J3I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C | doub | 1.30Å | 1.33Å | |
| N | C | sing | 1.37Å | 1.33Å | |
| C | N2 | sing | 1.38Å | 1.34Å | |
| N2 | C1 | sing | 1.47Å | 1.47Å | |
| N2 | C20 | sing | 1.47Å | 1.47Å | |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C20 | C19 | sing | 1.53Å | 1.54Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C18 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C3 | sing | 1.53Å | 1.53Å | |
| C17 | C16 | sing | 1.38Å | 1.37Å | Aromatic |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| O1 | C10 | doub | 1.21Å | 1.22Å | |
| C12 | C13 | sing | 1.51Å | 1.51Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| N5 | C11 | sing | 1.47Å | 1.49Å | |
| C16 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.51Å | 1.53Å | |
| C10 | N4 | sing | 1.35Å | 1.35Å | |
| N3 | C4 | sing | 1.47Å | 1.46Å | |
| N3 | C5 | sing | 1.35Å | 1.33Å | |
| C14 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | N4 | sing | 1.47Å | 1.47Å | |
| C6 | C5 | sing | 1.51Å | 1.53Å | |
| C6 | C7 | sing | 1.54Å | 1.54Å | |
| N4 | C9 | sing | 1.47Å | 1.48Å | |
| C5 | O | doub | 1.21Å | 1.23Å | |
| C9 | C8 | sing | 1.55Å | 1.51Å | |
| C7 | C8 | sing | 1.55Å | 1.51Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.08Å | 1.08Å | |
| C18 | H15 | sing | 1.08Å | 1.08Å | |
| N | H16 | sing | 0.97Å | 1.00Å | |
| N | H17 | sing | 0.97Å | 1.00Å | |
| C14 | H18 | sing | 1.08Å | 1.08Å | |
| C16 | H19 | sing | 1.08Å | 1.08Å | |
| C17 | H20 | sing | 1.08Å | 1.08Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C20 | H23 | sing | 1.09Å | 1.10Å | |
| C20 | H24 | sing | 1.09Å | 1.10Å | |
| C7 | H25 | sing | 1.09Å | 1.10Å | |
| C7 | H26 | sing | 1.09Å | 1.10Å | |
| C8 | H27 | sing | 1.09Å | 1.10Å | |
| C8 | H28 | sing | 1.09Å | 1.10Å | |
| N1 | H29 | sing | 0.97Å | 1.00Å | |
| N3 | H30 | sing | 0.97Å | 1.00Å | |
| N5 | H31 | sing | 1.01Å | 1.00Å | |
| N5 | H32 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C | N | 117.9° | 120.0° |
| N1 | C | N2 | 121.0° | 120.0° |
| C | N1 | H29 | 112.0° | 120.0° |
| N | C | N2 | 120.9° | 120.0° |
| C | N | H16 | 120.0° | 120.0° |
| C | N | H17 | 120.0° | 120.0° |
| C | N2 | C1 | 117.1° | 120.6° |
| C | N2 | C20 | 118.8° | 120.7° |
| C1 | N2 | C20 | 114.7° | 118.7° |
