0U5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N01 | HN01 | sing | 0.97Å | 1.00Å | |
| N01 | HN0A | sing | 0.97Å | 1.00Å | |
| C02 | N01 | sing | 1.39Å | 1.45Å | |
| C02 | N36 | sing | 1.33Å | 1.34Å | Aromatic |
| C03 | C02 | doub | 1.40Å | 1.43Å | Aromatic |
| C04 | C03 | sing | 1.51Å | 1.54Å | |
| C04 | H04 | sing | 1.09Å | 1.10Å | |
| C04 | H04A | sing | 1.09Å | 1.10Å | |
| C05 | C04 | sing | 1.51Å | 1.54Å | |
| C05 | C31 | sing | 1.38Å | 1.40Å | Aromatic |
| C06 | C05 | doub | 1.38Å | 1.41Å | Aromatic |
| C06 | H06 | sing | 1.08Å | 1.08Å | |
| C07 | C06 | sing | 1.39Å | 1.40Å | Aromatic |
| C07 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
| O08 | C07 | sing | 1.36Å | 1.39Å | |
| C09 | O08 | sing | 1.43Å | 1.40Å | |
| C09 | H09 | sing | 1.09Å | 1.10Å | |
| C09 | H09A | sing | 1.09Å | 1.10Å | |
| C09 | H09B | sing | 1.09Å | 1.10Å | |
| C10 | C13 | sing | 1.40Å | 1.41Å | Aromatic |
| O11 | C10 | sing | 1.36Å | 1.39Å | |
| C12 | O11 | sing | 1.43Å | 1.40Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C12 | H12B | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.47Å | 1.54Å | |
| C13 | C31 | doub | 1.40Å | 1.39Å | Aromatic |
| C14 | C15 | doub | 1.35Å | 1.40Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | C16 | sing | 1.46Å | 1.54Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | N17 | sing | 1.35Å | 1.44Å | |
| N17 | C20 | sing | 1.47Å | 1.46Å | |
| N17 | N18 | sing | 1.40Å | 1.37Å | |
| N18 | C19 | doub | 1.30Å | 1.43Å | |
| C19 | C25 | sing | 1.47Å | 1.50Å | |
| C20 | C24 | sing | 1.51Å | 1.50Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | C20 | sing | 1.51Å | 1.55Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | C21 | doub | 1.31Å | 1.54Å | |
| C22 | C37 | sing | 1.51Å | 1.55Å | |
| C23 | C22 | sing | 1.51Å | 1.46Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | C29 | doub | 1.38Å | 1.43Å | Aromatic |
| C24 | C25 | sing | 1.39Å | 1.38Å | Aromatic |
| C25 | C26 | doub | 1.40Å | 1.44Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.40Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C28 | C27 | doub | 1.38Å | 1.41Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | C28 | sing | 1.38Å | 1.41Å | Aromatic |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| O30 | C16 | doub | 1.22Å | 1.21Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C32 | C03 | sing | 1.38Å | 1.44Å | Aromatic |
| C32 | N33 | doub | 1.32Å | 1.36Å | Aromatic |
| N33 | C34 | sing | 1.33Å | 1.34Å | Aromatic |
| C34 | N35 | sing | 1.38Å | 1.45Å | |
| C34 | N36 | doub | 1.32Å | 1.35Å | Aromatic |
| N35 | HN35 | sing | 0.97Å | 1.00Å | |
