3ZD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.51Å | 1.47Å | |
| C2 | C4 | doub | 1.38Å | 1.42Å | Aromatic |
| C3 | N1 | sing | 1.47Å | 1.53Å | |
| N1 | C9 | sing | 1.35Å | 1.39Å | |
| C4 | C5 | sing | 1.38Å | 1.36Å | Aromatic |
| C5 | C6 | doub | 1.40Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.48Å | 1.45Å | |
| C6 | C8 | sing | 1.39Å | 1.41Å | Aromatic |
| C7 | N2 | doub | 1.30Å | 1.31Å | |
| C7 | N3 | sing | 1.38Å | 1.35Å | |
| C9 | C10 | sing | 1.51Å | 1.55Å | |
| C9 | O1 | doub | 1.21Å | 1.25Å | |
| C10 | C11 | sing | 1.53Å | 1.57Å | |
| C10 | N4 | sing | 1.47Å | 1.45Å | |
| N4 | C14 | sing | 1.35Å | 1.33Å | |
| C14 | C15 | sing | 1.51Å | 1.48Å | |
| C14 | O2 | doub | 1.21Å | 1.24Å | |
| C15 | C16 | sing | 1.53Å | 1.58Å | |
| C15 | N5 | sing | 1.47Å | 1.42Å | |
| C16 | C27 | sing | 1.51Å | 1.48Å | |
| N5 | S1 | sing | 1.66Å | 1.64Å | |
| S1 | C17 | sing | 1.81Å | 1.86Å | |
| S1 | O4 | doub | 1.42Å | 1.50Å | |
| S1 | O5 | doub | 1.42Å | 1.49Å | |
| C17 | C21 | sing | 1.51Å | 1.43Å | |
| C18 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C18 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.41Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.42Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.41Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.41Å | Aromatic |
| C24 | C29 | doub | 1.38Å | 1.38Å | Aromatic |
| C25 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.41Å | Aromatic |
| C27 | C28 | doub | 1.38Å | 1.42Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.42Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C3 | H31C | sing | 1.09Å | 1.10Å | |
| C3 | H32C | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| N1 | HA | sing | 0.97Å | 1.00Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| N2 | H2 | sing | 0.97Å | 1.00Å | |
| N3 | H31N | sing | 0.97Å | 1.00Å | |
| N3 | H32N | sing | 0.97Å | 1.00Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H113 | sing | 1.09Å | 1.10Å | |
| N4 | HB | sing | 0.97Å | 1.00Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| N5 | HC | sing | 0.97Å | 1.00Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C8 | 124.1° | 120.1° |
| C1 | C2 | C3 | 122.4° | 119.8° |
| C1 | C2 | C4 | 116.0° | 120.3° |
| C2 | C1 | H1 | 117.9° | 119.9° |
| C1 | C8 | C6 | 120.0° | 119.9° |
| C8 | C1 | H1 | 118.0° | 120.0° |
| C1 | C8 | H8 | 120.0° | 120.1° |
| C3 | C2 | C4 | 121.6° | 119.9° |
| C2 | C3 | N1 | 110.6° | 109.5° |
| C2 | C3 | H31C | 109.2° | 109.5° |
| C2 | C3 | H32C | 109.2° | 109.5° |
| C2 | C4 | C5 | 118.5° | 120.2° |
| C2 | C4 | H4 | 120.7° | 119.9° |
| C3 | N1 | C9 | 117.6° | 120.0° |
