PRD_001256
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C1 | sing | 1.51Å | 1.53Å | |
| C1 | O1 | doub | 1.21Å | 1.23Å | |
| N1 | C2 | sing | 1.47Å | 1.48Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| C2 | C3 | sing | 1.53Å | 1.56Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.51Å | 1.39Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | C4 | doub | 1.38Å | 1.41Å | Aromatic |
| C4 | C7 | sing | 1.38Å | 1.41Å | Aromatic |
| C5 | O2 | sing | 1.36Å | 1.36Å | |
| O2 | H6 | sing | 0.97Å | 0.95Å | |
| C8 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C9 | sing | 1.39Å | 1.38Å | Aromatic |
| C10 | C6 | sing | 1.51Å | 1.41Å | |
| C6 | C8 | sing | 1.38Å | 1.40Å | Aromatic |
| C7 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C11 | sing | 1.51Å | 1.40Å | |
| C8 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| O3 | C12 | doub | 1.21Å | 1.23Å | |
| C12 | C21 | sing | 1.51Å | 1.40Å | |
| C21 | N2 | sing | 1.47Å | 1.49Å | |
| N2 | C20 | sing | 1.47Å | 1.49Å | |
| C21 | C13 | sing | 1.53Å | 1.54Å | |
| C13 | C14 | sing | 1.51Å | 1.36Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | C19 | doub | 1.37Å | 1.41Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.38Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | H17 | sing | 1.08Å | 1.08Å | |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | H18 | sing | 1.08Å | 1.08Å | |
| C18 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | H19 | sing | 1.08Å | 1.08Å | |
| C19 | C18 | sing | 1.39Å | 1.40Å | Aromatic |
| C18 | H20 | sing | 1.08Å | 1.08Å | |
| C20 | C19 | sing | 1.51Å | 1.41Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C20 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| N3 | C22 | sing | 1.47Å | 1.47Å | |
| N3 | H24 | sing | 0.97Å | 1.00Å | |
| C22 | C23 | sing | 1.51Å | 1.54Å | |
| C22 | C24 | sing | 1.53Å | 1.51Å | |
| C22 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | O4 | doub | 1.21Å | 1.23Å | |
| C24 | C25 | sing | 1.51Å | 1.40Å | |
| C24 | H26 | sing | 1.09Å | 1.10Å | |
| C24 | H27 | sing | 1.09Å | 1.10Å | |
| C25 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| C25 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C28 | sing | 1.38Å | 1.40Å | Aromatic |
| C26 | H28 | sing | 1.08Å | 1.08Å | |
| C27 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | H29 | sing | 1.08Å | 1.08Å | |
| C28 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | H30 | sing | 1.08Å | 1.08Å | |
| C29 | C30 | sing | 1.38Å | 1.40Å | Aromatic |
| C29 | H31 | sing | 1.08Å | 1.08Å | |
| C30 | H32 | sing | 1.08Å | 1.08Å | |
| N4 | C31 | sing | 1.46Å | 1.48Å | |
| N4 | H33 | sing | 0.97Å | 1.00Å | |
| C31 | C32 | sing | 1.51Å | 1.57Å | |
| C31 | C33 | sing | 1.53Å | 1.53Å | |
| C31 | H34 | sing | 1.09Å | 1.10Å | |
| C32 | O5 | doub | 1.21Å | 1.23Å | |
| C33 | C34 | sing | 1.51Å | 1.43Å | |
| C33 | H35 | sing | 1.09Å | 1.10Å | |
| C33 | H36 | sing | 1.09Å | 1.10Å | |