| N35 | HN3A | sing | 0.97Å | 1.00Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C37 | H37A | sing | 1.09Å | 1.10Å | |
| C37 | H37B | sing | 1.09Å | 1.10Å | |
| C38 | C32 | sing | 1.51Å | 1.54Å | |
| C38 | C39 | sing | 1.53Å | 1.52Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| C38 | H38A | sing | 1.09Å | 1.10Å | |
| C39 | H39 | sing | 1.09Å | 1.10Å | |
| C39 | H36 | sing | 1.09Å | 1.10Å | |
| C40 | C39 | sing | 1.53Å | 1.51Å | |
| C40 | H40 | sing | 1.09Å | 1.10Å | |
| C40 | H40A | sing | 1.09Å | 1.10Å | |
| C40 | H391 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| HN01 | N01 | HN0A | 109.5° | 119.9° |
| HN01 | N01 | C02 | 109.5° | 120.0° |
| HN0A | N01 | C02 | 109.5° | 120.1° |
| N01 | C02 | N36 | 116.7° | 120.5° |
| N01 | C02 | C03 | 122.2° | 120.5° |
| N36 | C02 | C03 | 121.1° | 119.1° |
| C02 | N36 | C34 | 121.3° | 120.6° |
| C02 | C03 | C04 | 116.4° | 120.7° |
| C02 | C03 | C32 | 115.9° | 118.5° |
| C03 | C04 | H04 | 107.7° | 109.5° |
| C03 | C04 | H04A | 107.7° | 109.5° |
| C03 | C04 | C05 | 116.5° | 109.5° |
| C04 | C03 | C32 | 127.7° | 120.8° |
| H04 | C04 | H04A | 109.5° | 109.4° |
| H04 | C04 | C05 | 107.7° | 109.5° |
| H04A | C04 | C05 | 107.7° | 109.5° |
| C04 | C05 | C31 | 119.2° | 119.8° |
| C04 | C05 | C06 | 120.2° | 119.8° |
| C31 | C05 | C06 | 120.6° | 120.3° |
| C05 | C31 | C13 | 119.6° | 120.0° |
| C05 | C31 | H31 | 120.2° | 120.0° |
| C05 | C06 | H06 | 120.1° | 119.8° |
| C05 | C06 | C07 | 119.8° | 120.4° |
| H06 | C06 | C07 | 120.1° | 119.7° |
| C06 | C07 | C10 | 119.4° | 120.0° |
| C06 | C07 | O08 | 119.0° | 120.0° |
| C10 | C07 | O08 | 121.6° | 120.0° |
| C07 | C10 | C13 | 120.7° | 119.7° |
| C07 | C10 | O11 | 121.8° | 120.1° |
| C07 | O08 | C09 | 120.1° | 117.0° |
| O08 | C09 | H09 | 109.5° | 109.5° |
| O08 | C09 | H09A | 109.5° | 109.4° |
| O08 | C09 | H09B | 109.5° | 109.5° |
| H09 | C09 | H09A | 109.5° | 109.4° |
| H09 | C09 | H09B | 109.5° | 109.5° |
| H09A | C09 | H09B | 109.4° | 109.5° |
| C13 | C10 | O11 | 117.5° | 120.2° |
| C10 | C13 | C14 | 118.8° | 120.2° |
| C10 | C13 | C31 | 119.9° | 119.6° |
| C10 | O11 | C12 | 118.3° | 117.0° |
| O11 | C12 | H12 | 109.5° | 109.5° |
| O11 | C12 | H12A | 109.4° | 109.4° |
| O11 | C12 | H12B | 109.5° | 109.5° |
| H12 | C12 | H12A | 109.5° | 109.5° |
| H12 | C12 | H12B | 109.5° | 109.5° |
| H12A | C12 | H12B | 109.4° | 109.5° |
| C14 | C13 | C31 | 121.4° | 120.2° |
| C13 | C14 | C15 | 124.3° | 120.0° |
| C13 | C14 | H14 | 117.9° | 120.0° |
| C13 | C31 | H31 | 120.2° | 120.0° |
| C15 | C14 | H14 | 117.8° | 120.0° |
| C14 | C15 | C16 | 117.1° | 120.0° |
| C14 | C15 | H15 | 121.4° | 120.0° |
| C16 | C15 | H15 | 121.4° | 120.0° |
| C15 | C16 | N17 | 120.2° | 120.0° |