| N1 | C3 | H31C | 109.2° | 109.4° |
| N1 | C3 | H32C | 109.2° | 109.5° |
| C3 | N1 | HA | 121.2° | 120.0° |
| N1 | C9 | C10 | 113.6° | 120.0° |
| N1 | C9 | O1 | 125.0° | 120.0° |
| C9 | N1 | HA | 121.2° | 120.1° |
| C4 | C5 | C6 | 126.7° | 119.8° |
| C5 | C4 | H4 | 120.8° | 119.9° |
| C4 | C5 | H5 | 116.7° | 120.1° |
| C5 | C6 | C7 | 122.6° | 120.1° |
| C5 | C6 | C8 | 114.7° | 119.7° |
| C6 | C5 | H5 | 116.7° | 120.1° |
| C7 | C6 | C8 | 122.7° | 120.1° |
| C6 | C7 | N2 | 121.8° | 120.0° |
| C6 | C7 | N3 | 120.0° | 120.0° |
| C6 | C8 | H8 | 120.0° | 120.1° |
| N2 | C7 | N3 | 118.2° | 120.0° |
| C7 | N2 | H2 | 112.0° | 120.0° |
| C7 | N3 | H31N | 120.0° | 120.0° |
| C7 | N3 | H32N | 120.0° | 120.0° |
| C10 | C9 | O1 | 121.4° | 120.0° |
| C9 | C10 | C11 | 115.1° | 109.5° |
| C9 | C10 | N4 | 110.1° | 109.5° |
| C9 | C10 | H10 | 109.4° | 109.4° |
| C11 | C10 | N4 | 102.0° | 109.5° |
| C11 | C10 | H10 | 109.2° | 109.5° |
| C10 | C11 | H111 | 109.5° | 109.5° |
| C10 | C11 | H112 | 109.4° | 109.5° |
| C10 | C11 | H113 | 109.5° | 109.4° |
| C10 | N4 | C14 | 120.8° | 120.0° |
| N4 | C10 | H10 | 110.8° | 109.4° |
| C10 | N4 | HB | 119.6° | 120.0° |
| N4 | C14 | C15 | 119.7° | 120.0° |
| N4 | C14 | O2 | 121.5° | 120.0° |
| C14 | N4 | HB | 119.6° | 120.0° |
| C15 | C14 | O2 | 118.8° | 120.0° |
| C14 | C15 | C16 | 107.6° | 109.5° |
| C14 | C15 | N5 | 115.4° | 109.5° |
| C14 | C15 | H15 | 110.3° | 109.5° |
| C16 | C15 | N5 | 103.0° | 109.5° |
| C15 | C16 | C27 | 114.1° | 109.5° |
| C16 | C15 | H15 | 108.9° | 109.5° |
| C15 | C16 | H161 | 108.3° | 109.4° |
| C15 | C16 | H162 | 108.3° | 109.5° |
| C15 | N5 | S1 | 116.3° | 120.0° |
| N5 | C15 | H15 | 111.1° | 109.4° |
| C15 | N5 | HC | 107.7° | 120.0° |
| C16 | C27 | C26 | 121.3° | 120.0° |
| C16 | C27 | C28 | 119.9° | 120.0° |
| C27 | C16 | H161 | 108.3° | 109.5° |
| C27 | C16 | H162 | 108.3° | 109.4° |
| N5 | S1 | C17 | 107.5° | 104.4° |
| N5 | S1 | O4 | 103.7° | 104.3° |
| N5 | S1 | O5 | 106.1° | 104.3° |
| S1 | N5 | HC | 107.8° | 120.0° |
| C17 | S1 | O4 | 113.0° | 110.6° |
| C17 | S1 | O5 | 109.1° | 110.5° |
| S1 | C17 | C21 | 111.1° | 109.5° |
| S1 | C17 | H171 | 109.1° | 109.5° |
| S1 | C17 | H172 | 109.1° | 109.5° |
| O4 | S1 | O5 | 116.7° | 121.1° |
| C17 | C21 | C20 | 119.9° | 120.0° |
| C17 | C21 | C22 | 120.9° | 120.0° |
| C21 | C17 | H171 | 109.1° | 109.5° |
| C21 | C17 | H172 | 109.1° | 109.4° |
| C19 | C18 | C23 | 119.0° | 120.0° |
| C18 | C19 | C20 | 122.6° | 120.0° |
| C19 | C18 | H18 | 120.5° | 120.0° |
| C18 | C19 | H19 | 118.7° | 120.0° |
| C18 | C23 | C22 | 119.6° | 120.0° |
| C23 | C18 | H18 | 120.5° | 120.0° |
| C18 | C23 | H23 | 120.2° | 120.0° |
