | C03 | C04 | 119.7° | 120.7° |
| C02 | C03 | C32 | 118.6° | 118.5° |
| C27 | C28 | C29 | 120.0° | 120.2° |
| C28 | C27 | H29 | 120.1° | 119.9° |
| C27 | C28 | H30 | 120.0° | 119.8° |
| N36 | C34 | N35 | 118.8° | 119.2° |
| N36 | C34 | N33 | 121.9° | 121.6° |
| C03 | C04 | C05 | 111.3° | 109.5° |
| C04 | C03 | C32 | 121.7° | 120.7° |
| C03 | C04 | H3 | 109.0° | 109.5° |
| C03 | C04 | H4 | 109.0° | 109.5° |
| C04 | C05 | C31 | 120.7° | 119.8° |
| C04 | C05 | C06 | 119.4° | 119.8° |
| C05 | C04 | H3 | 109.0° | 109.4° |
| C05 | C04 | H4 | 109.0° | 109.5° |
| C25 | C19 | N18 | 114.4° | 119.8° |
| C19 | C25 | C24 | 120.7° | 119.5° |
| C25 | C19 | H19 | 122.8° | 120.1° |
| C19 | N18 | N17 | 113.4° | 120.0° |
| N18 | C19 | H19 | 122.8° | 120.1° |
| C25 | C24 | C29 | 120.0° | 119.9° |
| C25 | C24 | C20 | 119.8° | 119.3° |
| C03 | C32 | N33 | 118.8° | 119.3° |
| C03 | C32 | H13 | 120.6° | 120.4° |
| C28 | C29 | C24 | 120.0° | 120.2° |
| C29 | C28 | H30 | 120.0° | 120.0° |
| C28 | C29 | H31 | 120.0° | 119.7° |
| N35 | C34 | N33 | 119.3° | 119.2° |
| C34 | N35 | H14 | 109.5° | 119.9° |
| C34 | N35 | H15 | 109.5° | 120.1° |
| C34 | N33 | C32 | 120.5° | 120.9° |
| C31 | C05 | C06 | 120.0° | 120.4° |
| C05 | C31 | C13 | 119.8° | 119.9° |
| C05 | C31 | H12 | 120.1° | 120.0° |
| C05 | C06 | C07 | 120.3° | 120.4° |
| C05 | C06 | H5 | 119.9° | 119.8° |
| N18 | N17 | C20 | 119.0° | 119.6° |
| N18 | N17 | C16 | 120.8° | 120.2° |
| C29 | C24 | C20 | 120.2° | 120.8° |
| C24 | C29 | H31 | 120.0° | 120.0° |
| C24 | C20 | N17 | 111.5° | 108.6° |
| C24 | C20 | C21 | 109.4° | 109.6° |
| C24 | C20 | H21 | 108.8° | 109.7° |
| C31 | C13 | C14 | 120.2° | 120.2° |
| C31 | C13 | C10 | 119.9° | 119.7° |
| C13 | C31 | H12 | 120.1° | 120.0° |
| N33 | C32 | H13 | 120.5° | 120.4° |
| C06 | C07 | C10 | 120.0° | 120.0° |
| C06 | C07 | O08 | 119.8° | 119.9° |
| C07 | C06 | H5 | 119.8° | 119.8° |
| C20 | N17 | C16 | 120.2° | 120.2° |
| N17 | C20 | C21 | 109.1° | 109.6° |
| N17 | C20 | H21 | 109.7° | 109.7° |
| N17 | C16 | C15 | 120.3° | 120.0° |
| N17 | C16 | O30 | 119.8° | 120.0° |
| C16 | C15 | C14 | 119.9° | 120.0° |
| C15 | C16 | O30 | 120.0° | 120.0° |
| C16 | C15 | H17 | 120.1° | 120.0° |
| C15 | C14 | C13 | 120.5° | 120.0° |
| C15 | C14 | H16 | 119.7° | 120.0° |