| C34 | C35 | doub | 1.38Å | 1.41Å | Aromatic |
| C34 | C36 | sing | 1.38Å | 1.40Å | Aromatic |
| C35 | C37 | sing | 1.38Å | 1.40Å | Aromatic |
| C35 | H37 | sing | 1.08Å | 1.08Å | |
| C36 | C38 | doub | 1.38Å | 1.40Å | Aromatic |
| C36 | H38 | sing | 1.08Å | 1.08Å | |
| C37 | C39 | doub | 1.38Å | 1.39Å | Aromatic |
| C37 | H39 | sing | 1.08Å | 1.08Å | |
| C38 | C39 | sing | 1.38Å | 1.39Å | Aromatic |
| C38 | H40 | sing | 1.08Å | 1.08Å | |
| C39 | H41 | sing | 1.08Å | 1.08Å | |
| N5 | H42 | sing | 0.97Å | 1.00Å | |
| N5 | H43 | sing | 0.97Å | 1.00Å | |
| C1 | N2 | sing | 1.35Å | 1.35Å | |
| C12 | N3 | sing | 1.35Å | 1.34Å | |
| C23 | N4 | sing | 1.35Å | 1.36Å | |
| C32 | N5 | sing | 1.35Å | 1.34Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O1 | 118.8° | 120.1° |
| C1 | C2 | N1 | 107.3° | 109.4° |
| C1 | C2 | C3 | 111.1° | 109.5° |
| C1 | C2 | H3 | 109.1° | 109.5° |
| C2 | C1 | N2 | 119.0° | 120.0° |
| O1 | C1 | N2 | 122.2° | 119.9° |
| C2 | N1 | H1 | 109.5° | 111.0° |
| C2 | N1 | H2 | 109.5° | 111.0° |
| N1 | C2 | C3 | 110.8° | 109.5° |
| N1 | C2 | H3 | 109.8° | 109.4° |
| H1 | N1 | H2 | 109.5° | 111.0° |
| C3 | C2 | H3 | 108.7° | 109.5° |
| C2 | C3 | C4 | 111.0° | 109.5° |
| C2 | C3 | H4 | 109.1° | 109.5° |
| C2 | C3 | H5 | 109.1° | 109.5° |
| C4 | C3 | H4 | 109.1° | 109.5° |
| C4 | C3 | H5 | 109.1° | 109.4° |
| C3 | C4 | C6 | 121.2° | 120.0° |
| C3 | C4 | C7 | 120.7° | 120.0° |
| H4 | C3 | H5 | 109.5° | 109.5° |
| C6 | C4 | C7 | 118.0° | 120.1° |
| C4 | C6 | C10 | 123.8° | 119.9° |
| C4 | C6 | C8 | 119.8° | 120.1° |
| C4 | C7 | C9 | 120.8° | 120.1° |
| C4 | C7 | C11 | 123.0° | 119.9° |
| C5 | O2 | H6 | 109.5° | 114.0° |
| O2 | C5 | C8 | 121.2° | 120.0° |
| O2 | C5 | C9 | 119.3° | 120.1° |
| C8 | C5 | C9 | 119.5° | 119.9° |
| C5 | C8 | C6 | 121.1° | 119.9° |
| C5 | C8 | H7 | 119.5° | 120.0° |
| C5 | C9 | C7 | 120.7° | 120.0° |
| C5 | C9 | H8 | 119.6° | 120.0° |
| C10 | C6 | C8 | 116.3° | 120.0° |
| C6 | C10 | H9 | 109.5° | 109.5° |
| C6 | C10 | H10 | 109.4° | 109.5° |
| C6 | C10 | H11 | 109.5° | 109.5° |
| C6 | C8 | H7 | 119.5° | 120.0° |
| C9 | C7 | C11 | 116.2° | 120.0° |
| C7 | C9 | H8 | 119.6° | 120.0° |
| C7 | C11 | H12 | 109.5° | 109.5° |
| C7 | C11 | H13 | 109.5° | 109.5° |
| C7 | C11 | H14 | 109.4° | 109.5° |
| H9 | C10 | H10 | 109.5° | 109.4° |
| H9 | C10 | H11 | 109.4° | 109.5° |
| H10 | C10 | H11 | 109.5° | 109.4° |
| H12 | C11 | H13 | 109.5° | 109.5° |
| H12 | C11 | H14 | 109.5° | 109.4° |
| H13 | C11 | H14 | 109.5° | 109.5° |
| O3 | C12 | C21 | 119.8° | 120.0° |
| O3 | C12 | N3 | 123.2° | 120.0° |
| C12 | C21 | N2 | 107.3° | 109.8° |
| C12 | C21 | C13 | 116.1° | 109.7° |
| C12 | C21 | H23 | 109.0° | 109.8° |
| C21 | C12 | N3 | 117.0° | 120.0° |
| C21 | N2 | C20 | 118.1° | 117.3° |
| N2 | C21 | C13 | 109.2° | 107.9° |
| N2 | C21 | H23 | 107.8° | 109.8° |
| C21 | N2 | C1 | 125.1° | 121.4° |
| N2 | C20 | C19 | 112.6° | 109.6° |