| C19 | C20 | C21 | 118.3° | 120.0° |
| C20 | C19 | H19 | 118.7° | 120.0° |
| C19 | C20 | H20 | 120.9° | 120.0° |
| C20 | C21 | C22 | 119.2° | 120.0° |
| C21 | C20 | H20 | 120.8° | 120.0° |
| C21 | C22 | C23 | 121.3° | 120.0° |
| C21 | C22 | H22 | 119.3° | 120.0° |
| C22 | C23 | H23 | 120.2° | 120.0° |
| C23 | C22 | H22 | 119.4° | 120.0° |
| C25 | C24 | C29 | 118.8° | 120.0° |
| C24 | C25 | C26 | 121.1° | 120.0° |
| C25 | C24 | H24 | 120.6° | 120.0° |
| C24 | C25 | H25 | 119.4° | 120.0° |
| C24 | C29 | C28 | 121.5° | 120.0° |
| C29 | C24 | H24 | 120.6° | 120.0° |
| C24 | C29 | H29 | 119.3° | 120.0° |
| C25 | C26 | C27 | 120.4° | 120.0° |
| C26 | C25 | H25 | 119.4° | 120.0° |
| C25 | C26 | H26 | 119.8° | 120.0° |
| C26 | C27 | C28 | 118.8° | 120.0° |
| C27 | C26 | H26 | 119.8° | 120.0° |
| C27 | C28 | C29 | 119.3° | 120.0° |
| C27 | C28 | H28 | 120.4° | 120.0° |
| C28 | C29 | H29 | 119.2° | 120.1° |
| C29 | C28 | H28 | 120.3° | 120.0° |
| H31C | C3 | H32C | 109.5° | 109.5° |
| H31N | N3 | H32N | 120.0° | 120.0° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H111 | C11 | H113 | 109.5° | 109.5° |
| H112 | C11 | H113 | 109.5° | 109.5° |
| H161 | C16 | H162 | 109.5° | 109.5° |
| H171 | C17 | H172 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C8 | H1 | 180.0° | 179.7° |
| C1 | C2 | C3 | C4 | 178.9° | 180.0° |
| C1 | C2 | C3 | N1 | 78.1° | 90.0° |
| C1 | C2 | C4 | C5 | 0.6° | 0.0° |
| C2 | C1 | C8 | C6 | 0.4° | 0.0° |
| C2 | C1 | C8 | H8 | 179.7° | 180.0° |
| C1 | C2 | C3 | H31C | 42.1° | 150.1° |
| C1 | C2 | C3 | H32C | 161.7° | 30.0° |
| C1 | C2 | C4 | H4 | 179.4° | 180.0° |
| C8 | C1 | C2 | C3 | 179.6° | 180.0° |
| C8 | C1 | C2 | C4 | 0.7° | 0.0° |
| C1 | C8 | C6 | C5 | 0.1° | 0.0° |
| C1 | C8 | C6 | C7 | 179.8° | 179.9° |
| C1 | C8 | C6 | H8 | 180.0° | 180.0° |
| C2 | C3 | N1 | H31C | 120.2° | 120.0° |
| C2 | C3 | N1 | H32C | 120.2° | 120.0° |
| C2 | C3 | N1 | C9 | 104.5° | 180.0° |
| C3 | C2 | C4 | C5 | 179.5° | 180.0° |
| C3 | C2 | C1 | H1 | 0.4° | 0.3° |
| C2 | C3 | H31C | H32C | 119.5° | 120.1° |
| C3 | C2 | C4 | H4 | 0.5° | 0.0° |
| C2 | C3 | N1 | HA | 75.5° | 0.0° |
| C4 | C2 | C3 | N1 | 100.8° | 90.0° |
| C2 | C4 | C5 | H4 | 180.0° | 180.0° |
| C2 | C4 | C5 | C6 | 0.2° | 0.0° |
| C4 | C2 | C1 | H1 | 179.3° | 179.7° |
| C4 | C2 | C3 | H31C | 139.0° | 30.0° |
| C4 | C2 | C3 | H32C | 19.4° | 150.0° |
| C2 | C4 | C5 | H5 | 179.8° | 180.0° |
| C3 | N1 | C9 | HA | 180.0° | 180.0° |
| C3 | N1 | C9 | C10 | 179.1° | 179.9° |
| C3 | N1 | C9 | O1 | 0.2° | 0.0° |
| N1 | C3 | H31C | H32C | 119.5° | 120.0° |
| N1 | C9 | C10 | O1 | 179.3° | 179.9° |
| N1 | C9 | C10 | C11 | 109.5° | 60.0° |