| N2 | C1 | C2 | 110.6° | 108.8° |
| N2 | C1 | H1 | 109.2° | 109.6° |
| N2 | C1 | H2 | 109.2° | 109.7° |
| N2 | C20 | C19 | 112.1° | 108.8° |
| N2 | C20 | H23 | 108.8° | 109.6° |
| N2 | C20 | H24 | 108.8° | 109.7° |
| C1 | C2 | C3 | 112.0° | 109.3° |
| C2 | C1 | H1 | 109.2° | 109.6° |
| C2 | C1 | H2 | 109.2° | 109.6° |
| C1 | C2 | H3 | 108.8° | 109.5° |
| C1 | C2 | H4 | 108.9° | 109.5° |
| C20 | C19 | C3 | 112.5° | 109.3° |
| C20 | C19 | H21 | 108.7° | 109.5° |
| C20 | C19 | H22 | 108.7° | 109.5° |
| C19 | C20 | H23 | 108.8° | 109.6° |
| C19 | C20 | H24 | 108.8° | 109.6° |
| C2 | C3 | C19 | 108.8° | 109.6° |
| C2 | C3 | C4 | 119.4° | 109.4° |
| C3 | C2 | H3 | 108.8° | 109.5° |
| C3 | C2 | H4 | 108.8° | 109.5° |
| C2 | C3 | H5 | 104.6° | 109.5° |
| C17 | C18 | C13 | 120.9° | 120.0° |
| C18 | C17 | C16 | 120.2° | 120.0° |
| C17 | C18 | H15 | 119.5° | 120.0° |
| C18 | C17 | H20 | 119.9° | 120.0° |
| C18 | C13 | C12 | 120.7° | 120.0° |
| C18 | C13 | C14 | 118.1° | 120.0° |
| C13 | C18 | H15 | 119.5° | 120.0° |
| C19 | C3 | C4 | 113.5° | 109.5° |
| C19 | C3 | H5 | 104.4° | 109.5° |
| C3 | C19 | H21 | 108.7° | 109.5° |
| C3 | C19 | H22 | 108.7° | 109.5° |
| C17 | C16 | C15 | 119.8° | 120.0° |
| C17 | C16 | H19 | 120.1° | 120.0° |
| C16 | C17 | H20 | 119.9° | 119.9° |
| C3 | C4 | N3 | 109.7° | 109.4° |
| C4 | C3 | H5 | 104.6° | 109.4° |
| C3 | C4 | H6 | 109.4° | 109.5° |
| C3 | C4 | H7 | 109.4° | 109.4° |
| O1 | C10 | C11 | 118.5° | 120.0° |
| O1 | C10 | N4 | 122.1° | 120.0° |
| C13 | C12 | C11 | 114.7° | 109.4° |
| C12 | C13 | C14 | 121.1° | 120.0° |
| C13 | C12 | H12 | 108.1° | 109.5° |
| C13 | C12 | H13 | 108.2° | 109.5° |
| C12 | C11 | N5 | 107.8° | 109.5° |
| C12 | C11 | C10 | 112.0° | 109.5° |
| C12 | C11 | H11 | 109.7° | 109.5° |
| C11 | C12 | H12 | 108.2° | 109.5° |
| C11 | C12 | H13 | 108.1° | 109.4° |
| C13 | C14 | C15 | 120.8° | 120.0° |
| C13 | C14 | H18 | 119.6° | 120.0° |
| N5 | C11 | C10 | 107.2° | 109.4° |
| N5 | C11 | H11 | 110.3° | 109.5° |
| C11 | N5 | H31 | 109.5° | 111.0° |
| C11 | N5 | H32 | 109.5° | 111.0° |
| C16 | C15 | C14 | 120.2° | 120.0° |
| C16 | C15 | H14 | 120.0° | 120.0° |
| C15 | C16 | H19 | 120.1° | 120.0° |
| C11 | C10 | N4 | 119.4° | 120.0° |
| C10 | C11 | H11 | 109.8° | 109.5° |
