B4F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | doub | 1.22Å | 1.23Å | |
| N1 | C1 | sing | 1.34Å | 1.34Å | |
| N1 | C3 | sing | 1.47Å | 1.46Å | |
| C4 | S1 | sing | 1.84Å | 1.81Å | |
| C4 | C3 | sing | 1.54Å | 1.53Å | |
| C1 | N2 | sing | 1.34Å | 1.35Å | |
| S1 | C5 | sing | 1.83Å | 1.82Å | |
| C3 | C2 | sing | 1.53Å | 1.56Å | |
| N2 | C2 | sing | 1.47Å | 1.45Å | |
| C2 | C5 | sing | 1.54Å | 1.54Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C9 | C10 | sing | 1.51Å | 1.51Å | |
| N3 | C10 | sing | 1.35Å | 1.33Å | |
| N3 | C11 | sing | 1.46Å | 1.46Å | |
| C10 | O2 | doub | 1.21Å | 1.22Å | |
| C11 | C12 | sing | 1.53Å | 1.51Å | |
| C12 | N4 | sing | 1.47Å | 1.46Å | |
| N4 | C13 | sing | 1.35Å | 1.34Å | |
| C13 | O3 | doub | 1.22Å | 1.23Å | |
| C13 | C14 | sing | 1.48Å | 1.49Å | |
| C16 | C14 | doub | 1.40Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | C18 | doub | 1.39Å | 1.40Å | Aromatic |
| C24 | C23 | doub | 1.36Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.40Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.40Å | 1.39Å | Aromatic |
| O6 | C25 | sing | 1.36Å | 1.37Å | |
| C15 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.41Å | 1.40Å | Aromatic |
| C18 | C21 | sing | 1.48Å | 1.50Å | |
| C25 | C26 | doub | 1.39Å | 1.38Å | Aromatic |
| C22 | C21 | sing | 1.46Å | 1.47Å | |
| C22 | C27 | doub | 1.41Å | 1.40Å | Aromatic |
| C19 | C20 | sing | 1.48Å | 1.48Å | |
| C21 | C29 | doub | 1.41Å | 1.39Å | |
| C26 | C27 | sing | 1.39Å | 1.38Å | Aromatic |
| C27 | O7 | sing | 1.35Å | 1.38Å | |
| C29 | C33 | sing | 1.41Å | 1.42Å | |
| C29 | C28 | sing | 1.42Å | 1.44Å | |
| C20 | O5 | doub | 1.21Å | 1.31Å | |
| C20 | O4 | sing | 1.35Å | 1.23Å | |
| C33 | C32 | doub | 1.36Å | 1.35Å | |
| O7 | C28 | sing | 1.35Å | 1.37Å | |
| C28 | C30 | doub | 1.38Å | 1.36Å | |
| C32 | C31 | sing | 1.41Å | 1.46Å | |
| C30 | C31 | sing | 1.40Å | 1.45Å | |
| C31 | O8 | doub | 1.23Å | 1.24Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N2 | H2 | sing | 0.97Å | 1.00Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| N3 | H16 | sing | 0.97Å | 1.00Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| N4 | H21 | sing | 0.97Å | 1.00Å | |
| C15 | H22 | sing | 1.08Å | 1.08Å | |
| C16 | H23 | sing | 1.08Å | 1.08Å | |
| C17 | H24 | sing | 1.08Å | 1.08Å | |
| O4 | H25 | sing | 0.97Å | 0.95Å | |
| C23 | H26 | sing | 1.08Å | 1.08Å | |
| C24 | H27 | sing | 1.08Å | 1.08Å | |
| O6 | H28 | sing | 0.97Å | 0.95Å | |
