PRD_002333
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.46Å | 1.47Å | |
| N1 | C2 | sing | 1.49Å | 1.47Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C2 | C7 | sing | 1.51Å | 1.54Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | C6 | sing | 1.53Å | 1.54Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C6 | H12 | sing | 1.09Å | 1.10Å | |
| C6 | H13 | sing | 1.09Å | 1.10Å | |
| C7 | O1 | doub | 1.21Å | 1.22Å | |
| N2 | C8 | sing | 1.48Å | 1.46Å | |
| N2 | H14 | sing | 0.97Å | 1.00Å | |
| C8 | C9 | sing | 1.51Å | 1.56Å | |
| C8 | C10 | sing | 1.53Å | 1.54Å | |
| C8 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | O2 | doub | 1.21Å | 1.23Å | |
| C10 | C11 | sing | 1.51Å | 1.52Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | H18 | sing | 1.08Å | 1.08Å | |
| C13 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | H19 | sing | 1.08Å | 1.08Å | |
| C14 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | H20 | sing | 1.08Å | 1.08Å | |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | H21 | sing | 1.08Å | 1.08Å | |
| C16 | H22 | sing | 1.08Å | 1.08Å | |
| N3 | C17 | sing | 1.47Å | 1.47Å | |
| N3 | C18 | sing | 1.50Å | 1.47Å | |
| C17 | H23 | sing | 1.09Å | 1.10Å | |
| C17 | H24 | sing | 1.09Å | 1.10Å | |
| C17 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| C18 | C23 | sing | 1.51Å | 1.55Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | C20 | sing | 1.53Å | 1.54Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C20 | C22 | sing | 1.53Å | 1.54Å | |
| C20 | H29 | sing | 1.09Å | 1.10Å | |
| C21 | H30 | sing | 1.09Å | 1.10Å | |
| C21 | H31 | sing | 1.09Å | 1.10Å | |
| C21 | H32 | sing | 1.09Å | 1.10Å | |
| C22 | H33 | sing | 1.09Å | 1.10Å | |
| C22 | H34 | sing | 1.09Å | 1.10Å | |
| C22 | H35 | sing | 1.09Å | 1.10Å | |
| C23 | O3 | doub | 1.21Å | 1.23Å | |
| N4 | C24 | sing | 1.48Å | 1.46Å | |
| N4 | H36 | sing | 0.97Å | 1.00Å | |
| C24 | C25 | sing | 1.51Å | 1.55Å | |
| C24 | C26 | sing | 1.53Å | 1.54Å | |
| C24 | H37 | sing | 1.09Å | 1.10Å | |
| C25 | O4 | doub | 1.21Å | 1.23Å | |
| C26 | C27 | sing | 1.51Å | 1.51Å | |
| C26 | H38 | sing | 1.09Å | 1.10Å | |
| C26 | H39 | sing | 1.09Å | 1.10Å | |
| C27 | C28 | doub | 1.38Å | 1.40Å | Aromatic |
| C27 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | H40 | sing | 1.08Å | 1.08Å | |
| C29 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | H41 | sing | 1.08Å | 1.08Å | |
| C30 | C32 | doub | 1.38Å | 1.39Å | Aromatic |
| C30 | H42 | sing | 1.08Å | 1.08Å | |
| C31 | C32 | sing | 1.38Å | 1.38Å | Aromatic |
| C31 | H43 | sing | 1.08Å | 1.08Å | |
| C32 | H44 | sing | 1.08Å | 1.08Å | |
| N1 | C25 | sing | 1.38Å | 1.37Å | |
| C7 | N2 | sing | 1.36Å | 1.35Å | |