| N2 | C20 | H21 | 108.7° | 109.5° |
| N2 | C20 | H22 | 108.7° | 109.5° |
| C20 | N2 | C1 | 116.8° | 121.3° |
| C21 | C13 | C14 | 106.9° | 110.9° |
| C21 | C13 | H15 | 110.1° | 109.0° |
| C21 | C13 | H16 | 110.1° | 109.3° |
| C13 | C21 | H23 | 107.3° | 109.8° |
| C14 | C13 | H15 | 110.1° | 109.2° |
| C14 | C13 | H16 | 110.1° | 109.2° |
| C13 | C14 | C19 | 121.1° | 122.9° |
| C13 | C14 | C15 | 119.1° | 117.6° |
| H15 | C13 | H16 | 109.5° | 109.2° |
| C19 | C14 | C15 | 119.8° | 119.6° |
| C14 | C19 | C18 | 120.3° | 120.1° |
| C14 | C19 | C20 | 121.8° | 122.5° |
| C14 | C15 | C16 | 119.4° | 120.5° |
| C14 | C15 | H17 | 120.3° | 119.8° |
| C16 | C15 | H17 | 120.3° | 119.7° |
| C15 | C16 | C17 | 121.2° | 119.8° |
| C15 | C16 | H18 | 119.4° | 120.0° |
| C17 | C16 | H18 | 119.4° | 120.1° |
| C16 | C17 | C18 | 119.6° | 119.8° |
| C16 | C17 | H19 | 120.2° | 120.1° |
| C18 | C17 | H19 | 120.2° | 120.1° |
| C17 | C18 | C19 | 119.7° | 120.2° |
| C17 | C18 | H20 | 120.1° | 119.8° |
| C19 | C18 | H20 | 120.2° | 120.0° |
| C18 | C19 | C20 | 117.9° | 117.4° |
| C19 | C20 | H21 | 108.7° | 109.4° |
| C19 | C20 | H22 | 108.7° | 109.4° |
| H21 | C20 | H22 | 109.5° | 109.4° |
| C22 | N3 | H24 | 120.2° | 120.1° |
| N3 | C22 | C23 | 113.1° | 109.5° |
| N3 | C22 | C24 | 103.9° | 109.4° |
| N3 | C22 | H25 | 107.5° | 109.5° |
| C22 | N3 | C12 | 119.5° | 120.0° |
| H24 | N3 | C12 | 120.2° | 119.9° |
| C23 | C22 | C24 | 118.3° | 109.5° |
| C23 | C22 | H25 | 106.6° | 109.5° |
| C22 | C23 | O4 | 122.9° | 120.0° |
| C22 | C23 | N4 | 108.9° | 120.0° |
| C24 | C22 | H25 | 107.0° | 109.5° |
| C22 | C24 | C25 | 101.9° | 109.5° |
| C22 | C24 | H26 | 111.3° | 109.5° |
| C22 | C24 | H27 | 111.3° | 109.5° |
| O4 | C23 | N4 | 128.2° | 120.0° |
| C25 | C24 | H26 | 111.3° | 109.5° |
| C25 | C24 | H27 | 111.3° | 109.4° |
| C24 | C25 | C26 | 122.0° | 120.0° |
| C24 | C25 | C27 | 119.0° | 120.0° |
| H26 | C24 | H27 | 109.5° | 109.4° |
| C26 | C25 | C27 | 118.9° | 120.0° |
| C25 | C26 | C28 | 121.2° | 120.0° |
| C25 | C26 | H28 | 119.4° | 120.0° |
| C25 | C27 | C29 | 119.6° | 120.0° |
| C25 | C27 | H29 | 120.2° | 120.0° |
| C28 | C26 | H28 | 119.4° | 120.0° |
| C26 | C28 | C30 | 119.5° | 120.0° |
| C26 | C28 | H30 | 120.3° | 120.0° |
| C29 | C27 | H29 | 120.2° | 120.0° |
| C27 | C29 | C30 | 121.5° | 120.0° |
| C27 | C29 | H31 | 119.2° | 120.0° |
| C30 | C28 | H30 | 120.2° | 120.0° |
| C28 | C30 | C29 | 119.2° | 120.0° |
| C28 | C30 | H32 | 120.4° | 120.0° |
| C30 | C29 | H31 | 119.2° | 120.0° |
| C29 | C30 | H32 | 120.4° | 120.0° |
| C31 | N4 | H33 | 114.9° | 120.0° |
| N4 | C31 | C32 | 101.5° | 109.5° |
| N4 | C31 | C33 | 112.7° | 109.5° |
| N4 | C31 | H34 | 110.8° | 109.5° |
| C31 | N4 | C23 | 130.1° | 120.0° |
| H33 | N4 | C23 | 115.0° | 120.0° |
| C32 | C31 | C33 | 111.9° | 109.5° |
| C32 | C31 | H34 | 109.5° | 109.5° |
| C31 | C32 | O5 | 119.2° | 120.0° |
| C31 | C32 | N5 | 120.4° | 120.0° |