| C26 | H29 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C32 | H31 | sing | 1.08Å | 1.08Å | |
| C33 | H32 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | N1 | 125.5° | 123.0° |
| O1 | C1 | N2 | 125.4° | 123.1° |
| C1 | N1 | C3 | 112.8° | 109.0° |
| N1 | C1 | N2 | 109.1° | 113.9° |
| C1 | N1 | H1 | 123.6° | 125.5° |
| N1 | C3 | C4 | 112.0° | 109.2° |
| N1 | C3 | C2 | 102.4° | 104.0° |
| C3 | N1 | H1 | 123.6° | 125.5° |
| N1 | C3 | H4 | 111.8° | 110.2° |
| S1 | C4 | C3 | 107.6° | 102.7° |
| C4 | S1 | C5 | 90.3° | 94.8° |
| S1 | C4 | H5 | 109.9° | 110.7° |
| S1 | C4 | H6 | 109.9° | 110.8° |
| C4 | C3 | C2 | 109.3° | 112.3° |
| C4 | C3 | H4 | 110.7° | 110.5° |
| C3 | C4 | H5 | 109.9° | 110.8° |
| C3 | C4 | H6 | 109.9° | 110.7° |
| C1 | N2 | C2 | 112.8° | 109.1° |
| C1 | N2 | H2 | 123.6° | 125.4° |
| S1 | C5 | C2 | 104.5° | 102.9° |
| S1 | C5 | C6 | 112.3° | 110.5° |
| S1 | C5 | H7 | 106.2° | 110.8° |
| C3 | C2 | N2 | 102.4° | 104.0° |
| C3 | C2 | C5 | 108.3° | 112.3° |
| C3 | C2 | H3 | 108.8° | 110.6° |
| C2 | C3 | H4 | 110.3° | 110.4° |
| N2 | C2 | C5 | 117.4° | 109.2° |
| C2 | N2 | H2 | 123.6° | 125.5° |
| N2 | C2 | H3 | 110.3° | 110.3° |
| C2 | C5 | C6 | 114.6° | 110.8° |
| C5 | C2 | H3 | 109.1° | 110.3° |
| C2 | C5 | H7 | 109.3° | 110.8° |
| C5 | C6 | C7 | 112.0° | 109.5° |
| C6 | C5 | H7 | 109.5° | 110.8° |
| C5 | C6 | H8 | 108.8° | 109.4° |
| C5 | C6 | H9 | 108.8° | 109.5° |
| C6 | C7 | C8 | 112.9° | 109.5° |
| C7 | C6 | H8 | 108.8° | 109.5° |
| C7 | C6 | H9 | 108.8° | 109.5° |
| C6 | C7 | H10 | 108.6° | 109.5° |
| C6 | C7 | H11 | 108.6° | 109.5° |
| C7 | C8 | C9 | 113.2° | 109.5° |
| C8 | C7 | H10 | 108.6° | 109.4° |
| C8 | C7 | H11 | 108.6° | 109.5° |
| C7 | C8 | H12 | 108.5° | 109.4° |
| C7 | C8 | H13 | 108.5° | 109.5° |
| C8 | C9 | C10 | 114.2° | 109.4° |
| C9 | C8 | H12 | 108.5° | 109.5° |
| C9 | C8 | H13 | 108.5° | 109.5° |
| C8 | C9 | H14 | 108.3° | 109.5° |
| C8 | C9 | H15 | 108.3° | 109.5° |
| C9 | C10 | N3 | 116.0° | 120.0° |
| C9 | C10 | O2 | 120.8° | 120.0° |
| C10 | C9 | H14 | 108.3° | 109.4° |
| C10 | C9 | H15 | 108.3° | 109.5° |
| C10 | N3 | C11 | 124.5° | 120.0° |
| N3 | C10 | O2 | 123.1° | 120.0° |
| C10 | N3 | H16 | 117.8° | 120.0° |
| N3 | C11 | C12 | 113.8° | 109.5° |
| C11 | N3 | H16 | 117.7° | 120.0° |
| N3 | C11 | H17 | 108.4° | 109.5° |
| N3 | C11 | H18 | 108.4° | 109.5° |
| C11 | C12 | N4 | 113.7° | 109.5° |
| C12 | C11 | H17 | 108.4° | 109.4° |
| C12 | C11 | H18 | 108.4° | 109.4° |
| C11 | C12 | H19 | 108.4° | 109.4° |