| C9 | N3 | sing | 1.38Å | 1.36Å | |
| C23 | N4 | sing | 1.36Å | 1.35Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | C2 | 117.9° | 123.9° |
| N1 | C1 | H1 | 109.5° | 109.5° |
| N1 | C1 | H2 | 109.5° | 109.5° |
| N1 | C1 | H3 | 109.5° | 109.5° |
| C1 | N1 | C25 | 116.9° | 123.9° |
| N1 | C2 | C3 | 112.6° | 110.0° |
| N1 | C2 | C7 | 114.3° | 106.9° |
| N1 | C2 | H4 | 106.0° | 110.0° |
| C2 | N1 | C25 | 124.5° | 112.2° |
| H1 | C1 | H2 | 109.4° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.4° |
| H2 | C1 | H3 | 109.5° | 109.4° |
| C3 | C2 | C7 | 112.5° | 109.9° |
| C3 | C2 | H4 | 105.3° | 110.0° |
| C2 | C3 | C4 | 113.1° | 109.5° |
| C2 | C3 | H5 | 108.6° | 109.5° |
| C2 | C3 | H6 | 108.6° | 109.5° |
| C7 | C2 | H4 | 105.2° | 110.0° |
| C2 | C7 | O1 | 119.9° | 120.5° |
| C2 | C7 | N2 | 116.3° | 119.0° |
| C4 | C3 | H5 | 108.6° | 109.4° |
| C4 | C3 | H6 | 108.6° | 109.5° |
| C3 | C4 | C5 | 110.2° | 109.5° |
| C3 | C4 | C6 | 111.2° | 109.5° |
| C3 | C4 | H7 | 108.4° | 109.5° |
| H5 | C3 | H6 | 109.4° | 109.5° |
| C5 | C4 | C6 | 110.0° | 109.5° |
| C5 | C4 | H7 | 108.6° | 109.5° |
| C4 | C5 | H8 | 109.5° | 109.5° |
| C4 | C5 | H9 | 109.4° | 109.5° |
| C4 | C5 | H10 | 109.5° | 109.5° |
| C6 | C4 | H7 | 108.4° | 109.4° |
| C4 | C6 | H11 | 109.5° | 109.4° |
| C4 | C6 | H12 | 109.5° | 109.5° |
| C4 | C6 | H13 | 109.5° | 109.5° |
| H8 | C5 | H9 | 109.5° | 109.4° |
| H8 | C5 | H10 | 109.5° | 109.5° |
| H9 | C5 | H10 | 109.5° | 109.4° |
| H11 | C6 | H12 | 109.5° | 109.5° |
| H11 | C6 | H13 | 109.5° | 109.5° |
| H12 | C6 | H13 | 109.5° | 109.5° |
| O1 | C7 | N2 | 123.5° | 120.5° |
| C8 | N2 | H14 | 118.9° | 122.4° |
| N2 | C8 | C9 | 108.2° | 107.5° |
| N2 | C8 | C10 | 111.4° | 109.8° |
| N2 | C8 | H15 | 109.8° | 109.9° |
| C8 | N2 | C7 | 122.3° | 115.1° |
| H14 | N2 | C7 | 118.8° | 122.5° |
| C9 | C8 | C10 | 110.3° | 109.9° |
| C9 | C8 | H15 | 108.5° | 109.9° |
| C8 | C9 | O2 | 120.5° | 121.0° |
| C8 | C9 | N3 | 119.4° | 118.1° |
| C10 | C8 | H15 | 108.7° | 109.9° |
| C8 | C10 | C11 | 110.7° | 109.5° |
| C8 | C10 | H16 | 109.1° | 109.5° |
| C8 | C10 | H17 | 109.1° | 109.5° |
| O2 | C9 | N3 | 120.0° | 120.9° |
| C11 | C10 | H16 | 109.2° | 109.5° |
| C11 | C10 | H17 | 109.1° | 109.4° |
| C10 | C11 | C12 | 121.0° | 120.0° |
| C10 | C11 | C13 | 120.9° | 120.0° |
| H16 | C10 | H17 | 109.5° | 109.4° |
| C12 | C11 | C13 | 118.1° | 120.0° |
| C11 | C12 | C14 | 121.1° | 120.0° |
| C11 | C12 | H18 | 119.4° | 120.0° |
| C11 | C13 | C15 | 120.9° | 120.1° |
| C11 | C13 | H19 | 119.5° | 120.0° |
| C14 | C12 | H18 | 119.4° | 120.0° |
| C12 | C14 | C16 | 120.0° | 120.0° |
| C12 | C14 | H20 | 120.0° | 120.0° |
| C15 | C13 | H19 | 119.5° | 119.9° |