| C33 | C31 | H34 | 110.2° | 109.4° |
| C31 | C33 | C34 | 111.1° | 109.5° |
| C31 | C33 | H35 | 109.1° | 109.4° |
| C31 | C33 | H36 | 109.1° | 109.5° |
| O5 | C32 | N5 | 120.3° | 120.0° |
| C34 | C33 | H35 | 109.1° | 109.5° |
| C34 | C33 | H36 | 109.1° | 109.4° |
| C33 | C34 | C35 | 124.8° | 120.0° |
| C33 | C34 | C36 | 117.6° | 120.0° |
| H35 | C33 | H36 | 109.4° | 109.5° |
| C35 | C34 | C36 | 117.5° | 120.0° |
| C34 | C35 | C37 | 121.1° | 120.0° |
| C34 | C35 | H37 | 119.4° | 120.0° |
| C34 | C36 | C38 | 121.4° | 120.0° |
| C34 | C36 | H38 | 119.3° | 119.9° |
| C37 | C35 | H37 | 119.5° | 120.0° |
| C35 | C37 | C39 | 120.3° | 120.0° |
| C35 | C37 | H39 | 119.8° | 120.0° |
| C38 | C36 | H38 | 119.3° | 120.1° |
| C36 | C38 | C39 | 120.1° | 120.0° |
| C36 | C38 | H40 | 119.9° | 120.0° |
| C39 | C37 | H39 | 119.8° | 120.0° |
| C37 | C39 | C38 | 119.4° | 120.0° |
| C37 | C39 | H41 | 120.3° | 120.1° |
| C39 | C38 | H40 | 119.9° | 120.0° |
| C38 | C39 | H41 | 120.3° | 120.0° |
| H42 | N5 | H43 | 120.0° | 120.0° |
| H42 | N5 | C32 | 120.0° | 120.0° |
| H43 | N5 | C32 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O1 | N2 | 180.0° | 179.7° |
| C1 | C2 | N1 | C3 | 121.4° | 120.0° |
| C1 | C2 | N1 | H3 | 118.5° | 120.0° |
| C1 | C2 | N1 | H1 | 180.0° | 63.4° |
| C1 | C2 | N1 | H2 | 60.0° | 60.6° |
| C1 | C2 | C3 | H3 | 120.1° | 120.0° |
| C1 | C2 | C3 | C4 | 72.7° | 178.6° |
| C1 | C2 | C3 | H4 | 167.1° | 61.4° |
| C1 | C2 | C3 | H5 | 47.6° | 58.6° |
| C2 | C1 | N2 | C21 | 0.8° | 174.7° |
| C2 | C1 | N2 | C20 | 179.4° | 5.1° |
| O1 | C1 | C2 | N1 | 41.7° | 20.0° |
| O1 | C1 | C2 | C3 | 79.6° | 100.0° |
| O1 | C1 | C2 | H3 | 160.6° | 140.0° |
| O1 | C1 | N2 | C21 | 179.2° | 5.0° |
| O1 | C1 | N2 | C20 | 0.6° | 175.2° |
| C2 | N1 | H1 | H2 | 120.0° | 123.9° |
| N1 | C2 | C3 | H3 | 120.7° | 120.0° |
| N1 | C2 | C3 | C4 | 168.1° | 61.5° |
| N1 | C2 | C3 | H4 | 47.9° | 58.6° |
| N1 | C2 | C3 | H5 | 71.6° | 178.6° |
| N1 | C2 | C1 | N2 | 138.3° | 160.3° |
| H1 | N1 | C2 | C3 | 58.6° | 176.6° |
| H1 | N1 | C2 | H3 | 61.5° | 56.6° |
| H2 | N1 | C2 | C3 | 178.6° | 59.4° |
| H2 | N1 | C2 | H3 | 58.5° | 179.5° |
| C2 | C3 | C4 | H4 | 120.2° | 120.0° |
| C2 | C3 | C4 | H5 | 120.2° | 120.0° |
| C2 | C3 | H4 | H5 | 119.3° | 120.0° |
| C2 | C3 | C4 | C6 | 78.2° | 96.2° |
| C2 | C3 | C4 | C7 | 103.9° | 84.1° |
| C3 | C2 | C1 | N2 | 100.5° | 79.7° |
| H3 | C2 | C3 | C4 | 47.4° | 58.5° |
| H3 | C2 | C3 | H4 | 72.8° | 178.6° |
| H3 | C2 | C3 | H5 | 167.7° | 61.4° |
| H3 | C2 | C1 | N2 | 19.4° | 40.4° |
| C4 | C3 | H4 | H5 | 119.3° | 120.0° |
| C3 | C4 | C6 | C7 | 177.9° | 179.7° |
| C3 | C4 | C6 | C10 | 1.1° | 0.0° |
| C3 | C4 | C6 | C8 | 179.2° | 180.0° |
| C3 | C4 | C7 | C9 | 179.0° | 180.0° |
| C3 | C4 | C7 | C11 | 1.2° | 0.0° |
| H4 | C3 | C4 | C6 | 42.0° | 23.9° |
| H4 | C3 | C4 | C7 | 135.9° | 155.8° |
| H5 | C3 | C4 | C6 | 161.5° | 143.9° |
| H5 | C3 | C4 | C7 | 16.4° | 35.9° |