| C10 | N4 | C6 | 119.4° | 125.6° |
| C10 | N4 | C9 | 127.4° | 125.7° |
| C4 | N3 | C5 | 121.0° | 120.0° |
| N3 | C4 | H6 | 109.4° | 109.5° |
| N3 | C4 | H7 | 109.4° | 109.5° |
| C4 | N3 | H30 | 119.5° | 120.0° |
| N3 | C5 | C6 | 117.2° | 120.0° |
| N3 | C5 | O | 122.9° | 120.0° |
| C5 | N3 | H30 | 119.5° | 120.0° |
| C14 | C15 | H14 | 119.9° | 120.0° |
| C15 | C14 | H18 | 119.6° | 120.0° |
| N4 | C6 | C5 | 109.2° | 109.9° |
| N4 | C6 | C7 | 103.8° | 107.3° |
| C6 | N4 | C9 | 113.1° | 108.7° |
| N4 | C6 | H8 | 111.8° | 109.9° |
| C5 | C6 | C7 | 110.2° | 109.9° |
| C6 | C5 | O | 119.9° | 120.0° |
| C5 | C6 | H8 | 110.9° | 109.9° |
| C6 | C7 | C8 | 105.9° | 102.9° |
| C7 | C6 | H8 | 110.7° | 110.0° |
| C6 | C7 | H25 | 110.4° | 110.7° |
| C6 | C7 | H26 | 110.4° | 110.7° |
| N4 | C9 | C8 | 103.3° | 104.8° |
| N4 | C9 | H9 | 111.0° | 110.3° |
| N4 | C9 | H10 | 111.0° | 110.5° |
| C9 | C8 | C7 | 106.9° | 101.6° |
| C8 | C9 | H9 | 111.0° | 110.4° |
| C8 | C9 | H10 | 111.0° | 110.4° |
| C9 | C8 | H27 | 110.1° | 111.0° |
| C9 | C8 | H28 | 110.1° | 111.0° |
| C8 | C7 | H25 | 110.4° | 110.7° |
| C8 | C7 | H26 | 110.4° | 110.8° |
| C7 | C8 | H27 | 110.1° | 111.0° |
| C7 | C8 | H28 | 110.1° | 111.0° |
| H1 | C1 | H2 | 109.5° | 109.6° |
| H3 | C2 | H4 | 109.5° | 109.6° |
| H6 | C4 | H7 | 109.5° | 109.5° |
| H9 | C9 | H10 | 109.5° | 110.3° |
| H12 | C12 | H13 | 109.5° | 109.5° |
| H16 | N | H17 | 120.0° | 120.0° |
| H21 | C19 | H22 | 109.5° | 109.5° |
| H23 | C20 | H24 | 109.5° | 109.5° |
| H25 | C7 | H26 | 109.5° | 110.8° |
| H27 | C8 | H28 | 109.5° | 110.9° |
| H31 | N5 | H32 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C | N | N2 | 176.4° | 180.0° |
| N1 | C | N2 | C1 | 27.3° | 174.3° |
| N1 | C | N2 | C20 | 172.0° | 5.6° |
| N1 | C | N | H16 | 176.4° | 175.1° |
| N1 | C | N | H17 | 3.6° | 5.0° |
| N | C | N2 | C1 | 156.5° | 5.7° |
| N | C | N2 | C20 | 11.8° | 174.3° |
| C | N | H16 | H17 | 180.0° | 179.9° |
| N | C | N1 | H29 | 176.4° | 174.7° |
| C | N2 | C1 | C20 | 146.1° | 179.9° |
| C | N2 | C1 | C2 | 159.8° | 126.4° |
| C | N2 | C20 | C19 | 164.0° | 126.4° |
| C | N2 | C1 | H1 | 80.0° | 6.6° |
| C | N2 | C1 | H2 | 39.6° | 113.8° |
| N2 | C | N | H16 | 0.0° | 5.0° |
| N2 | C | N | H17 | 180.0° | 175.0° |
| C | N2 | C20 | H23 | 43.6° | 113.8° |