| C11 | C12 | H20 | 108.4° | 109.5° |
| C12 | N4 | C13 | 120.4° | 120.0° |
| N4 | C12 | H19 | 108.4° | 109.5° |
| N4 | C12 | H20 | 108.4° | 109.5° |
| C12 | N4 | H21 | 119.8° | 120.0° |
| N4 | C13 | O3 | 121.7° | 120.0° |
| N4 | C13 | C14 | 117.4° | 120.0° |
| C13 | N4 | H21 | 119.8° | 120.0° |
| O3 | C13 | C14 | 120.8° | 120.0° |
| C13 | C14 | C16 | 125.5° | 119.9° |
| C13 | C14 | C15 | 115.3° | 119.9° |
| C14 | C16 | C17 | 120.5° | 120.3° |
| C16 | C14 | C15 | 119.1° | 120.2° |
| C14 | C16 | H23 | 119.8° | 119.9° |
| C16 | C17 | C18 | 120.7° | 120.1° |
| C17 | C16 | H23 | 119.7° | 119.8° |
| C16 | C17 | H24 | 119.7° | 119.9° |
| C14 | C15 | C19 | 121.2° | 119.9° |
| C14 | C15 | H22 | 119.4° | 120.1° |
| C17 | C18 | C19 | 119.2° | 119.8° |
| C17 | C18 | C21 | 119.7° | 120.1° |
| C18 | C17 | H24 | 119.6° | 119.9° |
| C23 | C24 | C25 | 119.2° | 120.3° |
| C24 | C23 | C22 | 121.4° | 119.8° |
| C24 | C23 | H26 | 119.3° | 120.1° |
| C23 | C24 | H27 | 120.4° | 119.8° |
| C24 | C25 | O6 | 119.0° | 119.7° |
| C24 | C25 | C26 | 121.0° | 120.6° |
| C25 | C24 | H27 | 120.4° | 119.8° |
| C23 | C22 | C21 | 124.0° | 120.8° |
| C23 | C22 | C27 | 117.7° | 120.1° |
| C22 | C23 | H26 | 119.3° | 120.1° |
| O6 | C25 | C26 | 120.0° | 119.7° |
| C25 | O6 | H28 | 109.5° | 114.0° |
| C15 | C19 | C18 | 119.3° | 119.7° |
| C15 | C19 | C20 | 115.0° | 120.2° |
| C19 | C15 | H22 | 119.4° | 120.0° |
| C19 | C18 | C21 | 121.1° | 120.1° |
| C18 | C19 | C20 | 125.6° | 120.1° |
| C18 | C21 | C22 | 119.8° | 121.2° |
| C18 | C21 | C29 | 121.2° | 121.2° |
| C25 | C26 | C27 | 118.6° | 119.9° |
| C25 | C26 | H29 | 120.7° | 120.0° |
| C21 | C22 | C27 | 118.4° | 119.0° |
| C22 | C21 | C29 | 119.0° | 117.6° |
| C22 | C27 | C26 | 122.0° | 119.2° |
| C22 | C27 | O7 | 121.9° | 120.5° |
| C19 | C20 | O5 | 113.3° | 120.0° |
| C19 | C20 | O4 | 122.5° | 120.0° |
| C21 | C29 | C33 | 123.1° | 120.3° |
| C21 | C29 | C28 | 119.6° | 119.4° |
| C26 | C27 | O7 | 116.1° | 120.3° |
| C27 | C26 | H29 | 120.7° | 120.1° |
| C27 | O7 | C28 | 120.6° | 122.4° |
| C33 | C29 | C28 | 117.3° | 120.3° |
| C29 | C33 | C32 | 122.0° | 120.0° |
| C29 | C33 | H32 | 119.0° | 120.0° |
| C29 | C28 | O7 | 120.7° | 121.1° |
| C29 | C28 | C30 | 122.2° | 119.2° |
| O5 | C20 | O4 | 124.1° | 120.0° |
| C20 | O4 | H25 | 109.5° | 116.9° |
| C33 | C32 | C31 | 121.2° | 120.2° |
| C33 | C32 | H31 | 119.4° | 119.9° |
| C32 | C33 | H32 | 119.0° | 120.0° |
| O7 | C28 | C30 | 117.1° | 119.7° |
| C28 | C30 | C31 | 120.5° | 119.9° |