| C4 | C6 | C8 | C5 | 0.7° | 0.0° |
| C4 | C6 | C10 | C8 | 179.7° | 180.0° |
| C6 | C4 | C7 | C9 | 1.1° | 0.3° |
| C6 | C4 | C7 | C11 | 179.1° | 179.7° |
| C4 | C6 | C8 | H7 | 179.3° | 180.0° |
| C4 | C6 | C10 | H9 | 90.1° | 95.5° |
| C4 | C6 | C10 | H10 | 149.9° | 144.5° |
| C4 | C6 | C10 | H11 | 29.9° | 24.5° |
| C4 | C7 | C9 | C5 | 0.4° | 0.0° |
| C7 | C4 | C6 | C10 | 179.0° | 179.8° |
| C7 | C4 | C6 | C8 | 1.2° | 0.3° |
| C4 | C7 | C9 | C11 | 179.8° | 180.0° |
| C4 | C7 | C9 | H8 | 179.6° | 179.7° |
| C4 | C7 | C11 | H12 | 89.9° | 93.6° |
| C4 | C7 | C11 | H13 | 150.1° | 146.4° |
| C4 | C7 | C11 | H14 | 30.1° | 26.4° |
| O2 | C5 | C8 | C9 | 179.6° | 179.7° |
| O2 | C5 | C8 | C6 | 179.6° | 180.0° |
| O2 | C5 | C9 | C7 | 179.5° | 180.0° |
| O2 | C5 | C8 | H7 | 0.4° | 0.0° |
| O2 | C5 | C9 | H8 | 0.5° | 0.3° |
| H6 | O2 | C5 | C8 | 180.0° | 90.3° |
| H6 | O2 | C5 | C9 | 0.4° | 89.9° |
| C5 | C8 | C6 | C10 | 179.5° | 180.0° |
| C5 | C8 | C6 | H7 | 180.0° | 180.0° |
| C8 | C5 | C9 | C7 | 0.1° | 0.3° |
| C8 | C5 | C9 | H8 | 179.9° | 180.0° |
| C9 | C5 | C8 | C6 | 0.0° | 0.3° |
| C5 | C9 | C7 | H8 | 180.0° | 179.7° |
| C5 | C9 | C7 | C11 | 179.8° | 180.0° |
| C9 | C5 | C8 | H7 | 180.0° | 179.7° |
| C10 | C6 | C8 | H7 | 0.5° | 0.0° |
| C6 | C10 | H9 | H10 | 120.0° | 120.0° |
| C6 | C10 | H9 | H11 | 120.0° | 120.1° |
| C6 | C10 | H10 | H11 | 120.0° | 120.1° |
| C8 | C6 | C10 | H9 | 90.1° | 84.5° |
| C8 | C6 | C10 | H10 | 29.9° | 35.4° |
| C8 | C6 | C10 | H11 | 149.9° | 155.5° |
| C9 | C7 | C11 | H12 | 89.9° | 86.4° |
| C9 | C7 | C11 | H13 | 30.1° | 33.6° |
| C9 | C7 | C11 | H14 | 150.1° | 153.6° |
| C11 | C7 | C9 | H8 | 0.2° | 0.3° |
| C7 | C11 | H12 | H13 | 120.0° | 120.0° |
| C7 | C11 | H12 | H14 | 120.0° | 120.0° |
| C7 | C11 | H13 | H14 | 120.0° | 120.0° |
| H9 | C10 | H10 | H11 | 120.0° | 119.9° |
| H12 | C11 | H13 | H14 | 120.0° | 120.0° |
| O3 | C12 | C21 | N3 | 177.1° | 180.0° |
| O3 | C12 | C21 | N2 | 16.9° | 64.6° |
| O3 | C12 | C21 | C13 | 139.3° | 177.0° |
| O3 | C12 | C21 | H23 | 99.5° | 56.2° |
| O3 | C12 | N3 | C22 | 2.3° | 0.0° |
| O3 | C12 | N3 | H24 | 177.7° | 180.0° |
| C12 | C21 | N2 | C13 | 126.6° | 119.5° |
| C12 | C21 | N2 | H23 | 117.2° | 120.8° |
| C12 | C21 | N2 | C20 | 88.7° | 176.4° |
| C12 | C21 | C13 | H23 | 122.1° | 120.8° |
| C12 | C21 | C13 | C14 | 60.9° | 167.1° |
| C12 | C21 | C13 | H15 | 58.6° | 72.7° |
| C12 | C21 | C13 | H16 | 179.5° | 46.7° |
| C21 | C12 | N3 | C22 | 174.7° | 180.0° |
| C21 | C12 | N3 | H24 | 5.3° | 0.1° |
| C12 | C21 | N2 | C1 | 91.1° | 3.7° |
| C21 | N2 | C20 | C1 | 179.8° | 179.8° |
| N2 | C21 | C13 | H23 | 116.5° | 119.6° |
| N2 | C21 | C13 | C14 | 60.4° | 47.5° |
| N2 | C21 | C13 | H15 | 180.0° | 167.7° |
| N2 | C21 | C13 | H16 | 59.2° | 72.9° |
| C21 | N2 | C20 | C19 | 3.0° | 44.2° |
| C21 | N2 | C20 | H21 | 117.4° | 75.9° |
| C21 | N2 | C20 | H22 | 123.5° | 164.2° |
| N2 | C21 | C12 | N3 | 166.0° | 115.4° |