| C | N2 | C20 | H24 | 75.6° | 6.5° |
| N2 | C | N1 | H29 | 0.0° | 5.4° |
| N2 | C1 | C2 | H1 | 120.1° | 119.8° |
| N2 | C1 | C2 | H2 | 120.2° | 119.9° |
| C1 | N2 | C20 | C19 | 50.5° | 53.6° |
| N2 | C1 | C2 | C3 | 57.8° | 54.6° |
| N2 | C1 | H1 | H2 | 119.5° | 120.4° |
| N2 | C1 | C2 | H3 | 178.1° | 174.6° |
| N2 | C1 | C2 | H4 | 62.6° | 65.3° |
| C1 | N2 | C20 | H23 | 170.9° | 66.2° |
| C1 | N2 | C20 | H24 | 69.9° | 173.5° |
| C20 | N2 | C1 | C2 | 54.1° | 53.6° |
| N2 | C20 | C19 | H23 | 120.4° | 119.8° |
| N2 | C20 | C19 | H24 | 120.4° | 120.0° |
| N2 | C20 | C19 | C3 | 49.9° | 54.6° |
| C20 | N2 | C1 | H1 | 66.1° | 173.3° |
| C20 | N2 | C1 | H2 | 174.2° | 66.3° |
| N2 | C20 | C19 | H21 | 70.6° | 174.6° |
| N2 | C20 | C19 | H22 | 170.3° | 65.4° |
| N2 | C20 | H23 | H24 | 118.8° | 120.4° |
| C1 | C2 | C3 | H3 | 120.4° | 119.9° |
| C1 | C2 | C3 | H4 | 120.4° | 119.9° |
| C1 | C2 | C3 | C19 | 57.3° | 61.4° |
| C1 | C2 | C3 | C4 | 170.4° | 178.6° |
| C2 | C1 | H1 | H2 | 119.5° | 120.3° |
| C1 | C2 | H3 | H4 | 118.9° | 120.1° |
| C1 | C2 | C3 | H5 | 53.9° | 58.7° |
| C20 | C19 | C3 | C2 | 53.1° | 61.4° |
| C20 | C19 | C3 | H21 | 120.5° | 119.9° |
| C20 | C19 | C3 | H22 | 120.4° | 119.9° |
| C20 | C19 | C3 | C4 | 171.5° | 178.6° |
| C20 | C19 | C3 | H5 | 58.2° | 58.7° |
| C20 | C19 | H21 | H22 | 118.6° | 120.0° |
| C19 | C20 | H23 | H24 | 118.8° | 120.3° |
| C2 | C3 | C19 | C4 | 135.4° | 120.0° |
| C2 | C3 | C19 | H5 | 111.3° | 120.1° |
| C2 | C3 | C4 | H5 | 116.5° | 120.0° |
| C2 | C3 | C4 | N3 | 71.1° | 175.0° |
| C3 | C2 | C1 | H1 | 62.4° | 174.4° |
| C3 | C2 | C1 | H2 | 178.0° | 65.3° |
| C3 | C2 | H3 | H4 | 118.9° | 120.1° |
| C2 | C3 | C4 | H6 | 168.8° | 55.0° |
| C2 | C3 | C4 | H7 | 48.9° | 65.0° |
| C2 | C3 | C19 | H21 | 67.4° | 178.7° |
| C2 | C3 | C19 | H22 | 173.5° | 58.6° |
| C17 | C18 | C13 | H15 | 180.0° | 180.0° |
| C18 | C17 | C16 | H20 | 180.0° | 180.0° |
| C17 | C18 | C13 | C12 | 178.7° | 180.0° |
| C17 | C18 | C13 | C14 | 0.1° | 0.2° |
| C18 | C17 | C16 | C15 | 0.3° | 0.3° |
| C18 | C17 | C16 | H19 | 179.8° | 180.0° |
| C13 | C18 | C17 | C16 | 0.4° | 0.0° |
| C18 | C13 | C12 | C14 | 178.7° | 179.8° |
| C18 | C13 | C12 | C11 | 117.4° | 89.7° |
| C18 | C13 | C14 | C15 | 0.3° | 0.2° |