| C28 | C30 | H30 | 119.7° | 120.0° |
| C32 | C31 | C30 | 116.8° | 120.4° |
| C32 | C31 | O8 | 121.6° | 119.8° |
| C31 | C32 | H31 | 119.4° | 119.9° |
| C30 | C31 | O8 | 121.5° | 119.8° |
| C31 | C30 | H30 | 119.8° | 120.0° |
| H5 | C4 | H6 | 109.5° | 110.8° |
| H8 | C6 | H9 | 109.5° | 109.5° |
| H10 | C7 | H11 | 109.5° | 109.5° |
| H12 | C8 | H13 | 109.5° | 109.5° |
| H14 | C9 | H15 | 109.4° | 109.5° |
| H17 | C11 | H18 | 109.5° | 109.4° |
| H19 | C12 | H20 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | N1 | N2 | 179.6° | 179.7° |
| O1 | C1 | N1 | C3 | 178.5° | 180.0° |
| O1 | C1 | N2 | C2 | 176.5° | 180.0° |
| O1 | C1 | N1 | H1 | 1.6° | 0.1° |
| O1 | C1 | N2 | H2 | 3.5° | 0.1° |
| C1 | N1 | C3 | H1 | 180.0° | 179.9° |
| C1 | N1 | C3 | C4 | 111.4° | 120.2° |
| C1 | N1 | C3 | C2 | 5.6° | 0.1° |
| N1 | C1 | N2 | C2 | 3.1° | 0.3° |
| N1 | C1 | N2 | H2 | 176.9° | 179.8° |
| C1 | N1 | C3 | H4 | 123.7° | 118.2° |
| N1 | C3 | C4 | S1 | 94.7° | 90.3° |
| N1 | C3 | C4 | C2 | 112.8° | 114.8° |
| N1 | C3 | C4 | H4 | 125.6° | 121.4° |
| C3 | N1 | C1 | N2 | 2.0° | 0.3° |
| N1 | C3 | C2 | H4 | 119.2° | 118.2° |
| N1 | C3 | C2 | N2 | 6.7° | 0.0° |
| N1 | C3 | C2 | C5 | 131.5° | 118.0° |
| N1 | C3 | C2 | H3 | 110.0° | 118.4° |
| N1 | C3 | C4 | H5 | 25.0° | 151.4° |
| N1 | C3 | C4 | H6 | 145.6° | 28.0° |
| S1 | C4 | C3 | H5 | 119.7° | 118.3° |
| S1 | C4 | C3 | H6 | 119.7° | 118.4° |
| S1 | C4 | C3 | C2 | 18.1° | 24.5° |
| C4 | S1 | C5 | C2 | 42.0° | 34.7° |
| C4 | S1 | C5 | C6 | 166.8° | 153.1° |
| S1 | C4 | C3 | H4 | 139.8° | 148.3° |
| S1 | C4 | H5 | H6 | 120.8° | 123.4° |
| C4 | S1 | C5 | H7 | 73.5° | 83.7° |
| C3 | C4 | S1 | C5 | 35.2° | 34.7° |
| C4 | C3 | C2 | H4 | 121.9° | 123.8° |
| C4 | C3 | C2 | N2 | 112.2° | 117.9° |
| C4 | C3 | C2 | C5 | 12.5° | 0.0° |
| C4 | C3 | N1 | H1 | 68.6° | 59.9° |
| C4 | C3 | C2 | H3 | 131.0° | 123.7° |
| C3 | C4 | H5 | H6 | 120.9° | 123.3° |
| C1 | N2 | C2 | C3 | 6.3° | 0.1° |
| C1 | N2 | C2 | H2 | 180.0° | 180.0° |
| C1 | N2 | C2 | C5 | 124.8° | 120.2° |
| N2 | C1 | N1 | H1 | 178.0° | 179.8° |
| C1 | N2 | C2 | H3 | 109.4° | 118.5° |
| S1 | C5 | C2 | C3 | 37.3° | 24.7° |
| S1 | C5 | C2 | N2 | 78.0° | 90.1° |
| S1 | C5 | C2 | C6 | 123.4° | 118.2° |
| S1 | C5 | C2 | H7 | 113.3° | 118.4° |
| S1 | C5 | C6 | H7 | 117.8° | 123.2° |
| S1 | C5 | C6 | C7 | 74.2° | 71.5° |
| S1 | C5 | C2 | H3 | 155.6° | 148.5° |
| C5 | S1 | C4 | H5 | 154.9° | 83.6° |
| C5 | S1 | C4 | H6 | 84.5° | 153.0° |
| S1 | C5 | C6 | H8 | 46.1° | 48.5° |