| N1 | C9 | C10 | N4 | 135.9° | 180.0° |
| C9 | N1 | C3 | H31C | 15.7° | 60.0° |
| C9 | N1 | C3 | H32C | 135.3° | 60.0° |
| N1 | C9 | C10 | H10 | 13.9° | 60.1° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 179.8° | 180.0° |
| C4 | C5 | C6 | C8 | 0.2° | 0.0° |
| C5 | C6 | C7 | C8 | 179.6° | 180.0° |
| C5 | C6 | C7 | N2 | 11.6° | 0.1° |
| C5 | C6 | C7 | N3 | 169.2° | 180.0° |
| C5 | C6 | C8 | H8 | 179.9° | 180.0° |
| C6 | C5 | C4 | H4 | 179.8° | 180.0° |
| C6 | C7 | N2 | N3 | 179.3° | 179.9° |
| C7 | C6 | C8 | H8 | 0.2° | 0.0° |
| C7 | C6 | C5 | H5 | 0.2° | 0.0° |
| C6 | C7 | N2 | H2 | 179.3° | 180.0° |
| C6 | C7 | N3 | H31N | 179.3° | 0.1° |
| C6 | C7 | N3 | H32N | 0.7° | 179.9° |
| C8 | C6 | C7 | N2 | 168.0° | 179.9° |
| C8 | C6 | C7 | N3 | 11.2° | 0.0° |
| C6 | C8 | C1 | H1 | 179.7° | 179.7° |
| C8 | C6 | C5 | H5 | 179.8° | 180.0° |
| N2 | C7 | N3 | H31N | 0.0° | 180.0° |
| N2 | C7 | N3 | H32N | 180.0° | 0.0° |
| N3 | C7 | N2 | H2 | 0.0° | 0.1° |
| C7 | N3 | H31N | H32N | 180.0° | 180.0° |
| C9 | C10 | C11 | N4 | 119.3° | 120.0° |
| C9 | C10 | C11 | H10 | 123.5° | 120.0° |
| C9 | C10 | N4 | H10 | 121.2° | 119.9° |
| C9 | C10 | N4 | C14 | 59.7° | 155.0° |
| C10 | C9 | N1 | HA | 0.9° | 0.0° |
| C9 | C10 | C11 | H111 | 180.0° | 180.0° |
| C9 | C10 | C11 | H112 | 60.0° | 60.0° |
| C9 | C10 | C11 | H113 | 60.0° | 60.0° |
| C9 | C10 | N4 | HB | 120.3° | 25.1° |
| O1 | C9 | C10 | C11 | 71.2° | 120.0° |
| O1 | C9 | C10 | N4 | 43.5° | 0.1° |
| O1 | C9 | N1 | HA | 179.8° | 180.0° |
| O1 | C9 | C10 | H10 | 165.5° | 120.0° |
| C11 | C10 | N4 | H10 | 116.1° | 120.0° |
| C11 | C10 | N4 | C14 | 177.5° | 85.0° |
| C10 | C11 | H111 | H112 | 120.0° | 120.0° |
| C10 | C11 | H111 | H113 | 120.0° | 119.9° |
| C10 | C11 | H112 | H113 | 120.0° | 119.9° |
| C11 | C10 | N4 | HB | 2.5° | 94.9° |
| C10 | N4 | C14 | HB | 180.0° | 179.9° |
| C10 | N4 | C14 | C15 | 178.6° | 180.0° |
| C10 | N4 | C14 | O2 | 0.3° | 0.0° |
| N4 | C10 | C11 | H111 | 60.7° | 60.0° |
| N4 | C10 | C11 | H112 | 59.3° | 60.0° |
| N4 | C10 | C11 | H113 | 179.3° | 180.0° |
| N4 | C14 | C15 | O2 | 179.0° | 180.0° |
| N4 | C14 | C15 | C16 | 100.4° | 60.0° |
| N4 | C14 | C15 | N5 | 145.2° | 180.0° |
| C14 | N4 | C10 | H10 | 61.4° | 35.1° |
| N4 | C14 | C15 | H15 | 18.3° | 60.0° |
| C14 | C15 | C16 | N5 | 122.4° | 120.0° |
| C14 | C15 | C16 | H15 | 119.5° | 120.0° |
| C14 | C15 | N5 | H15 | 126.5° | 120.0° |
| C14 | C15 | C16 | C27 | 53.2° | 174.4° |
| C14 | C15 | N5 | S1 | 86.0° | 95.9° |
| C15 | C14 | N4 | HB | 1.4° | 0.0° |
| C14 | C15 | C16 | H161 | 67.6° | 54.4° |
| C14 | C15 | C16 | H162 | 173.8° | 65.6° |