| C15 | C16 | O30 | 118.9° | 120.0° |
| C16 | N17 | C20 | 121.1° | 120.2° |
| C16 | N17 | N18 | 116.7° | 120.3° |
| N17 | C16 | O30 | 120.9° | 120.0° |
| C20 | N17 | N18 | 122.2° | 119.5° |
| N17 | C20 | C24 | 112.1° | 108.5° |
| N17 | C20 | H20 | 108.7° | 109.7° |
| N17 | C20 | C21 | 112.9° | 109.7° |
| N17 | N18 | C19 | 118.1° | 119.9° |
| N18 | C19 | C25 | 113.4° | 119.5° |
| N18 | C19 | H19 | 123.3° | 120.3° |
| C19 | C25 | C24 | 118.9° | 119.5° |
| C19 | C25 | C26 | 120.9° | 120.8° |
| C25 | C19 | H19 | 123.3° | 120.2° |
| C24 | C20 | H20 | 108.1° | 109.6° |
| C24 | C20 | C21 | 107.4° | 109.6° |
| C20 | C24 | C29 | 121.2° | 120.9° |
| C20 | C24 | C25 | 118.3° | 119.2° |
| H20 | C20 | C21 | 107.5° | 109.8° |
| C20 | C21 | H21 | 120.7° | 120.0° |
| C20 | C21 | C22 | 118.5° | 120.0° |
| H21 | C21 | C22 | 120.7° | 120.0° |
| C21 | C22 | C37 | 114.2° | 120.0° |
| C21 | C22 | C23 | 127.1° | 120.0° |
| C37 | C22 | C23 | 115.9° | 120.0° |
| C22 | C37 | H37 | 109.5° | 109.4° |
| C22 | C37 | H37A | 109.5° | 109.5° |
| C22 | C37 | H37B | 109.5° | 109.4° |
| C22 | C23 | H23 | 109.5° | 109.5° |
| C22 | C23 | H23A | 109.5° | 109.5° |
| C22 | C23 | H22 | 109.4° | 109.5° |
| H23 | C23 | H23A | 109.4° | 109.4° |
| H23 | C23 | H22 | 109.5° | 109.5° |
| H23A | C23 | H22 | 109.5° | 109.4° |
| C29 | C24 | C25 | 120.5° | 119.9° |
| C24 | C29 | C28 | 119.4° | 120.4° |
| C24 | C29 | H29 | 120.3° | 120.0° |
| C24 | C25 | C26 | 120.2° | 119.7° |
| C25 | C26 | C27 | 119.4° | 119.6° |
| C25 | C26 | H26 | 120.3° | 120.1° |
| C27 | C26 | H26 | 120.3° | 120.3° |
| C26 | C27 | H27 | 119.8° | 119.9° |
| C26 | C27 | C28 | 120.3° | 120.3° |
| H27 | C27 | C28 | 119.9° | 119.8° |
| C27 | C28 | H28 | 119.9° | 119.8° |
| C27 | C28 | C29 | 120.2° | 120.1° |
| H28 | C28 | C29 | 119.9° | 120.1° |
| C28 | C29 | H29 | 120.3° | 119.7° |
| C03 | C32 | N33 | 118.8° | 119.3° |
| C03 | C32 | C38 | 127.6° | 120.4° |
| C32 | N33 | C34 | 122.6° | 120.9° |
| N33 | C32 | C38 | 113.6° | 120.3° |
| N33 | C34 | N35 | 120.0° | 119.2° |
| N33 | C34 | N36 | 120.3° | 121.6° |
| N35 | C34 | N36 | 119.7° | 119.2° |
| C34 | N35 | HN35 | 109.5° | 120.0° |
| C34 | N35 | HN3A | 109.5° | 120.0° |
| HN35 | N35 | HN3A | 109.5° | 120.0° |
| H37 | C37 | H37A | 109.4° | 109.5° |
| H37 | C37 | H37B | 109.4° | 109.5° |
| H37A | C37 | H37B | 109.5° | 109.5° |
| C32 | C38 | C39 | 114.3° | 109.5° |
| C32 | C38 | H38 | 108.3° | 109.5° |
| C32 | C38 | H38A | 108.3° | 109.5° |
| C39 | C38 | H38 | 108.2° | 109.5° |
| C39 | C38 | H38A | 108.3° | 109.5° |
| C38 | C39 | H39 | 106.8° | 109.5° |
| C38 | C39 | H36 | 106.8° | 109.5° |
| C38 | C39 | C40 | 120.0° | 109.4° |
| H38 | C38 | H38A | 109.5° | 109.4° |