| C14 | C15 | H17 | 120.1° | 120.0° |
| C14 | C13 | C10 | 119.9° | 120.2° |
| C13 | C14 | H16 | 119.7° | 120.0° |
| C13 | C10 | C07 | 120.0° | 119.7° |
| C13 | C10 | O11 | 120.2° | 120.2° |
| C20 | C21 | C22 | 117.6° | 109.4° |
| C21 | C20 | H21 | 108.4° | 109.6° |
| C20 | C21 | H22 | 107.4° | 109.5° |
| C20 | C21 | H23 | 107.4° | 109.5° |
| C10 | C07 | O08 | 120.2° | 120.1° |
| C07 | C10 | O11 | 119.9° | 120.1° |
| C07 | O08 | C09 | 119.3° | 117.0° |
| O08 | C09 | H6 | 109.5° | 109.4° |
| O08 | C09 | H7 | 109.5° | 109.4° |
| O08 | C09 | H8 | 109.5° | 109.5° |
| C10 | O11 | C12 | 119.6° | 117.0° |
| C21 | C22 | C37 | 113.7° | 109.5° |
| C21 | C22 | C23 | 113.5° | 109.5° |
| C22 | C21 | H22 | 107.4° | 109.5° |
| C22 | C21 | H23 | 107.4° | 109.4° |
| C21 | C22 | H24 | 104.8° | 109.5° |
| O11 | C12 | H9 | 109.5° | 109.5° |
| O11 | C12 | H10 | 109.5° | 109.5° |
| O11 | C12 | H11 | 109.5° | 109.5° |
| C37 | C22 | C23 | 113.8° | 109.5° |
| C37 | C22 | H24 | 104.4° | 109.4° |
| C22 | C37 | H32 | 109.5° | 109.4° |
| C22 | C37 | H33 | 109.4° | 109.5° |
| C22 | C37 | H34 | 109.4° | 109.5° |
| C23 | C22 | H24 | 105.4° | 109.5° |
| C22 | C23 | H25 | 109.5° | 109.4° |
| C22 | C23 | H26 | 109.4° | 109.5° |
| C22 | C23 | H27 | 109.4° | 109.4° |
| H1 | N01 | H2 | 109.5° | 119.9° |
| H3 | C04 | H4 | 109.4° | 109.5° |
| H6 | C09 | H7 | 109.4° | 109.5° |
| H6 | C09 | H8 | 109.5° | 109.5° |
| H7 | C09 | H8 | 109.5° | 109.5° |
| H9 | C12 | H10 | 109.5° | 109.5° |
| H9 | C12 | H11 | 109.5° | 109.5° |
| H10 | C12 | H11 | 109.5° | 109.4° |
| H14 | N35 | H15 | 109.4° | 120.0° |
| H22 | C21 | H23 | 109.5° | 109.5° |
| H25 | C23 | H26 | 109.5° | 109.5° |
| H25 | C23 | H27 | 109.5° | 109.4° |
| H26 | C23 | H27 | 109.5° | 109.5° |
| H32 | C37 | H33 | 109.4° | 109.5° |
| H32 | C37 | H34 | 109.5° | 109.5° |
| H33 | C37 | H34 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N01 | C02 | N36 | C03 | 179.9° | 179.7° |
| N01 | C02 | N36 | C34 | 180.0° | 179.8° |
| N01 | C02 | C03 | C04 | 0.1° | 0.0° |
| N01 | C02 | C03 | C32 | 179.9° | 180.0° |
| C02 | N01 | H1 | H2 | 120.0° | 179.7° |
| C27 | C26 | C25 | H28 | 180.0° | 180.0° |
| C26 | C27 | C28 | H29 | 180.0° | 180.0° |
| C27 | C26 | C25 | C19 | 179.9° | 179.2° |
| C27 | C26 | C25 | C24 | 0.0° | 0.8° |