| S1 | C5 | C6 | H9 | 165.4° | 168.4° |
| C3 | C2 | N2 | C5 | 118.5° | 120.0° |
| C3 | C2 | N2 | H3 | 115.7° | 118.6° |
| C3 | C2 | C5 | H3 | 118.3° | 123.9° |
| C3 | C2 | C5 | C6 | 160.7° | 142.9° |
| C2 | C3 | N1 | H1 | 174.4° | 180.0° |
| C3 | C2 | N2 | H2 | 173.7° | 179.9° |
| C2 | C3 | C4 | H5 | 137.8° | 93.8° |
| C2 | C3 | C4 | H6 | 101.6° | 142.9° |
| C3 | C2 | C5 | H7 | 76.0° | 93.8° |
| N2 | C2 | C5 | H3 | 126.4° | 121.3° |
| N2 | C2 | C5 | C6 | 45.4° | 28.1° |
| N2 | C2 | C3 | H4 | 125.9° | 118.2° |
| N2 | C2 | C5 | H7 | 168.7° | 151.4° |
| C2 | C5 | C6 | H7 | 123.2° | 123.4° |
| C2 | C5 | C6 | C7 | 166.7° | 175.0° |
| C5 | C2 | N2 | H2 | 55.2° | 59.8° |
| C5 | C2 | C3 | H4 | 109.4° | 123.8° |
| C2 | C5 | C6 | H8 | 72.9° | 65.0° |
| C2 | C5 | C6 | H9 | 46.4° | 55.0° |
| C5 | C6 | C7 | H8 | 120.4° | 120.0° |
| C5 | C6 | C7 | H9 | 120.4° | 120.0° |
| C5 | C6 | C7 | C8 | 177.6° | 180.0° |
| C6 | C5 | C2 | H3 | 81.0° | 93.3° |
| C5 | C6 | H8 | H9 | 118.9° | 120.0° |
| C5 | C6 | C7 | H10 | 61.9° | 60.1° |
| C5 | C6 | C7 | H11 | 57.1° | 60.0° |
| C6 | C7 | C8 | H10 | 120.5° | 120.0° |
| C6 | C7 | C8 | H11 | 120.5° | 120.0° |
| C6 | C7 | C8 | C9 | 170.7° | 180.0° |
| C7 | C6 | C5 | H7 | 43.5° | 51.6° |
| C7 | C6 | H8 | H9 | 118.8° | 120.0° |
| C6 | C7 | H10 | H11 | 118.4° | 120.0° |
| C6 | C7 | C8 | H12 | 50.2° | 60.0° |
| C6 | C7 | C8 | H13 | 68.7° | 60.0° |
| C7 | C8 | C9 | H12 | 120.6° | 119.9° |
| C7 | C8 | C9 | H13 | 120.6° | 120.0° |
| C7 | C8 | C9 | C10 | 79.2° | 180.0° |
| C8 | C7 | C6 | H8 | 57.2° | 60.0° |
| C8 | C7 | C6 | H9 | 62.1° | 60.0° |
| C8 | C7 | H10 | H11 | 118.5° | 120.0° |
| C7 | C8 | H12 | H13 | 118.3° | 120.0° |
| C7 | C8 | C9 | H14 | 41.5° | 60.1° |
| C7 | C8 | C9 | H15 | 160.0° | 60.0° |
| C8 | C9 | C10 | H14 | 120.7° | 120.0° |
| C8 | C9 | C10 | H15 | 120.7° | 120.1° |
| C8 | C9 | C10 | N3 | 113.4° | 179.9° |
| C8 | C9 | C10 | O2 | 68.7° | 0.0° |
| C9 | C8 | C7 | H10 | 68.8° | 60.0° |
| C9 | C8 | C7 | H11 | 50.2° | 59.9° |
| C9 | C8 | H12 | H13 | 118.3° | 120.1° |
| C8 | C9 | H14 | H15 | 117.9° | 120.1° |
| C9 | C10 | N3 | O2 | 177.8° | 180.0° |
| C9 | C10 | N3 | C11 | 150.0° | 180.0° |
| C10 | C9 | C8 | H12 | 160.2° | 60.1° |
| C10 | C9 | C8 | H13 | 41.3° | 60.0° |
| C10 | C9 | H14 | H15 | 117.8° | 120.0° |
| C9 | C10 | N3 | H16 | 30.1° | 0.0° |
| C10 | N3 | C11 | H16 | 180.0° | 179.9° |
| C10 | N3 | C11 | C12 | 61.3° | 180.0° |
| N3 | C10 | C9 | H14 | 7.3° | 60.0° |
| N3 | C10 | C9 | H15 | 125.9° | 60.0° |