| H39 | C39 | H36 | 109.5° | 109.5° |
| H39 | C39 | C40 | 106.8° | 109.5° |
| H36 | C39 | C40 | 106.8° | 109.5° |
| C39 | C40 | H40 | 109.5° | 109.5° |
| C39 | C40 | H40A | 109.5° | 109.5° |
| C39 | C40 | H391 | 109.5° | 109.5° |
| H40 | C40 | H40A | 109.4° | 109.5° |
| H40 | C40 | H391 | 109.5° | 109.5° |
| H40A | C40 | H391 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| HN01 | N01 | HN0A | C02 | 120.1° | 179.7° |
| HN01 | N01 | C02 | N36 | 0.0° | 0.0° |
| HN01 | N01 | C02 | C03 | 179.7° | 179.7° |
| HN0A | N01 | C02 | N36 | 120.0° | 179.7° |
| HN0A | N01 | C02 | C03 | 59.6° | 0.0° |
| N01 | C02 | N36 | C03 | 179.7° | 179.7° |
| N01 | C02 | C03 | C04 | 0.4° | 0.0° |
| N01 | C02 | C03 | C32 | 178.9° | 180.0° |
| N01 | C02 | N36 | C34 | 179.7° | 179.7° |
| N36 | C02 | C03 | C04 | 179.9° | 179.7° |
| N36 | C02 | C03 | C32 | 0.8° | 0.3° |
| C02 | N36 | C34 | N33 | 0.8° | 0.6° |
| C02 | N36 | C34 | N35 | 179.8° | 179.7° |
| C02 | C03 | C04 | C32 | 179.2° | 180.0° |
| C02 | C03 | C04 | H04 | 54.0° | 35.4° |
| C02 | C03 | C04 | H04A | 64.0° | 155.4° |
| C02 | C03 | C04 | C05 | 175.0° | 84.6° |
| C02 | C03 | C32 | N33 | 0.9° | 0.0° |
| C03 | C02 | N36 | C34 | 0.1° | 0.5° |
| C02 | C03 | C32 | C38 | 178.7° | 180.0° |
| C03 | C04 | H04 | H04A | 116.8° | 120.0° |
| C03 | C04 | H04 | C05 | 126.4° | 120.0° |
| C03 | C04 | H04A | C05 | 126.3° | 120.0° |
| C03 | C04 | C05 | C31 | 68.5° | 89.7° |
| C03 | C04 | C05 | C06 | 112.3° | 90.1° |
| C04 | C03 | C32 | N33 | 179.9° | 180.0° |
| C04 | C03 | C32 | C38 | 2.0° | 0.1° |
| H04 | C04 | H04A | C05 | 116.8° | 120.0° |
| H04 | C04 | C05 | C31 | 52.5° | 30.4° |
| H04 | C04 | C05 | C06 | 126.7° | 149.8° |
| H04 | C04 | C03 | C32 | 126.8° | 144.6° |
| H04A | C04 | C05 | C31 | 170.5° | 150.3° |
| H04A | C04 | C05 | C06 | 8.7° | 29.9° |
| H04A | C04 | C03 | C32 | 115.2° | 24.6° |
| C04 | C05 | C31 | C06 | 179.2° | 179.8° |
| C04 | C05 | C06 | H06 | 0.1° | 0.0° |
| C04 | C05 | C06 | C07 | 179.9° | 180.0° |
| C04 | C05 | C31 | C13 | 179.7° | 179.8° |
| C04 | C05 | C31 | H31 | 0.3° | 0.0° |
| C05 | C04 | C03 | C32 | 5.8° | 95.4° |
| C31 | C05 | C06 | H06 | 179.1° | 179.8° |
| C31 | C05 | C06 | C07 | 0.9° | 0.2° |
| C05 | C31 | C13 | C10 | 0.0° | 0.4° |
| C05 | C31 | C13 | C14 | 179.1° | 179.8° |
| C05 | C31 | C13 | H31 | 180.0° | 179.8° |
| C05 | C06 | H06 | C07 | 180.0° | 180.0° |
| C05 | C06 | C07 | C10 | 0.6° | 0.0° |
| C05 | C06 | C07 | O08 | 179.4° | 180.0° |
| C06 | C05 | C31 | C13 | 0.5° | 0.5° |
| C06 | C05 | C31 | H31 | 179.5° | 179.7° |
| H06 | C06 | C07 | C10 | 179.4° | 180.0° |
| H06 | C06 | C07 | O08 | 0.6° | 0.0° |
| C06 | C07 | C10 | O08 | 180.0° | 180.0° |