| C13 | C15 | C16 | 119.9° | 119.9° |
| C13 | C15 | H21 | 120.1° | 120.0° |
| C16 | C14 | H20 | 120.0° | 120.0° |
| C14 | C16 | C15 | 119.9° | 120.1° |
| C14 | C16 | H22 | 120.0° | 120.0° |
| C16 | C15 | H21 | 120.0° | 120.1° |
| C15 | C16 | H22 | 120.0° | 120.0° |
| C17 | N3 | C18 | 119.1° | 123.9° |
| N3 | C17 | H23 | 109.5° | 109.4° |
| N3 | C17 | H24 | 109.5° | 109.4° |
| N3 | C17 | H25 | 109.5° | 109.5° |
| C17 | N3 | C9 | 115.6° | 124.0° |
| N3 | C18 | C19 | 113.6° | 110.0° |
| N3 | C18 | C23 | 113.6° | 106.9° |
| N3 | C18 | H26 | 107.6° | 110.0° |
| C18 | N3 | C9 | 125.3° | 112.1° |
| H23 | C17 | H24 | 109.5° | 109.4° |
| H23 | C17 | H25 | 109.5° | 109.5° |
| H24 | C17 | H25 | 109.5° | 109.5° |
| C19 | C18 | C23 | 108.4° | 110.0° |
| C19 | C18 | H26 | 106.6° | 110.0° |
| C18 | C19 | C20 | 115.6° | 109.5° |
| C18 | C19 | H27 | 107.9° | 109.5° |
| C18 | C19 | H28 | 107.9° | 109.5° |
| C23 | C18 | H26 | 106.6° | 110.0° |
| C18 | C23 | O3 | 119.2° | 120.5° |
| C18 | C23 | N4 | 116.9° | 119.0° |
| C20 | C19 | H27 | 107.9° | 109.5° |
| C20 | C19 | H28 | 107.9° | 109.5° |
| C19 | C20 | C21 | 112.1° | 109.5° |
| C19 | C20 | C22 | 108.5° | 109.5° |
| C19 | C20 | H29 | 108.4° | 109.5° |
| H27 | C19 | H28 | 109.5° | 109.5° |
| C21 | C20 | C22 | 110.6° | 109.4° |
| C21 | C20 | H29 | 108.7° | 109.5° |
| C20 | C21 | H30 | 109.5° | 109.4° |
| C20 | C21 | H31 | 109.5° | 109.5° |
| C20 | C21 | H32 | 109.5° | 109.5° |
| C22 | C20 | H29 | 108.4° | 109.4° |
| C20 | C22 | H33 | 109.5° | 109.5° |
| C20 | C22 | H34 | 109.4° | 109.5° |
| C20 | C22 | H35 | 109.5° | 109.5° |
| H30 | C21 | H31 | 109.5° | 109.5° |
| H30 | C21 | H32 | 109.4° | 109.4° |
| H31 | C21 | H32 | 109.4° | 109.5° |
| H33 | C22 | H34 | 109.5° | 109.5° |
| H33 | C22 | H35 | 109.5° | 109.4° |
| H34 | C22 | H35 | 109.5° | 109.5° |
| O3 | C23 | N4 | 123.8° | 120.5° |
| C24 | N4 | H36 | 119.2° | 122.4° |
| N4 | C24 | C25 | 110.0° | 107.7° |
| N4 | C24 | C26 | 110.4° | 109.8° |
| N4 | C24 | H37 | 109.3° | 109.8° |
| C24 | N4 | C23 | 121.6° | 115.1° |
| H36 | N4 | C23 | 119.2° | 122.5° |
| C25 | C24 | C26 | 110.6° | 109.7° |
| C25 | C24 | H37 | 108.2° | 109.9° |
| C24 | C25 | O4 | 119.6° | 121.1° |
| C24 | C25 | N1 | 119.0° | 118.0° |
| C26 | C24 | H37 | 108.3° | 109.9° |
| C24 | C26 | C27 | 110.4° | 109.5° |
| C24 | C26 | H38 | 109.3° | 109.5° |
| C24 | C26 | H39 | 109.2° | 109.4° |
| O4 | C25 | N1 | 121.4° | 120.9° |
| C27 | C26 | H38 | 109.2° | 109.5° |
| C27 | C26 | H39 | 109.3° | 109.5° |
| C26 | C27 | C28 | 120.6° | 120.0° |
| C26 | C27 | C29 | 120.9° | 120.0° |
| H38 | C26 | H39 | 109.5° | 109.5° |
| C28 | C27 | C29 | 118.2° | 119.9° |
| C27 | C28 | C30 | 120.4° | 120.0° |