| C20 | N2 | C21 | C13 | 37.9° | 64.0° |
| N2 | C20 | C19 | C14 | 24.0° | 11.4° |
| N2 | C20 | C19 | C18 | 155.1° | 169.3° |
| N2 | C20 | C19 | H21 | 120.5° | 120.1° |
| N2 | C20 | C19 | H22 | 120.4° | 120.1° |
| N2 | C20 | H21 | H22 | 118.6° | 120.0° |
| C20 | N2 | C21 | H23 | 154.2° | 55.6° |
| C21 | C13 | C14 | H15 | 119.6° | 120.2° |
| C21 | C13 | C14 | H16 | 119.6° | 120.5° |
| C21 | C13 | H15 | H16 | 121.2° | 119.4° |
| C21 | C13 | C14 | C19 | 44.7° | 20.3° |
| C21 | C13 | C14 | C15 | 136.9° | 159.7° |
| C13 | C21 | N2 | C1 | 142.3° | 115.8° |
| C13 | C21 | C12 | N3 | 43.6° | 3.0° |
| C14 | C13 | H15 | H16 | 121.2° | 119.3° |
| C13 | C14 | C19 | C15 | 178.4° | 180.0° |
| C13 | C14 | C15 | C16 | 178.7° | 179.5° |
| C13 | C14 | C15 | H17 | 1.4° | 0.4° |
| C13 | C14 | C19 | C18 | 179.0° | 179.3° |
| C13 | C14 | C19 | C20 | 1.8° | 1.5° |
| C14 | C13 | C21 | H23 | 177.0° | 72.2° |
| H15 | C13 | C14 | C19 | 164.3° | 140.4° |
| H15 | C13 | C14 | C15 | 17.3° | 39.6° |
| H15 | C13 | C21 | H23 | 63.5° | 48.1° |
| H16 | C13 | C14 | C19 | 74.9° | 100.2° |
| H16 | C13 | C14 | C15 | 103.5° | 79.8° |
| H16 | C13 | C21 | H23 | 57.4° | 167.5° |
| C19 | C14 | C15 | C16 | 0.2° | 0.4° |
| C19 | C14 | C15 | H17 | 179.8° | 179.6° |
| C14 | C19 | C18 | C17 | 0.5° | 0.5° |
| C14 | C19 | C18 | C20 | 179.2° | 179.3° |
| C14 | C19 | C18 | H20 | 179.5° | 179.5° |
| C14 | C19 | C20 | H21 | 96.4° | 108.6° |
| C14 | C19 | C20 | H22 | 144.5° | 131.5° |
| C14 | C15 | C16 | H17 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.3° | 0.0° |
| C14 | C15 | C16 | H18 | 179.7° | 180.0° |
| C15 | C14 | C19 | C18 | 0.6° | 0.7° |
| C15 | C14 | C19 | C20 | 179.8° | 178.5° |
| C15 | C16 | C17 | H18 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.4° | 0.2° |
| C15 | C16 | C17 | H19 | 179.6° | 179.7° |
| H17 | C15 | C16 | C17 | 179.7° | 179.9° |
| H17 | C15 | C16 | H18 | 0.3° | 0.0° |
| C16 | C17 | C18 | H19 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.1° | 0.1° |
| C16 | C17 | C18 | H20 | 179.9° | 180.0° |
| H18 | C16 | C17 | C18 | 179.7° | 179.8° |
| H18 | C16 | C17 | H19 | 0.3° | 0.2° |
| C17 | C18 | C19 | H20 | 180.0° | 179.9° |
| C17 | C18 | C19 | C20 | 179.7° | 178.7° |
| H19 | C17 | C18 | C19 | 179.9° | 180.0° |
| H19 | C17 | C18 | H20 | 0.1° | 0.1° |
| C18 | C19 | C20 | H21 | 84.4° | 70.6° |
| C18 | C19 | C20 | H22 | 34.7° | 49.2° |
| H20 | C18 | C19 | C20 | 0.3° | 1.2° |
| C19 | C20 | H21 | H22 | 118.6° | 119.9° |
| C19 | C20 | N2 | C1 | 176.7° | 135.7° |
| H21 | C20 | N2 | C1 | 62.8° | 104.3° |
| H22 | C20 | N2 | C1 | 56.3° | 15.6° |
| H23 | C21 | N2 | C1 | 26.1° | 124.5° |
| H23 | C21 | C12 | N3 | 77.6° | 123.8° |
| C22 | N3 | H24 | C12 | 180.0° | 179.9° |
| N3 | C22 | C23 | C24 | 121.7° | 120.0° |
| N3 | C22 | C23 | H25 | 117.8° | 120.0° |
| N3 | C22 | C24 | H25 | 113.5° | 120.0° |
| N3 | C22 | C23 | O4 | 111.2° | 0.0° |
| N3 | C22 | C24 | C25 | 92.1° | 65.0° |