| C18 | C13 | C12 | H12 | 121.9° | 150.3° |
| C18 | C13 | C12 | H13 | 3.4° | 30.2° |
| C18 | C13 | C14 | H18 | 179.7° | 179.7° |
| C13 | C18 | C17 | H20 | 179.6° | 180.0° |
| C19 | C3 | C4 | H5 | 113.2° | 120.0° |
| C19 | C3 | C4 | N3 | 59.2° | 64.9° |
| C19 | C3 | C2 | H3 | 177.6° | 178.7° |
| C19 | C3 | C2 | H4 | 63.1° | 58.5° |
| C19 | C3 | C4 | H6 | 60.9° | 175.0° |
| C19 | C3 | C4 | H7 | 179.2° | 55.1° |
| C3 | C19 | H21 | H22 | 118.6° | 120.1° |
| C3 | C19 | C20 | H23 | 170.3° | 65.2° |
| C3 | C19 | C20 | H24 | 70.5° | 174.6° |
| C17 | C16 | C15 | H19 | 180.0° | 179.7° |
| C17 | C16 | C15 | C14 | 0.1° | 0.3° |
| C17 | C16 | C15 | H14 | 179.9° | 179.7° |
| C16 | C17 | C18 | H15 | 179.6° | 180.0° |
| C3 | C4 | N3 | H6 | 120.0° | 120.0° |
| C3 | C4 | N3 | H7 | 120.0° | 120.0° |
| C3 | C4 | N3 | C5 | 107.6° | 180.0° |
| C4 | C3 | C2 | H3 | 50.0° | 58.7° |
| C4 | C3 | C2 | H4 | 69.2° | 61.5° |
| C3 | C4 | H6 | H7 | 119.9° | 120.0° |
| C4 | C3 | C19 | H21 | 68.0° | 58.7° |
| C4 | C3 | C19 | H22 | 51.1° | 61.4° |
| C3 | C4 | N3 | H30 | 72.4° | 0.0° |
| O1 | C10 | C11 | C12 | 75.6° | 100.0° |
| O1 | C10 | C11 | N5 | 42.5° | 20.0° |
| O1 | C10 | C11 | N4 | 178.6° | 180.0° |
| O1 | C10 | N4 | C6 | 3.8° | 0.1° |
| O1 | C10 | N4 | C9 | 176.9° | 179.9° |
| O1 | C10 | C11 | H11 | 162.3° | 140.0° |
| C13 | C12 | C11 | H12 | 120.8° | 120.0° |
| C13 | C12 | C11 | H13 | 120.8° | 120.0° |
| C13 | C12 | C11 | N5 | 175.3° | 65.0° |
| C13 | C12 | C11 | C10 | 67.0° | 175.0° |
| C12 | C13 | C14 | C15 | 179.1° | 180.0° |
| C13 | C12 | C11 | H11 | 55.2° | 55.0° |
| C13 | C12 | H12 | H13 | 117.6° | 120.1° |
| C12 | C13 | C18 | H15 | 1.3° | 0.1° |
| C12 | C13 | C14 | H18 | 0.9° | 0.1° |
| C11 | C12 | C13 | C14 | 63.9° | 90.1° |
| C12 | C11 | N5 | C10 | 120.8° | 120.0° |
| C12 | C11 | N5 | H11 | 119.7° | 120.0° |
| C12 | C11 | C10 | H11 | 122.2° | 120.0° |
| C12 | C11 | C10 | N4 | 103.1° | 80.0° |
| C11 | C12 | H12 | H13 | 117.6° | 120.0° |
| C12 | C11 | N5 | H31 | 180.0° | 60.0° |
| C12 | C11 | N5 | H32 | 60.0° | 176.0° |
| C13 | C14 | C15 | C16 | 0.4° | 0.0° |
| C13 | C14 | C15 | H18 | 180.0° | 179.9° |
| C14 | C13 | C12 | H12 | 56.9° | 29.9° |
| C14 | C13 | C12 | H13 | 175.3° | 150.0° |
| C13 | C14 | C15 | H14 | 179.6° | 179.9° |
| C14 | C13 | C18 | H15 | 179.9° | 179.8° |