| C10 | N3 | C11 | H17 | 178.1° | 60.0° |
| C10 | N3 | C11 | H18 | 59.4° | 60.0° |
| C11 | N3 | C10 | O2 | 27.8° | 0.1° |
| N3 | C11 | C12 | H17 | 120.7° | 120.0° |
| N3 | C11 | C12 | H18 | 120.6° | 120.0° |
| N3 | C11 | C12 | N4 | 101.1° | 180.0° |
| N3 | C11 | H17 | H18 | 118.0° | 120.0° |
| N3 | C11 | C12 | H19 | 138.2° | 60.0° |
| N3 | C11 | C12 | H20 | 19.5° | 60.0° |
| O2 | C10 | C9 | H14 | 170.5° | 120.0° |
| O2 | C10 | C9 | H15 | 52.0° | 120.0° |
| O2 | C10 | N3 | H16 | 152.1° | 180.0° |
| C11 | C12 | N4 | H19 | 120.6° | 120.0° |
| C11 | C12 | N4 | H20 | 120.6° | 120.0° |
| C11 | C12 | N4 | C13 | 155.0° | 180.0° |
| C12 | C11 | N3 | H16 | 118.7° | 0.0° |
| C12 | C11 | H17 | H18 | 118.0° | 119.9° |
| C11 | C12 | H19 | H20 | 118.1° | 120.0° |
| C11 | C12 | N4 | H21 | 25.0° | 0.0° |
| C12 | N4 | C13 | H21 | 180.0° | 180.0° |
| C12 | N4 | C13 | O3 | 23.4° | 0.0° |
| C12 | N4 | C13 | C14 | 152.7° | 180.0° |
| N4 | C12 | C11 | H17 | 19.5° | 60.0° |
| N4 | C12 | C11 | H18 | 138.3° | 60.0° |
| N4 | C12 | H19 | H20 | 118.1° | 120.0° |
| N4 | C13 | O3 | C14 | 175.9° | 180.0° |
| N4 | C13 | C14 | C16 | 19.1° | 0.2° |
| N4 | C13 | C14 | C15 | 158.3° | 180.0° |
| C13 | N4 | C12 | H19 | 84.3° | 60.0° |
| C13 | N4 | C12 | H20 | 34.4° | 60.0° |
| O3 | C13 | C14 | C16 | 164.8° | 179.8° |
| O3 | C13 | C14 | C15 | 17.8° | 0.0° |
| O3 | C13 | N4 | H21 | 156.6° | 180.0° |
| C13 | C14 | C16 | C15 | 177.3° | 179.8° |
| C13 | C14 | C16 | C17 | 176.3° | 180.0° |
| C13 | C14 | C15 | C19 | 177.1° | 180.0° |
| C14 | C13 | N4 | H21 | 27.3° | 0.0° |
| C13 | C14 | C15 | H22 | 2.8° | 0.1° |
| C13 | C14 | C16 | H23 | 3.7° | 0.1° |
| C14 | C16 | C17 | H23 | 180.0° | 179.9° |
| C14 | C16 | C17 | C18 | 0.6° | 0.0° |
| C16 | C14 | C15 | C19 | 0.5° | 0.2° |
| C16 | C14 | C15 | H22 | 179.6° | 179.7° |
| C14 | C16 | C17 | H24 | 179.5° | 180.0° |
| C17 | C16 | C14 | C15 | 1.0° | 0.2° |
| C16 | C17 | C18 | H24 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.4° | 0.3° |
| C16 | C17 | C18 | C21 | 179.4° | 180.0° |
| C14 | C15 | C19 | H22 | 180.0° | 179.9° |
| C14 | C15 | C19 | C18 | 0.5° | 0.1° |
| C14 | C15 | C19 | C20 | 178.5° | 180.0° |
| C15 | C14 | C16 | H23 | 179.0° | 179.7° |
| C17 | C18 | C19 | C15 | 1.0° | 0.4° |
| C17 | C18 | C19 | C21 | 179.8° | 179.6° |
| C17 | C18 | C21 | C22 | 89.3° | 74.7° |
| C17 | C18 | C19 | C20 | 178.0° | 179.8° |
| C17 | C18 | C21 | C29 | 89.1° | 105.0° |
| C18 | C17 | C16 | H23 | 179.4° | 180.0° |
| C23 | C24 | C25 | H27 | 180.0° | 179.9° |