| C26 | C27 | C28 | C29 | 0.0° | 0.7° |
| C26 | C27 | C28 | H30 | 180.0° | 179.7° |
| C25 | C26 | C27 | C28 | 0.0° | 0.0° |
| C26 | C25 | C19 | C24 | 179.9° | 180.0° |
| C26 | C25 | C19 | N18 | 168.7° | 166.3° |
| C26 | C25 | C24 | C29 | 0.1° | 0.9° |
| C26 | C25 | C24 | C20 | 180.0° | 179.0° |
| C26 | C25 | C19 | H19 | 11.3° | 13.7° |
| C25 | C26 | C27 | H29 | 180.0° | 180.0° |
| N36 | C02 | C03 | C04 | 180.0° | 179.7° |
| N36 | C02 | C03 | C32 | 0.1° | 0.2° |
| C02 | N36 | C34 | N35 | 180.0° | 179.7° |
| C02 | N36 | C34 | N33 | 0.0° | 0.5° |
| N36 | C02 | N01 | H1 | 0.0° | 0.0° |
| N36 | C02 | N01 | H2 | 120.0° | 179.7° |
| C03 | C02 | N36 | C34 | 0.1° | 0.5° |
| C02 | C03 | C04 | C32 | 179.8° | 180.0° |
| C02 | C03 | C04 | C05 | 166.4° | 85.0° |
| C02 | C03 | C32 | N33 | 0.1° | 0.0° |
| C03 | C02 | N01 | H1 | 179.9° | 179.7° |
| C03 | C02 | N01 | H2 | 60.1° | 0.0° |
| C02 | C03 | C04 | H3 | 46.1° | 155.0° |
| C02 | C03 | C04 | H4 | 73.3° | 35.0° |
| C02 | C03 | C32 | H13 | 179.9° | 179.9° |
| C27 | C28 | C29 | H30 | 180.0° | 179.6° |
| C27 | C28 | C29 | C24 | 0.0° | 0.5° |
| C28 | C27 | C26 | H28 | 180.0° | 180.0° |
| C27 | C28 | C29 | H31 | 180.0° | 180.0° |
| N36 | C34 | N35 | N33 | 180.0° | 179.7° |
| N36 | C34 | N33 | C32 | 0.0° | 0.3° |
| N36 | C34 | N35 | H14 | 0.0° | 179.7° |
| N36 | C34 | N35 | H15 | 120.0° | 0.3° |
| C03 | C04 | C05 | H3 | 120.3° | 120.0° |
| C03 | C04 | C05 | H4 | 120.3° | 120.0° |
| C03 | C04 | C05 | C31 | 48.3° | 90.0° |
| C03 | C04 | C05 | C06 | 132.1° | 89.7° |
| C04 | C03 | C32 | N33 | 180.0° | 180.0° |
| C03 | C04 | H3 | H4 | 119.1° | 120.0° |
| C04 | C03 | C32 | H13 | 0.0° | 0.1° |
| C05 | C04 | C03 | C32 | 13.8° | 95.0° |
| C04 | C05 | C31 | C06 | 179.6° | 179.7° |
| C04 | C05 | C31 | C13 | 179.8° | 179.8° |
| C04 | C05 | C06 | C07 | 179.8° | 180.0° |
| C05 | C04 | H3 | H4 | 119.2° | 120.0° |
| C04 | C05 | C06 | H5 | 0.2° | 0.1° |
| C04 | C05 | C31 | H12 | 0.2° | 0.0° |
| C25 | C19 | N18 | H19 | 180.0° | 180.0° |
| C25 | C19 | N18 | N17 | 37.9° | 1.3° |
| C19 | C25 | C24 | C29 | 180.0° | 179.1° |
| C19 | C25 | C24 | C20 | 0.1° | 1.0° |
| C19 | C25 | C26 | H28 | 0.1° | 0.8° |
| N18 | C19 | C25 | C24 | 11.5° | 13.7° |
| C19 | N18 | N17 | C20 | 56.8° | 31.7° |