| N3 | C22 | C24 | H26 | 26.7° | 55.0° |
| N3 | C22 | C24 | H27 | 149.2° | 175.0° |
| N3 | C22 | C23 | N4 | 71.4° | 180.0° |
| H24 | N3 | C22 | C23 | 58.5° | 25.0° |
| H24 | N3 | C22 | C24 | 71.0° | 95.0° |
| H24 | N3 | C22 | H25 | 175.9° | 145.0° |
| C23 | C22 | C24 | H25 | 120.2° | 120.0° |
| C22 | C23 | O4 | N4 | 176.8° | 180.0° |
| C23 | C22 | C24 | C25 | 141.6° | 175.0° |
| C23 | C22 | C24 | H26 | 99.6° | 65.0° |
| C23 | C22 | C24 | H27 | 22.9° | 55.0° |
| C22 | C23 | N4 | C31 | 174.4° | 180.0° |
| C22 | C23 | N4 | H33 | 5.6° | 0.0° |
| C23 | C22 | N3 | C12 | 121.4° | 155.0° |
| C24 | C22 | C23 | O4 | 10.5° | 120.0° |
| C22 | C24 | C25 | H26 | 118.8° | 120.0° |
| C22 | C24 | C25 | H27 | 118.8° | 120.0° |
| C22 | C24 | H26 | H27 | 123.5° | 120.0° |
| C22 | C24 | C25 | C26 | 62.0° | 90.0° |
| C22 | C24 | C25 | C27 | 114.2° | 90.3° |
| C24 | C22 | N3 | C12 | 109.1° | 85.0° |
| C24 | C22 | C23 | N4 | 166.8° | 60.0° |
| H25 | C22 | C23 | O4 | 130.9° | 120.0° |
| H25 | C22 | C24 | C25 | 21.4° | 55.0° |
| H25 | C22 | C24 | H26 | 140.2° | 175.0° |
| H25 | C22 | C24 | H27 | 97.3° | 65.0° |
| H25 | C22 | N3 | C12 | 4.1° | 34.9° |
| H25 | C22 | C23 | N4 | 46.4° | 60.0° |
| O4 | C23 | N4 | C31 | 2.8° | 0.0° |
| O4 | C23 | N4 | H33 | 177.2° | 179.9° |
| C25 | C24 | H26 | H27 | 123.5° | 120.0° |
| C24 | C25 | C26 | C27 | 176.3° | 179.7° |
| C24 | C25 | C26 | C28 | 177.4° | 180.0° |
| C24 | C25 | C26 | H28 | 2.6° | 0.0° |
| C24 | C25 | C27 | C29 | 177.8° | 180.0° |
| C24 | C25 | C27 | H29 | 2.2° | 0.0° |
| H26 | C24 | C25 | C26 | 179.2° | 30.0° |
| H26 | C24 | C25 | C27 | 4.5° | 149.7° |
| H27 | C24 | C25 | C26 | 56.7° | 150.0° |
| H27 | C24 | C25 | C27 | 127.0° | 29.7° |
| C25 | C26 | C28 | H28 | 180.0° | 180.0° |
| C26 | C25 | C27 | C29 | 1.4° | 0.3° |
| C26 | C25 | C27 | H29 | 178.6° | 179.7° |
| C25 | C26 | C28 | C30 | 0.4° | 0.1° |
| C25 | C26 | C28 | H30 | 179.6° | 179.9° |
| C27 | C25 | C26 | C28 | 1.1° | 0.3° |
| C27 | C25 | C26 | H28 | 178.9° | 179.7° |
| C25 | C27 | C29 | H29 | 180.0° | 180.0° |
| C25 | C27 | C29 | C30 | 0.9° | 0.0° |
| C25 | C27 | C29 | H31 | 179.1° | 180.0° |
| C26 | C28 | C30 | H30 | 180.0° | 180.0° |
| C26 | C28 | C30 | C29 | 0.1° | 0.3° |
| C26 | C28 | C30 | H32 | 179.9° | 180.0° |
| H28 | C26 | C28 | C30 | 179.6° | 180.0° |
| H28 | C26 | C28 | H30 | 0.4° | 0.0° |
| C27 | C29 | C30 | C28 | 0.2° | 0.3° |
| C27 | C29 | C30 | H31 | 180.0° | 180.0° |
| C27 | C29 | C30 | H32 | 179.8° | 180.0° |
| H29 | C27 | C29 | C30 | 179.0° | 180.0° |
| H29 | C27 | C29 | H31 | 1.0° | 0.0° |
| C28 | C30 | C29 | H32 | 180.0° | 179.7° |
| C28 | C30 | C29 | H31 | 179.8° | 179.7° |
| H30 | C28 | C30 | C29 | 179.9° | 179.7° |
| H30 | C28 | C30 | H32 | 0.0° | 0.0° |
| H31 | C29 | C30 | H32 | 0.2° | 0.0° |
| C31 | N4 | H33 | C23 | 180.0° | 179.9° |
| N4 | C31 | C32 | C33 | 120.4° | 120.0° |
| N4 | C31 | C32 | H34 | 117.2° | 120.1° |