| C27 | C28 | H40 | 119.8° | 120.0° |
| C27 | C29 | C31 | 121.2° | 120.0° |
| C27 | C29 | H41 | 119.4° | 119.9° |
| C30 | C28 | H40 | 119.8° | 120.0° |
| C28 | C30 | C32 | 120.6° | 120.0° |
| C28 | C30 | H42 | 119.7° | 120.1° |
| C31 | C29 | H41 | 119.4° | 120.0° |
| C29 | C31 | C32 | 120.1° | 120.0° |
| C29 | C31 | H43 | 120.0° | 120.0° |
| C32 | C30 | H42 | 119.7° | 119.9° |
| C30 | C32 | C31 | 119.4° | 120.0° |
| C30 | C32 | H44 | 120.3° | 120.0° |
| C32 | C31 | H43 | 119.9° | 120.0° |
| C31 | C32 | H44 | 120.3° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | C2 | C25 | 169.9° | 179.7° |
| N1 | C1 | H1 | H2 | 120.0° | 120.0° |
| N1 | C1 | H1 | H3 | 120.0° | 120.0° |
| N1 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | N1 | C2 | C3 | 50.3° | 134.8° |
| C1 | N1 | C2 | C7 | 79.7° | 105.9° |
| C1 | N1 | C2 | H4 | 164.9° | 13.5° |
| C1 | N1 | C25 | C24 | 170.8° | 27.8° |
| C1 | N1 | C25 | O4 | 6.3° | 152.8° |
| C2 | N1 | C1 | H1 | 180.0° | 90.0° |
| C2 | N1 | C1 | H2 | 60.0° | 150.0° |
| C2 | N1 | C1 | H3 | 60.0° | 30.0° |
| N1 | C2 | C3 | C7 | 130.8° | 117.4° |
| N1 | C2 | C3 | H4 | 115.1° | 121.3° |
| N1 | C2 | C7 | H4 | 115.9° | 119.4° |
| N1 | C2 | C3 | C4 | 73.9° | 169.9° |
| N1 | C2 | C3 | H5 | 46.6° | 49.9° |
| N1 | C2 | C3 | H6 | 165.5° | 70.1° |
| N1 | C2 | C7 | O1 | 170.5° | 79.2° |
| C2 | N1 | C25 | C24 | 19.2° | 152.6° |
| C2 | N1 | C25 | O4 | 163.7° | 26.8° |
| N1 | C2 | C7 | N2 | 15.6° | 100.8° |
| H1 | C1 | H2 | H3 | 120.0° | 119.9° |
| H1 | C1 | N1 | C25 | 9.3° | 90.4° |
| H2 | C1 | N1 | C25 | 129.3° | 29.7° |
| H3 | C1 | N1 | C25 | 110.7° | 149.7° |
| C3 | C2 | C7 | H4 | 114.1° | 121.3° |
| C2 | C3 | C4 | H5 | 120.6° | 120.0° |
| C2 | C3 | C4 | H6 | 120.6° | 120.0° |
| C2 | C3 | H5 | H6 | 118.3° | 120.1° |
| C2 | C3 | C4 | C5 | 164.7° | 66.1° |
| C2 | C3 | C4 | C6 | 73.1° | 173.9° |
| C2 | C3 | C4 | H7 | 46.0° | 53.9° |
| C3 | C2 | C7 | O1 | 40.5° | 161.5° |
| C3 | C2 | N1 | C25 | 119.6° | 44.9° |
| C3 | C2 | C7 | N2 | 145.6° | 18.5° |
| C7 | C2 | C3 | C4 | 155.2° | 72.7° |
| C7 | C2 | C3 | H5 | 84.2° | 167.3° |
| C7 | C2 | C3 | H6 | 34.7° | 47.3° |
| C2 | C7 | O1 | N2 | 173.4° | 180.0° |
| C2 | C7 | N2 | C8 | 164.9° | 170.2° |
| C2 | C7 | N2 | H14 | 15.1° | 9.9° |
| C7 | C2 | N1 | C25 | 110.4° | 74.4° |
| H4 | C2 | C3 | C4 | 41.1° | 48.6° |
| H4 | C2 | C3 | H5 | 161.7° | 71.3° |
| H4 | C2 | C3 | H6 | 79.4° | 168.6° |
| H4 | C2 | C7 | O1 | 73.6° | 40.2° |
| H4 | C2 | N1 | C25 | 5.0° | 166.1° |
| H4 | C2 | C7 | N2 | 100.3° | 139.8° |
| C4 | C3 | H5 | H6 | 118.3° | 120.0° |
| C3 | C4 | C5 | C6 | 122.9° | 120.0° |
| C3 | C4 | C5 | H7 | 118.6° | 120.0° |
| C3 | C4 | C6 | H7 | 119.1° | 120.0° |