| C19 | N18 | N17 | C16 | 123.1° | 147.9° |
| C25 | C24 | C29 | C28 | 0.1° | 0.3° |
| C25 | C24 | C29 | C20 | 179.9° | 179.9° |
| C25 | C24 | C20 | N17 | 13.6° | 26.6° |
| C25 | C24 | C20 | C21 | 107.2° | 93.1° |
| C24 | C25 | C19 | H19 | 168.6° | 166.3° |
| C25 | C24 | C20 | H21 | 134.6° | 146.5° |
| C24 | C25 | C26 | H28 | 180.0° | 179.2° |
| C25 | C24 | C29 | H31 | 179.9° | 179.1° |
| C03 | C32 | N33 | C34 | 0.1° | 0.0° |
| C03 | C32 | N33 | H13 | 180.0° | 179.9° |
| C32 | C03 | C04 | H3 | 134.1° | 25.0° |
| C32 | C03 | C04 | H4 | 106.5° | 145.0° |
| C28 | C29 | C24 | H31 | 180.0° | 179.4° |
| C28 | C29 | C24 | C20 | 180.0° | 179.6° |
| C29 | C28 | C27 | H29 | 180.0° | 179.3° |
| N35 | C34 | N33 | C32 | 180.0° | 180.0° |
| C34 | N35 | H14 | H15 | 120.0° | 180.0° |
| C34 | N33 | C32 | H13 | 179.9° | 179.9° |
| N33 | C34 | N35 | H14 | 180.0° | 0.0° |
| N33 | C34 | N35 | H15 | 60.0° | 180.0° |
| C05 | C31 | C13 | H12 | 180.0° | 179.7° |
| C31 | C05 | C06 | C07 | 0.2° | 0.3° |
| C05 | C31 | C13 | C14 | 179.8° | 179.7° |
| C05 | C31 | C13 | C10 | 0.1° | 0.5° |
| C31 | C05 | C04 | H3 | 72.0° | 30.0° |
| C31 | C05 | C04 | H4 | 168.6° | 150.0° |
| C31 | C05 | C06 | H5 | 179.8° | 179.7° |
| C06 | C05 | C31 | C13 | 0.2° | 0.6° |
| C05 | C06 | C07 | H5 | 180.0° | 179.9° |
| C05 | C06 | C07 | C10 | 0.1° | 0.0° |
| C05 | C06 | C07 | O08 | 179.9° | 179.9° |
| C06 | C05 | C04 | H3 | 107.6° | 150.3° |
| C06 | C05 | C04 | H4 | 11.8° | 30.3° |
| C06 | C05 | C31 | H12 | 179.8° | 179.7° |
| N18 | N17 | C20 | C24 | 43.2° | 42.4° |
| N18 | N17 | C20 | C16 | 179.9° | 179.7° |
| N18 | N17 | C16 | C15 | 0.0° | 0.3° |
| N18 | N17 | C20 | C21 | 77.7° | 77.2° |
| N18 | N17 | C16 | O30 | 180.0° | 179.7° |
| N17 | N18 | C19 | H19 | 142.1° | 178.7° |
| N18 | N17 | C20 | H21 | 163.7° | 162.4° |
| C29 | C24 | C20 | N17 | 166.5° | 153.5° |
| C29 | C24 | C20 | C21 | 72.7° | 86.8° |
| C29 | C24 | C20 | H21 | 45.5° | 33.6° |
| C24 | C29 | C28 | H30 | 180.0° | 179.8° |
| C24 | C20 | N17 | C21 | 120.9° | 119.7° |
| C24 | C20 | N17 | H21 | 120.5° | 119.9° |
| C24 | C20 | N17 | C16 | 136.7° | 137.2° |
| C24 | C20 | C21 | H21 | 118.5° | 120.5° |
| C24 | C20 | C21 | C22 | 68.3° | 175.8° |
| C24 | C20 | C21 | H22 | 170.5° | 64.1° |
| C24 | C20 | C21 | H23 | 52.9° | 55.9° |