| C06 | C07 | O08 | C09 | 24.6° | 0.1° |
| C06 | C07 | C10 | C13 | 0.1° | 0.0° |
| C06 | C07 | C10 | O11 | 179.6° | 179.9° |
| C10 | C07 | O08 | C09 | 155.4° | 180.0° |
| C07 | C10 | C13 | O11 | 179.5° | 179.9° |
| C07 | C10 | O11 | C12 | 100.5° | 90.0° |
| C07 | C10 | C13 | C14 | 179.4° | 180.0° |
| C07 | C10 | C13 | C31 | 0.3° | 0.2° |
| C07 | O08 | C09 | H09 | 180.0° | 180.0° |
| C07 | O08 | C09 | H09A | 60.0° | 60.1° |
| C07 | O08 | C09 | H09B | 60.0° | 59.9° |
| O08 | C07 | C10 | C13 | 179.9° | 180.0° |
| O08 | C07 | C10 | O11 | 0.4° | 0.1° |
| O08 | C09 | H09 | H09A | 120.0° | 119.9° |
| O08 | C09 | H09 | H09B | 120.0° | 120.1° |
| O08 | C09 | H09A | H09B | 120.0° | 120.0° |
| H09 | C09 | H09A | H09B | 120.0° | 120.1° |
| C13 | C10 | O11 | C12 | 79.0° | 89.9° |
| C10 | C13 | C14 | C31 | 179.1° | 179.8° |
| C10 | C13 | C14 | C15 | 125.9° | 174.2° |
| C10 | C13 | C14 | H14 | 54.1° | 5.9° |
| C10 | C13 | C31 | H31 | 180.0° | 179.8° |
| C10 | O11 | C12 | H12 | 180.0° | 180.0° |
| C10 | O11 | C12 | H12A | 60.0° | 60.1° |
| C10 | O11 | C12 | H12B | 60.0° | 60.0° |
| O11 | C10 | C13 | C14 | 0.2° | 0.1° |
| O11 | C10 | C13 | C31 | 179.3° | 179.7° |
| O11 | C12 | H12 | H12A | 120.0° | 120.0° |
| O11 | C12 | H12 | H12B | 120.1° | 120.0° |
| O11 | C12 | H12A | H12B | 120.0° | 120.0° |
| H12 | C12 | H12A | H12B | 120.0° | 120.0° |
| C13 | C14 | C15 | H14 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 177.1° | 174.9° |
| C13 | C14 | C15 | H15 | 2.9° | 5.1° |
| C14 | C13 | C31 | H31 | 0.9° | 0.0° |
| C31 | C13 | C14 | C15 | 55.0° | 6.0° |
| C31 | C13 | C14 | H14 | 125.0° | 173.9° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C14 | C15 | C16 | N17 | 138.8° | 174.8° |
| C14 | C15 | C16 | O30 | 40.4° | 5.2° |
| H14 | C14 | C15 | C16 | 2.9° | 5.2° |
| H14 | C14 | C15 | H15 | 177.1° | 174.8° |
| C15 | C16 | N17 | O30 | 179.2° | 180.0° |
| C15 | C16 | N17 | C20 | 179.9° | 175.5° |
| C15 | C16 | N17 | N18 | 0.8° | 4.8° |
| H15 | C15 | C16 | N17 | 41.2° | 5.2° |
| H15 | C15 | C16 | O30 | 139.6° | 174.8° |
| C16 | N17 | C20 | N18 | 179.2° | 179.7° |
| C16 | N17 | N18 | C19 | 177.7° | 148.0° |
| C16 | N17 | C20 | C24 | 149.4° | 136.2° |
| C16 | N17 | C20 | H20 | 29.9° | 16.6° |
| C16 | N17 | C20 | C21 | 89.3° | 104.1° |
| C20 | N17 | N18 | C19 | 3.0° | 31.7° |
| N17 | C20 | C24 | H20 | 119.8° | 119.7° |
| N17 | C20 | C24 | C21 | 124.5° | 119.7° |
| N17 | C20 | H20 | C21 | 122.5° | 120.6° |
| N17 | C20 | C21 | H21 | 35.8° | 54.3° |
| N17 | C20 | C21 | C22 | 144.2° | 125.6° |
| N17 | C20 | C24 | C29 | 149.6° | 152.9° |
| N17 | C20 | C24 | C25 | 30.1° | 27.1° |
| C20 | N17 | C16 | O30 | 0.7° | 4.5° |