| C3 | C4 | C5 | H8 | 180.0° | 175.1° |
| C3 | C4 | C5 | H9 | 60.0° | 55.1° |
| C3 | C4 | C5 | H10 | 60.0° | 64.8° |
| C3 | C4 | C6 | H11 | 180.0° | 60.0° |
| C3 | C4 | C6 | H12 | 60.0° | 180.0° |
| C3 | C4 | C6 | H13 | 60.0° | 60.0° |
| H5 | C3 | C4 | C5 | 44.2° | 53.9° |
| H5 | C3 | C4 | C6 | 166.4° | 66.1° |
| H5 | C3 | C4 | H7 | 74.5° | 173.9° |
| H6 | C3 | C4 | C5 | 74.7° | 173.9° |
| H6 | C3 | C4 | C6 | 47.5° | 53.9° |
| H6 | C3 | C4 | H7 | 166.6° | 66.1° |
| C5 | C4 | C6 | H7 | 118.6° | 120.0° |
| C4 | C5 | H8 | H9 | 120.0° | 120.0° |
| C4 | C5 | H8 | H10 | 120.0° | 120.1° |
| C4 | C5 | H9 | H10 | 120.0° | 120.0° |
| C5 | C4 | C6 | H11 | 57.7° | 180.0° |
| C5 | C4 | C6 | H12 | 62.3° | 60.0° |
| C5 | C4 | C6 | H13 | 177.7° | 60.0° |
| C6 | C4 | C5 | H8 | 57.1° | 64.9° |
| C6 | C4 | C5 | H9 | 177.1° | 175.1° |
| C6 | C4 | C5 | H10 | 63.0° | 55.2° |
| C4 | C6 | H11 | H12 | 120.0° | 120.0° |
| C4 | C6 | H11 | H13 | 120.0° | 120.0° |
| C4 | C6 | H12 | H13 | 120.0° | 120.0° |
| H7 | C4 | C5 | H8 | 61.4° | 55.1° |
| H7 | C4 | C5 | H9 | 58.6° | 64.9° |
| H7 | C4 | C5 | H10 | 178.6° | 175.2° |
| H7 | C4 | C6 | H11 | 60.9° | 60.0° |
| H7 | C4 | C6 | H12 | 179.1° | 60.0° |
| H7 | C4 | C6 | H13 | 59.1° | 180.0° |
| H8 | C5 | H9 | H10 | 120.0° | 120.0° |
| H11 | C6 | H12 | H13 | 120.0° | 120.0° |
| O1 | C7 | N2 | C8 | 8.8° | 9.7° |
| O1 | C7 | N2 | H14 | 171.2° | 170.2° |
| C8 | N2 | H14 | C7 | 180.0° | 179.9° |
| N2 | C8 | C9 | C10 | 122.1° | 119.5° |
| N2 | C8 | C9 | H15 | 119.0° | 119.5° |
| N2 | C8 | C10 | H15 | 121.1° | 121.0° |
| N2 | C8 | C9 | O2 | 115.1° | 82.7° |
| N2 | C8 | C10 | C11 | 53.9° | 65.0° |
| N2 | C8 | C10 | H16 | 66.3° | 55.0° |
| N2 | C8 | C10 | H17 | 174.1° | 175.0° |
| N2 | C8 | C9 | N3 | 60.9° | 97.4° |
| H14 | N2 | C8 | C9 | 56.0° | 101.1° |
| H14 | N2 | C8 | C10 | 65.4° | 18.4° |
| H14 | N2 | C8 | H15 | 174.2° | 139.4° |
| C9 | C8 | C10 | H15 | 118.8° | 121.0° |
| C8 | C9 | O2 | N3 | 176.0° | 180.0° |
| C9 | C8 | C10 | C11 | 174.0° | 176.9° |
| C9 | C8 | C10 | H16 | 53.8° | 63.0° |
| C9 | C8 | C10 | H17 | 65.8° | 56.9° |
| C8 | C9 | N3 | C17 | 169.8° | 27.1° |
| C8 | C9 | N3 | C18 | 8.5° | 152.8° |
| C9 | C8 | N2 | C7 | 124.1° | 79.0° |
| C10 | C8 | C9 | O2 | 7.0° | 36.8° |
| C8 | C10 | C11 | H16 | 120.2° | 120.0° |
| C8 | C10 | C11 | H17 | 120.2° | 120.0° |
| C8 | C10 | H16 | H17 | 119.4° | 120.0° |
| C8 | C10 | C11 | C12 | 78.1° | 90.0° |
| C8 | C10 | C11 | C13 | 98.5° | 90.2° |
| C10 | C8 | N2 | C7 | 114.6° | 161.5° |
| C10 | C8 | C9 | N3 | 177.1° | 143.2° |
| H15 | C8 | C9 | O2 | 125.8° | 157.8° |
| H15 | C8 | C10 | C11 | 67.2° | 56.0° |
| H15 | C8 | C10 | H16 | 172.6° | 176.0° |
| H15 | C8 | C10 | H17 | 53.0° | 64.0° |