| C20 | C24 | C29 | H31 | 0.0° | 0.9° |
| C31 | C13 | C14 | C15 | 44.2° | 0.3° |
| C31 | C13 | C14 | C10 | 179.9° | 179.7° |
| C31 | C13 | C10 | C07 | 0.1° | 0.2° |
| C31 | C13 | C10 | O11 | 180.0° | 179.7° |
| C31 | C13 | C14 | H16 | 135.8° | 179.8° |
| C06 | C07 | C10 | C13 | 0.0° | 0.0° |
| C06 | C07 | C10 | O08 | 179.9° | 180.0° |
| C06 | C07 | O08 | C09 | 18.9° | 0.0° |
| C06 | C07 | C10 | O11 | 180.0° | 179.9° |
| C20 | N17 | C16 | C15 | 179.9° | 180.0° |
| N17 | C20 | C21 | H21 | 119.4° | 120.4° |
| C20 | N17 | C16 | O30 | 0.1° | 0.1° |
| N17 | C20 | C21 | C22 | 169.5° | 65.1° |
| N17 | C20 | C21 | H22 | 48.4° | 55.0° |
| N17 | C20 | C21 | H23 | 69.3° | 175.0° |
| N17 | C16 | C15 | O30 | 180.0° | 179.9° |
| N17 | C16 | C15 | C14 | 143.6° | 180.0° |
| C16 | N17 | C20 | C21 | 102.4° | 103.1° |
| N17 | C16 | C15 | H17 | 36.4° | 0.0° |
| C16 | N17 | C20 | H21 | 16.1° | 17.3° |
| C16 | C15 | C14 | H17 | 180.0° | 180.0° |
| C16 | C15 | C14 | C13 | 169.5° | 180.0° |
| C16 | C15 | C14 | H16 | 10.5° | 0.0° |
| C15 | C14 | C13 | H16 | 180.0° | 179.9° |
| C15 | C14 | C13 | C10 | 135.9° | 180.0° |
| C14 | C15 | C16 | O30 | 36.4° | 0.0° |
| C14 | C13 | C10 | C07 | 180.0° | 180.0° |
| C14 | C13 | C10 | O11 | 0.1° | 0.1° |
| C14 | C13 | C31 | H12 | 0.1° | 0.0° |
| C13 | C14 | C15 | H17 | 10.5° | 0.0° |
| C13 | C10 | C07 | O11 | 180.0° | 179.9° |
| C13 | C10 | C07 | O08 | 180.0° | 180.0° |
| C13 | C10 | O11 | C12 | 72.8° | 90.0° |
| C10 | C13 | C31 | H12 | 180.0° | 179.7° |
| C10 | C13 | C14 | H16 | 44.1° | 0.0° |
| C20 | C21 | C22 | H22 | 121.2° | 120.0° |
| C20 | C21 | C22 | H23 | 121.2° | 120.0° |
| C20 | C21 | C22 | C37 | 151.5° | 65.0° |
| C20 | C21 | C22 | C23 | 76.4° | 175.0° |
| C20 | C21 | H22 | H23 | 116.3° | 120.1° |
| C20 | C21 | C22 | H24 | 38.1° | 55.0° |
| C10 | C07 | O08 | C09 | 161.0° | 180.0° |
| C07 | C10 | O11 | C12 | 107.3° | 89.9° |
| C10 | C07 | C06 | H5 | 179.9° | 180.0° |
| O08 | C07 | C10 | O11 | 0.0° | 0.1° |
| O08 | C07 | C06 | H5 | 0.2° | 0.0° |
| C07 | O08 | C09 | H6 | 180.0° | 60.0° |
| C07 | O08 | C09 | H7 | 60.0° | 180.0° |
| C07 | O08 | C09 | H8 | 60.0° | 60.0° |
| O30 | C16 | C15 | H17 | 143.6° | 180.0° |
| O08 | C09 | H6 | H7 | 120.0° | 119.9° |
| O08 | C09 | H6 | H8 | 120.0° | 120.0° |