| C14 | C15 | N5 | HC | 153.0° | 84.0° |
| O2 | C14 | C15 | C16 | 80.6° | 120.0° |
| O2 | C14 | C15 | N5 | 33.7° | 0.0° |
| O2 | C14 | N4 | HB | 179.7° | 180.0° |
| O2 | C14 | C15 | H15 | 160.7° | 120.0° |
| C16 | C15 | N5 | H15 | 116.5° | 120.0° |
| C15 | C16 | C27 | H161 | 120.7° | 120.0° |
| C15 | C16 | C27 | H162 | 120.7° | 120.0° |
| C16 | C15 | N5 | S1 | 157.0° | 144.1° |
| C15 | C16 | C27 | C26 | 114.5° | 93.7° |
| C15 | C16 | C27 | C28 | 65.2° | 86.3° |
| C15 | C16 | H161 | H162 | 117.9° | 120.0° |
| C16 | C15 | N5 | HC | 36.0° | 36.0° |
| N5 | C15 | C16 | C27 | 175.6° | 65.6° |
| C15 | N5 | S1 | HC | 121.0° | 179.9° |
| C15 | N5 | S1 | C17 | 70.2° | 65.2° |
| C15 | N5 | S1 | O4 | 49.8° | 178.7° |
| C15 | N5 | S1 | O5 | 173.2° | 50.8° |
| N5 | C15 | C16 | H161 | 54.8° | 174.4° |
| N5 | C15 | C16 | H162 | 63.8° | 54.4° |
| C16 | C27 | C26 | C25 | 179.4° | 179.9° |
| C16 | C27 | C26 | C28 | 179.7° | 180.0° |
| C16 | C27 | C28 | C29 | 180.0° | 179.9° |
| C27 | C16 | C15 | H15 | 66.4° | 54.4° |
| C27 | C16 | H161 | H162 | 117.9° | 120.0° |
| C16 | C27 | C26 | H26 | 0.7° | 0.0° |
| C16 | C27 | C28 | H28 | 0.0° | 0.1° |
| N5 | S1 | C17 | O4 | 113.8° | 111.6° |
| N5 | S1 | C17 | O5 | 114.6° | 111.6° |
| N5 | S1 | O4 | O5 | 116.2° | 116.7° |
| N5 | S1 | C17 | C21 | 156.6° | 175.2° |
| S1 | N5 | C15 | H15 | 40.5° | 24.1° |
| N5 | S1 | C17 | H171 | 36.4° | 55.2° |
| N5 | S1 | C17 | H172 | 83.1° | 64.9° |
| C17 | S1 | O4 | O5 | 127.7° | 131.6° |
| S1 | C17 | C21 | H171 | 120.3° | 120.0° |
| S1 | C17 | C21 | H172 | 120.3° | 120.0° |
| S1 | C17 | C21 | C20 | 87.7° | 90.0° |
| S1 | C17 | C21 | C22 | 92.7° | 90.0° |
| C17 | S1 | N5 | HC | 168.9° | 114.8° |
| S1 | C17 | H171 | H172 | 119.3° | 120.1° |
| O4 | S1 | C17 | C21 | 89.6° | 73.2° |
| O4 | S1 | N5 | HC | 71.2° | 1.2° |
| O4 | S1 | C17 | H171 | 150.2° | 166.8° |
| O4 | S1 | C17 | H172 | 30.7° | 46.7° |
| O5 | S1 | C17 | C21 | 42.0° | 63.6° |
| O5 | S1 | N5 | HC | 52.2° | 129.1° |
| O5 | S1 | C17 | H171 | 78.3° | 56.4° |
| O5 | S1 | C17 | H172 | 162.2° | 176.4° |
| C17 | C21 | C20 | C19 | 179.8° | 180.0° |
| C17 | C21 | C20 | C22 | 179.7° | 180.0° |
| C17 | C21 | C22 | C23 | 179.8° | 180.0° |
| C21 | C17 | H171 | H172 | 119.3° | 119.9° |
| C17 | C21 | C20 | H20 | 0.1° | 0.1° |
| C17 | C21 | C22 | H22 | 0.2° | 0.0° |
| C19 | C18 | C23 | H18 | 180.0° | 179.7° |
| C18 | C19 | C20 | H19 | 180.0° | 179.9° |
| C18 | C19 | C20 | C21 | 0.1° | 0.1° |
| C19 | C18 | C23 | C22 | 0.2° | 0.1° |
| C19 | C18 | C23 | H23 | 179.8° | 180.0° |
| C18 | C19 | C20 | H20 | 179.9° | 180.0° |
| C23 | C18 | C19 | C20 | 0.1° | 0.0° |
| C18 | C23 | C22 | C21 | 0.1° | 0.1° |