| H15 | C8 | N2 | C7 | 5.8° | 40.5° |
| H15 | C8 | C9 | N3 | 58.2° | 22.2° |
| O2 | C9 | N3 | C17 | 6.2° | 152.9° |
| O2 | C9 | N3 | C18 | 175.5° | 27.2° |
| C11 | C10 | H16 | H17 | 119.4° | 119.9° |
| C10 | C11 | C12 | C13 | 176.7° | 179.8° |
| C10 | C11 | C12 | C14 | 176.6° | 180.0° |
| C10 | C11 | C12 | H18 | 3.4° | 0.1° |
| C10 | C11 | C13 | C15 | 176.4° | 180.0° |
| C10 | C11 | C13 | H19 | 3.6° | 0.0° |
| H16 | C10 | C11 | C12 | 161.7° | 30.1° |
| H16 | C10 | C11 | C13 | 21.7° | 149.7° |
| H17 | C10 | C11 | C12 | 42.1° | 150.0° |
| H17 | C10 | C11 | C13 | 141.3° | 29.8° |
| C11 | C12 | C14 | H18 | 180.0° | 179.9° |
| C12 | C11 | C13 | C15 | 0.3° | 0.2° |
| C12 | C11 | C13 | H19 | 179.7° | 179.7° |
| C11 | C12 | C14 | C16 | 0.3° | 0.1° |
| C11 | C12 | C14 | H20 | 179.7° | 180.0° |
| C13 | C11 | C12 | C14 | 0.1° | 0.2° |
| C13 | C11 | C12 | H18 | 179.9° | 179.7° |
| C11 | C13 | C15 | H19 | 180.0° | 180.0° |
| C11 | C13 | C15 | C16 | 0.1° | 0.0° |
| C11 | C13 | C15 | H21 | 179.9° | 180.0° |
| C12 | C14 | C16 | H20 | 180.0° | 179.9° |
| C12 | C14 | C16 | C15 | 0.4° | 0.3° |
| C12 | C14 | C16 | H22 | 179.6° | 180.0° |
| H18 | C12 | C14 | C16 | 179.7° | 180.0° |
| H18 | C12 | C14 | H20 | 0.3° | 0.1° |
| C13 | C15 | C16 | C14 | 0.2° | 0.3° |
| C13 | C15 | C16 | H21 | 180.0° | 180.0° |
| C13 | C15 | C16 | H22 | 179.8° | 180.0° |
| H19 | C13 | C15 | C16 | 179.9° | 180.0° |
| H19 | C13 | C15 | H21 | 0.1° | 0.0° |
| C14 | C16 | C15 | H22 | 180.0° | 179.7° |
| C14 | C16 | C15 | H21 | 179.8° | 179.7° |
| H20 | C14 | C16 | C15 | 179.5° | 179.8° |
| H20 | C14 | C16 | H22 | 0.4° | 0.1° |
| H21 | C15 | C16 | H22 | 0.2° | 0.0° |
| C17 | N3 | C18 | C9 | 178.2° | 179.9° |
| N3 | C17 | H23 | H24 | 120.0° | 119.9° |
| N3 | C17 | H23 | H25 | 120.0° | 120.1° |
| N3 | C17 | H24 | H25 | 120.0° | 120.1° |
| C17 | N3 | C18 | C19 | 45.5° | 134.9° |
| C17 | N3 | C18 | C23 | 78.9° | 105.8° |
| C17 | N3 | C18 | H26 | 163.3° | 13.6° |
| C18 | N3 | C17 | H23 | 180.0° | 180.0° |
| C18 | N3 | C17 | H24 | 60.0° | 60.1° |
| C18 | N3 | C17 | H25 | 60.0° | 60.0° |
| N3 | C18 | C19 | C23 | 127.2° | 117.4° |
| N3 | C18 | C19 | H26 | 118.3° | 121.2° |
| N3 | C18 | C23 | H26 | 118.3° | 119.4° |
| N3 | C18 | C19 | C20 | 54.8° | 53.2° |
| N3 | C18 | C19 | H27 | 66.1° | 66.8° |
| N3 | C18 | C19 | H28 | 175.7° | 173.2° |
| N3 | C18 | C23 | O3 | 176.3° | 79.2° |
| N3 | C18 | C23 | N4 | 7.0° | 100.9° |
| H23 | C17 | H24 | H25 | 120.0° | 120.0° |
| H23 | C17 | N3 | C9 | 1.6° | 0.1° |
| H24 | C17 | N3 | C9 | 118.4° | 120.0° |
| H25 | C17 | N3 | C9 | 121.6° | 119.9° |
| C19 | C18 | C23 | H26 | 114.5° | 121.3° |
| C18 | C19 | C20 | H27 | 120.9° | 120.0° |
| C18 | C19 | C20 | H28 | 120.9° | 120.0° |