| C24 | C23 | C22 | H26 | 180.0° | 179.9° |
| C23 | C24 | C25 | O6 | 177.7° | 180.0° |
| C23 | C24 | C25 | C26 | 0.9° | 0.0° |
| C24 | C23 | C22 | C21 | 179.2° | 180.0° |
| C24 | C23 | C22 | C27 | 0.8° | 0.1° |
| C25 | C24 | C23 | C22 | 0.1° | 0.1° |
| C24 | C25 | O6 | C26 | 178.6° | 180.0° |
| C24 | C25 | C26 | C27 | 0.8° | 0.0° |
| C25 | C24 | C23 | H26 | 179.9° | 180.0° |
| C24 | C25 | O6 | H28 | 180.0° | 90.0° |
| C24 | C25 | C26 | H29 | 179.2° | 180.0° |
| C23 | C22 | C21 | C18 | 3.0° | 0.0° |
| C23 | C22 | C21 | C27 | 179.9° | 180.0° |
| C23 | C22 | C21 | C29 | 178.5° | 179.7° |
| C23 | C22 | C27 | C26 | 0.8° | 0.0° |
| C23 | C22 | C27 | O7 | 179.0° | 180.0° |
| C22 | C23 | C24 | H27 | 179.9° | 180.0° |
| O6 | C25 | C26 | C27 | 177.8° | 180.0° |
| O6 | C25 | C24 | H27 | 2.3° | 0.1° |
| O6 | C25 | C26 | H29 | 2.2° | 0.0° |
| C15 | C19 | C18 | C20 | 178.9° | 179.9° |
| C15 | C19 | C18 | C21 | 178.8° | 180.0° |
| C15 | C19 | C20 | O5 | 20.8° | 180.0° |
| C15 | C19 | C20 | O4 | 158.3° | 0.1° |
| C19 | C18 | C21 | C22 | 90.9° | 104.9° |
| C19 | C18 | C21 | C29 | 90.7° | 75.3° |
| C18 | C19 | C20 | O5 | 160.2° | 0.1° |
| C18 | C19 | C20 | O4 | 20.7° | 179.9° |
| C18 | C19 | C15 | H22 | 179.4° | 180.0° |
| C19 | C18 | C17 | H24 | 179.6° | 179.7° |
| C18 | C21 | C22 | C29 | 178.4° | 179.7° |
| C18 | C21 | C22 | C27 | 176.9° | 180.0° |
| C21 | C18 | C19 | C20 | 2.2° | 0.1° |
| C18 | C21 | C29 | C33 | 3.3° | 0.0° |
| C18 | C21 | C29 | C28 | 177.6° | 179.7° |
| C21 | C18 | C17 | H24 | 0.6° | 0.0° |
| C25 | C26 | C27 | C22 | 0.1° | 0.0° |
| C25 | C26 | C27 | H29 | 180.0° | 180.0° |
| C25 | C26 | C27 | O7 | 179.7° | 179.9° |
| C26 | C25 | C24 | H27 | 179.1° | 180.0° |
| C26 | C25 | O6 | H28 | 1.3° | 90.0° |
| C21 | C22 | C27 | C26 | 179.1° | 180.0° |
| C21 | C22 | C27 | O7 | 1.1° | 0.1° |
| C22 | C21 | C29 | C33 | 178.4° | 179.7° |
| C22 | C21 | C29 | C28 | 0.8° | 0.6° |
| C21 | C22 | C23 | H26 | 0.8° | 0.0° |
| C27 | C22 | C21 | C29 | 1.5° | 0.3° |
| C22 | C27 | C26 | O7 | 179.8° | 180.0° |
| C22 | C27 | O7 | C28 | 0.0° | 0.0° |
| C27 | C22 | C23 | H26 | 179.3° | 180.0° |
| C22 | C27 | C26 | H29 | 180.0° | 180.0° |
| C19 | C20 | O5 | O4 | 179.1° | 180.0° |
| C20 | C19 | C15 | H22 | 1.5° | 0.1° |
| C19 | C20 | O4 | H25 | 179.0° | 180.0° |
| C21 | C29 | C33 | C28 | 179.2° | 179.7° |
| C21 | C29 | C33 | C32 | 179.2° | 179.1° |
| C21 | C29 | C28 | O7 | 0.3° | 0.6° |
| C21 | C29 | C28 | C30 | 179.0° | 179.7° |
| C21 | C29 | C33 | H32 | 0.8° | 0.0° |