| O08 | C09 | H7 | H8 | 120.0° | 120.0° |
| C10 | O11 | C12 | H9 | 180.0° | 60.0° |
| C10 | O11 | C12 | H10 | 60.0° | 60.1° |
| C10 | O11 | C12 | H11 | 60.0° | 180.0° |
| C21 | C22 | C37 | C23 | 132.0° | 120.0° |
| C21 | C22 | C37 | H24 | 113.6° | 120.0° |
| C21 | C22 | C23 | H24 | 114.1° | 120.0° |
| C22 | C21 | C20 | H21 | 50.2° | 55.4° |
| C22 | C21 | H22 | H23 | 116.3° | 119.9° |
| C21 | C22 | C23 | H25 | 180.0° | 60.0° |
| C21 | C22 | C23 | H26 | 60.0° | 180.0° |
| C21 | C22 | C23 | H27 | 60.0° | 59.9° |
| C21 | C22 | C37 | H32 | 180.0° | 60.0° |
| C21 | C22 | C37 | H33 | 60.0° | 60.0° |
| C21 | C22 | C37 | H34 | 60.0° | 180.0° |
| O11 | C12 | H9 | H10 | 120.0° | 120.0° |
| O11 | C12 | H9 | H11 | 120.0° | 120.0° |
| O11 | C12 | H10 | H11 | 120.0° | 120.0° |
| C37 | C22 | C23 | H24 | 113.8° | 120.0° |
| C37 | C22 | C21 | H22 | 87.4° | 175.0° |
| C37 | C22 | C21 | H23 | 30.3° | 55.0° |
| C37 | C22 | C23 | H25 | 47.9° | 60.1° |
| C37 | C22 | C23 | H26 | 167.9° | 60.0° |
| C37 | C22 | C23 | H27 | 72.1° | 180.0° |
| C22 | C37 | H32 | H33 | 120.0° | 120.0° |
| C22 | C37 | H32 | H34 | 120.0° | 120.0° |
| C22 | C37 | H33 | H34 | 120.0° | 120.0° |
| C23 | C22 | C21 | H22 | 44.8° | 55.0° |
| C23 | C22 | C21 | H23 | 162.5° | 65.0° |
| C22 | C23 | H25 | H26 | 120.0° | 120.0° |
| C22 | C23 | H25 | H27 | 120.0° | 119.9° |
| C22 | C23 | H26 | H27 | 120.0° | 120.0° |
| C23 | C22 | C37 | H32 | 48.0° | 60.0° |
| C23 | C22 | C37 | H33 | 72.0° | 180.0° |
| C23 | C22 | C37 | H34 | 168.0° | 60.0° |
| H6 | C09 | H7 | H8 | 120.0° | 120.0° |
| H9 | C12 | H10 | H11 | 120.0° | 119.9° |
| H16 | C14 | C15 | H17 | 169.5° | 180.0° |
| H21 | C20 | C21 | H22 | 71.0° | 175.4° |
| H21 | C20 | C21 | H23 | 171.3° | 64.6° |
| H22 | C21 | C22 | H24 | 159.3° | 65.0° |
| H23 | C21 | C22 | H24 | 83.1° | 175.0° |
| H24 | C22 | C23 | H25 | 65.9° | 180.0° |
| H24 | C22 | C23 | H26 | 54.1° | 60.0° |
| H24 | C22 | C23 | H27 | 174.1° | 60.1° |
| H24 | C22 | C37 | H32 | 66.5° | 180.0° |
| H24 | C22 | C37 | H33 | 173.6° | 60.0° |
| H24 | C22 | C37 | H34 | 53.5° | 60.0° |
| H25 | C23 | H26 | H27 | 120.0° | 120.0° |
| H28 | C26 | C27 | H29 | 0.1° | 0.0° |
| H29 | C27 | C28 | H30 | 0.0° | 0.3° |
| H30 | C28 | C29 | H31 | 0.0° | 0.4° |
| H32 | C37 | H33 | H34 | 120.0° | 120.0° |