| N5 | C11 | C10 | H11 | 119.8° | 120.0° |
| N5 | C11 | C10 | N4 | 138.9° | 160.0° |
| N5 | C11 | C12 | H12 | 54.5° | 175.0° |
| N5 | C11 | C12 | H13 | 63.9° | 55.0° |
| C11 | N5 | H31 | H32 | 120.0° | 124.0° |
| C16 | C15 | C14 | H14 | 180.0° | 180.0° |
| C16 | C15 | C14 | H18 | 179.6° | 180.0° |
| C15 | C16 | C17 | H20 | 179.7° | 179.8° |
| C11 | C10 | N4 | C6 | 177.6° | 180.0° |
| C11 | C10 | N4 | C9 | 1.7° | 0.1° |
| C10 | C11 | C12 | H12 | 172.2° | 55.0° |
| C10 | C11 | C12 | H13 | 53.7° | 65.0° |
| C10 | C11 | N5 | H31 | 59.2° | 60.0° |
| C10 | C11 | N5 | H32 | 179.2° | 64.0° |
| C10 | N4 | C6 | C9 | 179.4° | 179.9° |
| C10 | N4 | C6 | C5 | 59.6° | 61.7° |
| C10 | N4 | C6 | C7 | 177.1° | 178.9° |
| C10 | N4 | C9 | C8 | 166.8° | 155.8° |
| C10 | N4 | C6 | H8 | 63.5° | 59.3° |
| C10 | N4 | C9 | H9 | 47.8° | 85.4° |
| C10 | N4 | C9 | H10 | 74.2° | 36.9° |
| N4 | C10 | C11 | H11 | 19.1° | 40.0° |
| C4 | N3 | C5 | H30 | 180.0° | 180.0° |
| C4 | N3 | C5 | C6 | 176.9° | 180.0° |
| C4 | N3 | C5 | O | 2.4° | 0.0° |
| N3 | C4 | C3 | H5 | 172.4° | 55.0° |
| N3 | C4 | H6 | H7 | 119.9° | 120.1° |
| N3 | C5 | C6 | N4 | 145.8° | 180.0° |
| N3 | C5 | C6 | O | 179.3° | 179.9° |
| N3 | C5 | C6 | C7 | 100.8° | 62.2° |
| C5 | N3 | C4 | H6 | 12.5° | 60.0° |
| C5 | N3 | C4 | H7 | 132.4° | 60.0° |
| N3 | C5 | C6 | H8 | 22.2° | 59.0° |
| C14 | C15 | C16 | H19 | 179.9° | 180.0° |
| N4 | C6 | C5 | C7 | 113.4° | 117.8° |
| N4 | C6 | C5 | H8 | 123.6° | 121.0° |
| N4 | C6 | C7 | H8 | 120.1° | 119.5° |
| N4 | C6 | C5 | O | 34.9° | 0.0° |
| C6 | N4 | C9 | C8 | 13.8° | 24.1° |
| N4 | C6 | C7 | C8 | 17.7° | 22.2° |
| C6 | N4 | C9 | H9 | 132.8° | 94.7° |
| C6 | N4 | C9 | H10 | 105.2° | 143.0° |
| N4 | C6 | C7 | H25 | 101.8° | 96.1° |
| N4 | C6 | C7 | H26 | 137.1° | 140.6° |
| C5 | C6 | C7 | H8 | 123.1° | 121.1° |
| C5 | C6 | N4 | C9 | 119.8° | 118.4° |
| C5 | C6 | C7 | C8 | 134.5° | 141.6° |
| C5 | C6 | C7 | H25 | 15.1° | 23.3° |
| C5 | C6 | C7 | H26 | 106.0° | 100.0° |
| C6 | C5 | N3 | H30 | 3.1° | 0.0° |
| C7 | C6 | N4 | C9 | 2.3° | 1.0° |
| C7 | C6 | C5 | O | 78.5° | 117.8° |
| C6 | C7 | C8 | C9 | 26.8° | 35.5° |
| C6 | C7 | C8 | H25 | 119.4° | 118.3° |
| C6 | C7 | C8 | H26 | 119.4° | 118.4° |
| C6 | C7 | H25 | H26 | 121.7° | 123.2° |