| N17 | N18 | C19 | C25 | 34.7° | 0.1° |
| N18 | N17 | C20 | C24 | 29.8° | 43.5° |
| N18 | N17 | C20 | H20 | 149.3° | 163.1° |
| N18 | N17 | C20 | C21 | 91.5° | 76.2° |
| N18 | N17 | C16 | O30 | 180.0° | 175.2° |
| N17 | N18 | C19 | H19 | 145.2° | 180.0° |
| N18 | C19 | C25 | H19 | 180.0° | 180.0° |
| N18 | C19 | C25 | C24 | 33.4° | 15.3° |
| N18 | C19 | C25 | C26 | 146.8° | 164.4° |
| C19 | C25 | C24 | C20 | 0.4° | 0.4° |
| C19 | C25 | C24 | C29 | 179.8° | 179.7° |
| C19 | C25 | C24 | C26 | 179.7° | 179.8° |
| C19 | C25 | C26 | C27 | 179.7° | 179.9° |
| C19 | C25 | C26 | H26 | 0.3° | 0.1° |
| C24 | C20 | H20 | C21 | 115.6° | 120.4° |
| C24 | C20 | C21 | H21 | 88.3° | 64.6° |
| C24 | C20 | C21 | C22 | 91.8° | 115.5° |
| C20 | C24 | C29 | C25 | 179.8° | 180.0° |
| C20 | C24 | C25 | C26 | 179.9° | 179.8° |
| C20 | C24 | C29 | C28 | 179.9° | 179.5° |
| C20 | C24 | C29 | H29 | 0.1° | 0.1° |
| H20 | C20 | C21 | H21 | 155.6° | 174.9° |
| H20 | C20 | C21 | C22 | 24.4° | 5.0° |
| H20 | C20 | C24 | C29 | 29.9° | 33.1° |
| H20 | C20 | C24 | C25 | 149.9° | 146.9° |
| C20 | C21 | H21 | C22 | 180.0° | 179.9° |
| C20 | C21 | C22 | C37 | 134.4° | 0.7° |
| C20 | C21 | C22 | C23 | 65.3° | 179.4° |
| C21 | C20 | C24 | C29 | 85.9° | 87.4° |
| C21 | C20 | C24 | C25 | 94.3° | 92.5° |
| H21 | C21 | C22 | C37 | 45.6° | 179.5° |
| H21 | C21 | C22 | C23 | 114.7° | 0.5° |
| C21 | C22 | C37 | C23 | 162.6° | 179.9° |
| C21 | C22 | C23 | H23 | 180.0° | 0.0° |
| C21 | C22 | C23 | H23A | 60.0° | 120.0° |
| C21 | C22 | C23 | H22 | 60.0° | 120.1° |
| C21 | C22 | C37 | H37 | 180.0° | 84.3° |
| C21 | C22 | C37 | H37A | 60.0° | 155.7° |
| C21 | C22 | C37 | H37B | 60.0° | 35.7° |
| C37 | C22 | C23 | H23 | 20.1° | 180.0° |
| C37 | C22 | C23 | H23A | 140.0° | 60.0° |
| C37 | C22 | C23 | H22 | 100.0° | 60.0° |
| C22 | C37 | H37 | H37A | 120.0° | 120.0° |
| C22 | C37 | H37 | H37B | 120.0° | 119.9° |
| C22 | C37 | H37A | H37B | 120.0° | 120.0° |
| C22 | C23 | H23 | H23A | 120.0° | 120.0° |
| C22 | C23 | H23 | H22 | 120.0° | 120.0° |
| C22 | C23 | H23A | H22 | 120.0° | 120.0° |
| C23 | C22 | C37 | H37 | 17.4° | 95.8° |
| C23 | C22 | C37 | H37A | 102.5° | 24.2° |
| C23 | C22 | C37 | H37B | 137.4° | 144.2° |
| H23 | C23 | H23A | H22 | 120.0° | 119.9° |
| C29 | C24 | C25 | C26 | 0.1° | 0.1° |
| C24 | C29 | C28 | C27 | 0.1° | 0.6° |
| C24 | C29 | C28 | H28 | 179.9° | 179.8° |
| C24 | C29 | C28 | H29 | 180.0° | 179.6° |
| C24 | C25 | C26 | C27 | 0.0° | 0.1° |
| C24 | C25 | C26 | H26 | 180.0° | 179.9° |
| C25 | C24 | C29 | C28 | 0.2° | 0.5° |
| C25 | C24 | C29 | H29 | 179.8° | 179.9° |
| C24 | C25 | C19 | H19 | 146.6° | 164.6° |
| C25 | C26 | C27 | H26 | 180.0° | 180.0° |