| C18 | C19 | H27 | H28 | 117.2° | 120.0° |
| C18 | C19 | C20 | C21 | 57.7° | 175.0° |
| C18 | C19 | C20 | C22 | 179.8° | 65.0° |
| C18 | C19 | C20 | H29 | 62.2° | 55.0° |
| C19 | C18 | C23 | O3 | 49.1° | 161.5° |
| C19 | C18 | N3 | C9 | 136.2° | 45.2° |
| C19 | C18 | C23 | N4 | 134.3° | 18.5° |
| C23 | C18 | C19 | C20 | 178.0° | 170.6° |
| C23 | C18 | C19 | H27 | 61.1° | 50.6° |
| C23 | C18 | C19 | H28 | 57.1° | 69.4° |
| C18 | C23 | O3 | N4 | 176.4° | 179.9° |
| C18 | C23 | N4 | C24 | 173.8° | 170.3° |
| C18 | C23 | N4 | H36 | 6.2° | 9.8° |
| C23 | C18 | N3 | C9 | 99.3° | 74.1° |
| H26 | C18 | C19 | C20 | 63.6° | 68.0° |
| H26 | C18 | C19 | H27 | 175.5° | 172.0° |
| H26 | C18 | C19 | H28 | 57.4° | 51.9° |
| H26 | C18 | C23 | O3 | 65.4° | 40.1° |
| H26 | C18 | N3 | C9 | 18.4° | 166.5° |
| H26 | C18 | C23 | N4 | 111.3° | 139.8° |
| C20 | C19 | H27 | H28 | 117.2° | 120.0° |
| C19 | C20 | C21 | C22 | 121.3° | 120.0° |
| C19 | C20 | C21 | H29 | 119.8° | 120.0° |
| C19 | C20 | C22 | H29 | 117.6° | 120.0° |
| C19 | C20 | C21 | H30 | 180.0° | 60.0° |
| C19 | C20 | C21 | H31 | 60.0° | 180.0° |
| C19 | C20 | C21 | H32 | 60.0° | 60.0° |
| C19 | C20 | C22 | H33 | 180.0° | 60.0° |
| C19 | C20 | C22 | H34 | 60.0° | 180.0° |
| C19 | C20 | C22 | H35 | 60.0° | 60.0° |
| H27 | C19 | C20 | C21 | 178.6° | 55.0° |
| H27 | C19 | C20 | C22 | 58.9° | 175.0° |
| H27 | C19 | C20 | H29 | 58.6° | 65.0° |
| H28 | C19 | C20 | C21 | 63.2° | 65.0° |
| H28 | C19 | C20 | C22 | 59.3° | 55.0° |
| H28 | C19 | C20 | H29 | 176.8° | 175.0° |
| C21 | C20 | C22 | H29 | 119.1° | 120.0° |
| C20 | C21 | H30 | H31 | 120.0° | 120.0° |
| C20 | C21 | H30 | H32 | 120.0° | 120.0° |
| C20 | C21 | H31 | H32 | 120.0° | 120.0° |
| C21 | C20 | C22 | H33 | 56.6° | 180.0° |
| C21 | C20 | C22 | H34 | 176.6° | 60.0° |
| C21 | C20 | C22 | H35 | 63.4° | 60.1° |
| C22 | C20 | C21 | H30 | 58.7° | 60.0° |
| C22 | C20 | C21 | H31 | 61.3° | 60.0° |
| C22 | C20 | C21 | H32 | 178.7° | 180.0° |
| C20 | C22 | H33 | H34 | 120.0° | 120.0° |
| C20 | C22 | H33 | H35 | 120.0° | 120.0° |
| C20 | C22 | H34 | H35 | 120.0° | 120.0° |
| H29 | C20 | C21 | H30 | 60.2° | 180.0° |
| H29 | C20 | C21 | H31 | 179.8° | 60.0° |
| H29 | C20 | C21 | H32 | 59.8° | 60.1° |
| H29 | C20 | C22 | H33 | 62.4° | 60.0° |
| H29 | C20 | C22 | H34 | 57.6° | 60.0° |
| H29 | C20 | C22 | H35 | 177.5° | 180.0° |
| H30 | C21 | H31 | H32 | 119.9° | 120.0° |
| H33 | C22 | H34 | H35 | 120.0° | 120.0° |
| O3 | C23 | N4 | C24 | 2.7° | 9.8° |
| O3 | C23 | N4 | H36 | 177.3° | 170.1° |
| C24 | N4 | H36 | C23 | 180.0° | 179.9° |
| N4 | C24 | C25 | C26 | 122.2° | 119.5° |
| N4 | C24 | C25 | H37 | 119.4° | 119.6° |
| N4 | C24 | C26 | H37 | 119.7° | 121.0° |