| C6 | C7 | C8 | H27 | 92.8° | 82.6° |
| C6 | C7 | C8 | H28 | 146.4° | 153.6° |
| N4 | C9 | C8 | H9 | 119.0° | 118.8° |
| N4 | C9 | C8 | H10 | 119.0° | 119.0° |
| N4 | C9 | C8 | C7 | 24.7° | 37.0° |
| C9 | N4 | C6 | H8 | 117.1° | 120.6° |
| N4 | C9 | H9 | H10 | 122.9° | 122.3° |
| N4 | C9 | C8 | H27 | 94.9° | 81.1° |
| N4 | C9 | C8 | H28 | 144.2° | 155.0° |
| O | C5 | C6 | H8 | 158.5° | 121.1° |
| O | C5 | N3 | H30 | 177.6° | 179.9° |
| C9 | C8 | C7 | H27 | 119.6° | 118.1° |
| C9 | C8 | C7 | H28 | 119.6° | 118.1° |
| C8 | C9 | H9 | H10 | 122.9° | 122.3° |
| C9 | C8 | C7 | H25 | 92.6° | 82.8° |
| C9 | C8 | C7 | H26 | 146.2° | 153.8° |
| C9 | C8 | H27 | H28 | 121.2° | 123.9° |
| C8 | C7 | C6 | H8 | 102.4° | 97.3° |
| C7 | C8 | C9 | H9 | 143.7° | 81.8° |
| C7 | C8 | C9 | H10 | 94.3° | 156.0° |
| C8 | C7 | H25 | H26 | 121.7° | 123.3° |
| C7 | C8 | H27 | H28 | 121.2° | 123.8° |
| H1 | C1 | C2 | H3 | 58.0° | 65.7° |
| H1 | C1 | C2 | H4 | 177.2° | 54.5° |
| H2 | C1 | C2 | H3 | 61.7° | 54.6° |
| H2 | C1 | C2 | H4 | 57.6° | 174.8° |
| H3 | C2 | C3 | H5 | 66.5° | 61.3° |
| H4 | C2 | C3 | H5 | 174.2° | 178.6° |
| H5 | C3 | C4 | H6 | 52.3° | 65.0° |
| H5 | C3 | C4 | H7 | 67.6° | 175.0° |
| H5 | C3 | C19 | H21 | 178.6° | 61.3° |
| H5 | C3 | C19 | H22 | 62.2° | 178.6° |
| H6 | C4 | N3 | H30 | 167.5° | 120.0° |
| H7 | C4 | N3 | H30 | 47.6° | 120.0° |
| H8 | C6 | C7 | H25 | 138.2° | 144.3° |
| H8 | C6 | C7 | H26 | 17.0° | 21.0° |
| H9 | C9 | C8 | H27 | 24.1° | 160.1° |
| H9 | C9 | C8 | H28 | 96.8° | 36.2° |
| H10 | C9 | C8 | H27 | 146.1° | 37.9° |
| H10 | C9 | C8 | H28 | 25.2° | 86.0° |
| H11 | C11 | C12 | H12 | 65.6° | 65.0° |
| H11 | C11 | C12 | H13 | 175.9° | 175.0° |
| H11 | C11 | N5 | H31 | 60.2° | 180.0° |
| H11 | C11 | N5 | H32 | 59.8° | 56.0° |
| H14 | C15 | C14 | H18 | 0.4° | 0.0° |
| H14 | C15 | C16 | H19 | 0.1° | 0.0° |
| H15 | C18 | C17 | H20 | 0.4° | 0.1° |
| H19 | C16 | C17 | H20 | 0.3° | 0.1° |
| H21 | C19 | C20 | H23 | 49.8° | 54.8° |
| H21 | C19 | C20 | H24 | 169.0° | 65.4° |
| H22 | C19 | C20 | H23 | 69.3° | 174.8° |
| H22 | C19 | C20 | H24 | 49.9° | 54.6° |
| H25 | C7 | C8 | H27 | 147.8° | 159.1° |
| H25 | C7 | C8 | H28 | 26.9° | 35.3° |
| H26 | C7 | C8 | H27 | 26.6° | 35.7° |
| H26 | C7 | C8 | H28 | 94.2° | 88.1° |