| C18 | C23 | C22 | H23 | 180.0° | 179.9° |
| C23 | C18 | C19 | H19 | 179.9° | 180.0° |
| C18 | C23 | C22 | H22 | 179.9° | 179.9° |
| C19 | C20 | C21 | H20 | 180.0° | 179.9° |
| C19 | C20 | C21 | C22 | 0.2° | 0.1° |
| C20 | C19 | C18 | H18 | 179.9° | 179.7° |
| C20 | C21 | C22 | C23 | 0.1° | 0.0° |
| C20 | C21 | C17 | H171 | 152.1° | 30.1° |
| C20 | C21 | C17 | H172 | 32.6° | 150.0° |
| C21 | C20 | C19 | H19 | 179.9° | 180.0° |
| C20 | C21 | C22 | H22 | 179.9° | 180.0° |
| C21 | C22 | C23 | H22 | 180.0° | 180.0° |
| C22 | C21 | C17 | H171 | 27.6° | 150.0° |
| C22 | C21 | C17 | H172 | 147.1° | 30.0° |
| C21 | C22 | C23 | H23 | 179.9° | 180.0° |
| C22 | C21 | C20 | H20 | 179.8° | 179.9° |
| C22 | C23 | C18 | H18 | 179.9° | 179.8° |
| C25 | C24 | C29 | H24 | 180.0° | 179.7° |
| C24 | C25 | C26 | H25 | 180.0° | 179.9° |
| C24 | C25 | C26 | C27 | 0.4° | 0.1° |
| C25 | C24 | C29 | C28 | 0.8° | 0.1° |
| C25 | C24 | C29 | H29 | 179.1° | 180.0° |
| C24 | C25 | C26 | H26 | 179.6° | 179.9° |
| C29 | C24 | C25 | C26 | 0.2° | 0.1° |
| C24 | C29 | C28 | C27 | 0.9° | 0.1° |
| C24 | C29 | C28 | H29 | 180.0° | 180.0° |
| C29 | C24 | C25 | H25 | 179.8° | 180.0° |
| C24 | C29 | C28 | H28 | 179.1° | 179.9° |
| C25 | C26 | C27 | H26 | 180.0° | 179.9° |
| C25 | C26 | C27 | C28 | 0.3° | 0.1° |
| C26 | C25 | C24 | H24 | 179.8° | 179.7° |
| C26 | C27 | C28 | C29 | 0.3° | 0.1° |
| C26 | C27 | C16 | H161 | 6.2° | 26.3° |
| C26 | C27 | C16 | H162 | 124.8° | 146.3° |
| C27 | C26 | C25 | H25 | 179.6° | 180.0° |
| C26 | C27 | C28 | H28 | 179.7° | 179.9° |
| C27 | C28 | C29 | H28 | 180.0° | 179.9° |
| C28 | C27 | C16 | H161 | 174.1° | 153.7° |
| C28 | C27 | C16 | H162 | 55.5° | 33.7° |
| C27 | C28 | C29 | H29 | 179.1° | 180.0° |
| C28 | C27 | C26 | H26 | 179.6° | 179.9° |
| C28 | C29 | C24 | H24 | 179.1° | 179.7° |
| H1 | C1 | C8 | H8 | 0.3° | 0.3° |
| H31C | C3 | N1 | HA | 164.3° | 120.0° |
| H32C | C3 | N1 | HA | 44.7° | 120.0° |
| H4 | C4 | C5 | H5 | 0.2° | 0.0° |
| H10 | C10 | C11 | H111 | 56.5° | 60.0° |
| H10 | C10 | C11 | H112 | 176.5° | 180.0° |
| H10 | C10 | C11 | H113 | 63.5° | 60.0° |
| H10 | C10 | N4 | HB | 118.6° | 145.0° |
| H111 | C11 | H112 | H113 | 120.0° | 120.0° |
| H15 | C15 | C16 | H161 | 172.9° | 65.7° |
| H15 | C15 | C16 | H162 | 54.3° | 174.3° |
| H15 | C15 | N5 | HC | 80.5° | 156.0° |
| H18 | C18 | C19 | H19 | 0.1° | 0.3° |
| H18 | C18 | C23 | H23 | 0.1° | 0.3° |
| H19 | C19 | C20 | H20 | 0.1° | 0.1° |
| H23 | C23 | C22 | H22 | 0.1° | 0.0° |
| H24 | C24 | C25 | H25 | 0.2° | 0.3° |
| H24 | C24 | C29 | H29 | 0.9° | 0.3° |
| H25 | C25 | C26 | H26 | 0.4° | 0.1° |
| H29 | C29 | C28 | H28 | 0.9° | 0.1° |