| N4 | C24 | C25 | O4 | 127.3° | 82.5° |
| N4 | C24 | C26 | C27 | 43.4° | 65.0° |
| N4 | C24 | C26 | H38 | 76.7° | 55.0° |
| N4 | C24 | C26 | H39 | 163.6° | 175.0° |
| N4 | C24 | C25 | N1 | 49.9° | 96.9° |
| H36 | N4 | C24 | C25 | 61.1° | 101.0° |
| H36 | N4 | C24 | C26 | 61.2° | 18.4° |
| H36 | N4 | C24 | H37 | 179.8° | 139.4° |
| C25 | C24 | C26 | H37 | 118.4° | 120.9° |
| C24 | C25 | O4 | N1 | 177.1° | 179.4° |
| C25 | C24 | C26 | C27 | 165.4° | 176.8° |
| C25 | C24 | C26 | H38 | 45.3° | 63.1° |
| C25 | C24 | C26 | H39 | 74.4° | 56.8° |
| C25 | C24 | N4 | C23 | 118.9° | 79.1° |
| C26 | C24 | C25 | O4 | 5.1° | 37.0° |
| C24 | C26 | C27 | H38 | 120.2° | 120.0° |
| C24 | C26 | C27 | H39 | 120.1° | 120.0° |
| C24 | C26 | H38 | H39 | 119.6° | 120.0° |
| C24 | C26 | C27 | C28 | 63.9° | 90.0° |
| C24 | C26 | C27 | C29 | 109.8° | 90.2° |
| C26 | C24 | C25 | N1 | 172.1° | 143.6° |
| C26 | C24 | N4 | C23 | 118.8° | 161.5° |
| H37 | C24 | C25 | O4 | 113.3° | 157.9° |
| H37 | C24 | C26 | C27 | 76.2° | 55.9° |
| H37 | C24 | C26 | H38 | 163.6° | 176.0° |
| H37 | C24 | C26 | H39 | 43.9° | 64.0° |
| H37 | C24 | C25 | N1 | 69.5° | 22.6° |
| H37 | C24 | N4 | C23 | 0.2° | 40.5° |
| C27 | C26 | H38 | H39 | 119.6° | 120.0° |
| C26 | C27 | C28 | C29 | 173.9° | 179.8° |
| C26 | C27 | C28 | C30 | 171.8° | 180.0° |
| C26 | C27 | C28 | H40 | 8.2° | 0.0° |
| C26 | C27 | C29 | C31 | 171.4° | 179.9° |
| C26 | C27 | C29 | H41 | 8.6° | 0.1° |
| H38 | C26 | C27 | C28 | 175.9° | 30.0° |
| H38 | C26 | C27 | C29 | 10.3° | 149.7° |
| H39 | C26 | C27 | C28 | 56.2° | 150.0° |
| H39 | C26 | C27 | C29 | 130.0° | 29.7° |
| C27 | C28 | C30 | H40 | 180.0° | 180.0° |
| C28 | C27 | C29 | C31 | 2.6° | 0.3° |
| C28 | C27 | C29 | H41 | 177.4° | 179.7° |
| C27 | C28 | C30 | C32 | 0.5° | 0.0° |
| C27 | C28 | C30 | H42 | 179.5° | 180.0° |
| C29 | C27 | C28 | C30 | 2.1° | 0.2° |
| C29 | C27 | C28 | H40 | 177.9° | 179.7° |
| C27 | C29 | C31 | H41 | 180.0° | 180.0° |
| C27 | C29 | C31 | C32 | 0.3° | 0.1° |
| C27 | C29 | C31 | H43 | 179.7° | 180.0° |
| C28 | C30 | C32 | H42 | 180.0° | 179.9° |
| C28 | C30 | C32 | C31 | 2.8° | 0.2° |
| C28 | C30 | C32 | H44 | 177.2° | 180.0° |
| H40 | C28 | C30 | C32 | 179.5° | 180.0° |
| H40 | C28 | C30 | H42 | 0.5° | 0.1° |
| C29 | C31 | C32 | C30 | 2.4° | 0.2° |
| C29 | C31 | C32 | H43 | 180.0° | 179.9° |
| C29 | C31 | C32 | H44 | 177.6° | 180.0° |
| H41 | C29 | C31 | C32 | 179.7° | 179.9° |
| H41 | C29 | C31 | H43 | 0.3° | 0.0° |
| C30 | C32 | C31 | H44 | 180.0° | 179.8° |
| C30 | C32 | C31 | H43 | 177.6° | 179.7° |
| H42 | C30 | C32 | C31 | 177.2° | 179.8° |
| H42 | C30 | C32 | H44 | 2.8° | 0.0° |
| H43 | C31 | C32 | H44 | 2.4° | 0.1° |