| N4 | C31 | C33 | H34 | 124.3° | 120.0° |
| N4 | C31 | C32 | O5 | 43.5° | 0.0° |
| N4 | C31 | C33 | C34 | 160.1° | 65.0° |
| N4 | C31 | C33 | H35 | 39.9° | 55.0° |
| N4 | C31 | C33 | H36 | 79.6° | 175.1° |
| N4 | C31 | C32 | N5 | 132.8° | 180.0° |
| H33 | N4 | C31 | C32 | 26.2° | 94.9° |
| H33 | N4 | C31 | C33 | 93.6° | 25.1° |
| H33 | N4 | C31 | H34 | 142.5° | 145.0° |
| C32 | C31 | C33 | H34 | 122.1° | 120.0° |
| C31 | C32 | O5 | N5 | 176.3° | 180.0° |
| C32 | C31 | C33 | C34 | 86.3° | 175.0° |
| C32 | C31 | C33 | H35 | 153.4° | 65.0° |
| C32 | C31 | C33 | H36 | 34.0° | 55.0° |
| C31 | C32 | N5 | H42 | 176.2° | 0.1° |
| C31 | C32 | N5 | H43 | 3.8° | 180.0° |
| C32 | C31 | N4 | C23 | 153.8° | 85.0° |
| C33 | C31 | C32 | O5 | 163.8° | 120.0° |
| C31 | C33 | C34 | H35 | 120.3° | 120.0° |
| C31 | C33 | C34 | H36 | 120.3° | 120.0° |
| C31 | C33 | H35 | H36 | 119.3° | 120.0° |
| C31 | C33 | C34 | C35 | 21.1° | 90.0° |
| C31 | C33 | C34 | C36 | 161.6° | 90.2° |
| C33 | C31 | N4 | C23 | 86.4° | 155.0° |
| C33 | C31 | C32 | N5 | 12.5° | 60.0° |
| H34 | C31 | C32 | O5 | 73.7° | 120.0° |
| H34 | C31 | C33 | C34 | 35.8° | 55.0° |
| H34 | C31 | C33 | H35 | 84.5° | 175.0° |
| H34 | C31 | C33 | H36 | 156.0° | 65.0° |
| H34 | C31 | N4 | C23 | 37.5° | 35.1° |
| H34 | C31 | C32 | N5 | 110.0° | 59.9° |
| O5 | C32 | N5 | H42 | 0.0° | 179.9° |
| O5 | C32 | N5 | H43 | 180.0° | 0.0° |
| C34 | C33 | H35 | H36 | 119.3° | 120.0° |
| C33 | C34 | C35 | C36 | 177.3° | 179.8° |
| C33 | C34 | C35 | C37 | 178.5° | 180.0° |
| C33 | C34 | C35 | H37 | 1.5° | 0.0° |
| C33 | C34 | C36 | C38 | 178.7° | 180.0° |
| C33 | C34 | C36 | H38 | 1.3° | 0.1° |
| H35 | C33 | C34 | C35 | 141.4° | 30.0° |
| H35 | C33 | C34 | C36 | 41.4° | 149.8° |
| H36 | C33 | C34 | C35 | 99.2° | 150.0° |
| H36 | C33 | C34 | C36 | 78.1° | 29.8° |
| C34 | C35 | C37 | H37 | 180.0° | 180.0° |
| C35 | C34 | C36 | C38 | 1.3° | 0.2° |
| C35 | C34 | C36 | H38 | 178.7° | 179.7° |
| C34 | C35 | C37 | C39 | 0.6° | 0.0° |
| C34 | C35 | C37 | H39 | 179.4° | 180.0° |
| C36 | C34 | C35 | C37 | 1.3° | 0.2° |
| C36 | C34 | C35 | H37 | 178.7° | 179.8° |
| C34 | C36 | C38 | H38 | 180.0° | 179.9° |
| C34 | C36 | C38 | C39 | 0.6° | 0.0° |
| C34 | C36 | C38 | H40 | 179.4° | 179.9° |
| C35 | C37 | C39 | H39 | 180.0° | 179.9° |
| C35 | C37 | C39 | C38 | 0.1° | 0.3° |
| C35 | C37 | C39 | H41 | 179.9° | 180.0° |
| H37 | C35 | C37 | C39 | 179.4° | 180.0° |
| H37 | C35 | C37 | H39 | 0.6° | 0.0° |
| C36 | C38 | C39 | C37 | 0.1° | 0.3° |
| C36 | C38 | C39 | H40 | 180.0° | 180.0° |
| C36 | C38 | C39 | H41 | 179.9° | 180.0° |
| H38 | C36 | C38 | C39 | 179.4° | 180.0° |
| H38 | C36 | C38 | H40 | 0.6° | 0.0° |
| C37 | C39 | C38 | H41 | 180.0° | 179.8° |
| C37 | C39 | C38 | H40 | 179.9° | 179.7° |
| H39 | C37 | C39 | C38 | 179.9° | 179.8° |
| H39 | C37 | C39 | H41 | 0.1° | 0.0° |
| H40 | C38 | C39 | H41 | 0.1° | 0.1° |
| H42 | N5 | H43 | C32 | 180.0° | 179.9° |