| C25 | C26 | C27 | H27 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | NaN° | 0.0° |
| C26 | C25 | C19 | H19 | 33.2° | 15.6° |
| C26 | C27 | H27 | C28 | 180.0° | 179.9° |
| C26 | C27 | C28 | H28 | 179.9° | 180.0° |
| C26 | C27 | C28 | C29 | 0.1° | 0.4° |
| H26 | C26 | C27 | H27 | 0.0° | 0.1° |
| H26 | C26 | C27 | C28 | 180.0° | 180.0° |
| H27 | C27 | C28 | H28 | 0.1° | 0.1° |
| H27 | C27 | C28 | C29 | 179.9° | 179.7° |
| C27 | C28 | H28 | C29 | 180.0° | 179.6° |
| C27 | C28 | C29 | H29 | 179.9° | 179.8° |
| H28 | C28 | C29 | H29 | 0.1° | 0.2° |
| C03 | C32 | N33 | C38 | 178.1° | 179.9° |
| C03 | C32 | N33 | C34 | 0.3° | 0.1° |
| C03 | C32 | C38 | C39 | 125.7° | 93.4° |
| C03 | C32 | C38 | H38 | 5.0° | 146.6° |
| C03 | C32 | C38 | H38A | 113.5° | 26.7° |
| C32 | N33 | C34 | N35 | 179.9° | 180.0° |
| C32 | N33 | C34 | N36 | 0.6° | 0.2° |
| N33 | C32 | C38 | C39 | 52.2° | 86.7° |
| N33 | C32 | C38 | H38 | 172.9° | 33.3° |
| N33 | C32 | C38 | H38A | 68.6° | 153.2° |
| N33 | C34 | N35 | N36 | 179.5° | 179.7° |
| N33 | C34 | N35 | HN35 | 0.0° | 0.0° |
| N33 | C34 | N35 | HN3A | 120.0° | 180.0° |
| C34 | N33 | C32 | C38 | 178.4° | 180.0° |
| C34 | N35 | HN35 | HN3A | 120.0° | 180.0° |
| N36 | C34 | N35 | HN35 | 179.5° | 179.7° |
| N36 | C34 | N35 | HN3A | 59.4° | 0.2° |
| H37 | C37 | H37A | H37B | 119.9° | 120.0° |
| C32 | C38 | C39 | H38 | 120.7° | 120.0° |
| C32 | C38 | C39 | H38A | 120.7° | 120.0° |
| C32 | C38 | H38 | H38A | 117.8° | 120.0° |
| C32 | C38 | C39 | H39 | 65.1° | 55.2° |
| C32 | C38 | C39 | H36 | 52.0° | 64.9° |
| C32 | C38 | C39 | C40 | 173.5° | 175.1° |
| C39 | C38 | H38 | H38A | 117.8° | 120.0° |
| C38 | C39 | H39 | H36 | 115.2° | 120.1° |
| C38 | C39 | H39 | C40 | 129.5° | 119.9° |
| C38 | C39 | H36 | C40 | 129.5° | 120.0° |
| C38 | C39 | C40 | H40 | 180.0° | 55.1° |
| C38 | C39 | C40 | H40A | 60.0° | 175.1° |
| C38 | C39 | C40 | H391 | 60.0° | 65.0° |
| H38 | C38 | C39 | H39 | 174.2° | 175.1° |
| H38 | C38 | C39 | H36 | 68.7° | 55.1° |
| H38 | C38 | C39 | C40 | 52.8° | 64.9° |
| H38A | C38 | C39 | H39 | 55.7° | 64.9° |
| H38A | C38 | C39 | H36 | 172.7° | 175.1° |
| H38A | C38 | C39 | C40 | 65.8° | 55.1° |
| H39 | C39 | H36 | C40 | 115.3° | 120.0° |
| H39 | C39 | C40 | H40 | 58.6° | 64.9° |
| H39 | C39 | C40 | H40A | 178.5° | 55.1° |
| H39 | C39 | C40 | H391 | 61.4° | 175.1° |
| H36 | C39 | C40 | H40 | 58.5° | 175.1° |
| H36 | C39 | C40 | H40A | 61.4° | 64.9° |
| H36 | C39 | C40 | H391 | 178.5° | 55.0° |
| C39 | C40 | H40 | H40A | 120.0° | 120.0° |
| C39 | C40 | H40 | H391 | 120.0° | 120.0° |
| C39 | C40 | H40A | H391 | 120.0° | 119.9° |
| H40 | C40 | H40A | H391 | 120.0° | 120.0° |