| C26 | C27 | O7 | C28 | 179.8° | 180.0° |
| C27 | O7 | C28 | C29 | 0.8° | 0.3° |
| C27 | O7 | C28 | C30 | 178.6° | 180.0° |
| O7 | C27 | C26 | H29 | 0.2° | 0.0° |
| C29 | C33 | C32 | H32 | 180.0° | 179.1° |
| C33 | C29 | C28 | O7 | 179.5° | 179.7° |
| C33 | C29 | C28 | C30 | 0.2° | 0.0° |
| C29 | C33 | C32 | C31 | 0.0° | 0.9° |
| C29 | C33 | C32 | H31 | 180.0° | 179.7° |
| C28 | C29 | C33 | C32 | 0.0° | 0.6° |
| C29 | C28 | O7 | C30 | 179.4° | 179.7° |
| C29 | C28 | C30 | C31 | 0.3° | 0.3° |
| C29 | C28 | C30 | H30 | 179.7° | 179.7° |
| C28 | C29 | C33 | H32 | 180.0° | 179.7° |
| O5 | C20 | O4 | H25 | 0.0° | 0.0° |
| C33 | C32 | C31 | H31 | 180.0° | 179.4° |
| C33 | C32 | C31 | C30 | 0.1° | 0.6° |
| C33 | C32 | C31 | O8 | 179.2° | 179.3° |
| O7 | C28 | C30 | C31 | 179.7° | 180.0° |
| O7 | C28 | C30 | H30 | 0.3° | 0.0° |
| C28 | C30 | C31 | C32 | 0.3° | 0.0° |
| C28 | C30 | C31 | H30 | 180.0° | 180.0° |
| C28 | C30 | C31 | O8 | 179.0° | 179.9° |
| C32 | C31 | C30 | O8 | 179.3° | 179.9° |
| C32 | C31 | C30 | H30 | 179.7° | 180.0° |
| C31 | C32 | C33 | H32 | 180.0° | 180.0° |
| C30 | C31 | C32 | H31 | 179.9° | 180.0° |
| O8 | C31 | C30 | H30 | 1.0° | 0.1° |
| O8 | C31 | C32 | H31 | 0.8° | 0.1° |
| H1 | N1 | C3 | H4 | 56.3° | 61.7° |
| H2 | N2 | C2 | H3 | 70.6° | 61.5° |
| H3 | C2 | C3 | H4 | 9.2° | 0.2° |
| H3 | C2 | C5 | H7 | 42.3° | 30.1° |
| H4 | C3 | C4 | H5 | 100.5° | 30.0° |
| H4 | C3 | C4 | H6 | 20.0° | 93.4° |
| H7 | C5 | C6 | H8 | 163.9° | 171.6° |
| H7 | C5 | C6 | H9 | 76.8° | 68.4° |
| H8 | C6 | C7 | H10 | 177.7° | 180.0° |
| H8 | C6 | C7 | H11 | 63.3° | 60.0° |
| H9 | C6 | C7 | H10 | 58.4° | 60.0° |
| H9 | C6 | C7 | H11 | 177.4° | 180.0° |
| H10 | C7 | C8 | H12 | 170.7° | 180.0° |
| H10 | C7 | C8 | H13 | 51.8° | 60.0° |
| H11 | C7 | C8 | H12 | 70.3° | 60.0° |
| H11 | C7 | C8 | H13 | 170.8° | 180.0° |
| H12 | C8 | C9 | H14 | 79.1° | 180.0° |
| H12 | C8 | C9 | H15 | 39.5° | 60.0° |
| H13 | C8 | C9 | H14 | 162.0° | 60.0° |
| H13 | C8 | C9 | H15 | 79.4° | 180.0° |
| H16 | N3 | C11 | H17 | 1.9° | 120.0° |
| H16 | N3 | C11 | H18 | 120.7° | 120.0° |
| H17 | C11 | C12 | H19 | 101.1° | 180.0° |
| H17 | C11 | C12 | H20 | 140.2° | 60.0° |
| H18 | C11 | C12 | H19 | 17.6° | 60.1° |
| H18 | C11 | C12 | H20 | 101.1° | 180.0° |
| H19 | C12 | N4 | H21 | 95.7° | 120.0° |
| H20 | C12 | N4 | H21 | 145.6° | 120.1° |
| H23 | C16 | C17 | H24 | 0.6° | 0.0° |
| H26 | C23 | C24 | H27 | 0.1° | 0.1° |
| H31 | C32 | C33 | H32 | 0.0° | 0.6° |
