L6G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C8 | sing | 1.53Å | 1.54Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C8 | C7 | sing | 1.53Å | 1.54Å | |
| O2 | C11 | doub | 1.21Å | 1.23Å | |
| O1 | C6 | doub | 1.21Å | 1.22Å | |
| C7 | C6 | sing | 1.51Å | 1.51Å | |
| C7 | N2 | sing | 1.48Å | 1.46Å | |
| C6 | N1 | sing | 1.37Å | 1.33Å | |
| C11 | N2 | sing | 1.38Å | 1.33Å | |
| C11 | C12 | sing | 1.52Å | 1.51Å | |
| C14 | C12 | sing | 1.53Å | 1.54Å | |
| C14 | S2 | sing | 1.82Å | 1.77Å | |
| N1 | C5 | sing | 1.48Å | 1.48Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C12 | N3 | sing | 1.45Å | 1.46Å | |
| S2 | C15 | sing | 1.77Å | 1.68Å | |
| C2 | C3 | sing | 1.51Å | 1.52Å | |
| C2 | C1 | sing | 1.53Å | 1.55Å | |
| C4 | C3 | doub | 1.31Å | 1.34Å | |
| C4 | C5 | sing | 1.51Å | 1.51Å | |
| C5 | C21 | sing | 1.53Å | 1.52Å | |
| S1 | C1 | sing | 1.81Å | 1.84Å | |
| C15 | N3 | doub | 1.29Å | 1.27Å | |
| C15 | C16 | sing | 1.48Å | 1.47Å | |
| O3 | C20 | doub | 1.21Å | 1.22Å | |
| C16 | N4 | sing | 1.33Å | 1.36Å | Aromatic |
| C16 | C17 | doub | 1.35Å | 1.40Å | Aromatic |
| C21 | C20 | sing | 1.51Å | 1.52Å | |
| C20 | N5 | sing | 1.36Å | 1.32Å | |
| N4 | C18 | doub | 1.29Å | 1.33Å | Aromatic |
| C17 | S3 | sing | 1.71Å | 1.72Å | Aromatic |
| C18 | S3 | sing | 1.71Å | 1.74Å | Aromatic |
| C18 | C19 | sing | 1.51Å | 1.50Å | |
| N5 | C19 | sing | 1.48Å | 1.47Å | |
| 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 | 1.08Å | 1.08Å | |
| C4 | H6 | sing | 1.08Å | 1.08Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.08Å | 1.08Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C21 | H25 | sing | 1.09Å | 1.10Å | |
| C21 | H26 | sing | 1.09Å | 1.10Å | |
| N1 | H27 | sing | 0.97Å | 1.00Å | |
| N2 | H28 | sing | 0.97Å | 1.00Å | |
| N5 | H31 | sing | 0.97Å | 1.00Å | |
| S1 | H32 | sing | 1.34Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C8 | C9 | 107.5° | 109.5° |
| C10 | C8 | C7 | 113.7° | 109.5° |
| C10 | C8 | H9 | 107.4° | 109.5° |
| C8 | C10 | H13 | 109.5° | 109.5° |
| C8 | C10 | H14 | 109.5° | 109.5° |
| C8 | C10 | H15 | 109.5° | 109.5° |
| C9 | C8 | C7 | 113.2° | 109.5° |
| C9 | C8 | H9 | 107.5° | 109.5° |
| C8 | C9 | H10 | 109.5° | 109.5° |
| C8 | C9 | H11 | 109.4° | 109.5° |
| C8 | C9 | H12 | 109.4° | 109.5° |
| C8 | C7 | C6 | 108.7° | 109.9° |
| C8 | C7 | N2 | 107.3° | 109.9° |
| C8 | C7 | H8 | 109.2° | 109.9° |
| C7 | C8 | H9 | 107.3° | 109.4° |
| O2 | C11 | N2 | 121.7° | 122.3° |
| O2 | C11 | C12 | 120.5° | 122.3° |
| O1 | C6 | C7 | 118.4° | 120.9° |
| O1 | C6 | N1 | 124.3° | 120.9° |
| C6 | C7 | N2 | 111.5° | 107.3° |
| C7 | C6 | N1 | 117.3° | 118.3° |
| C6 | C7 | H8 | 109.6° | 109.9° |
| C7 | N2 | C11 | 122.7° | 115.5° |
| N2 | C7 | H8 | 110.3° | 109.9° |
| C7 | N2 | H28 | 118.7° | 122.2° |
| C6 | N1 | C5 | 119.8° | 116.2° |
| C6 | N1 | H27 | 120.1° | 121.9° |
| N2 | C11 | C12 | 117.8° | 115.3° |
| C11 | N2 | H28 | 118.7° | 122.3° |
| C11 | C12 | C14 | 105.9° | 109.7° |
| C11 | C12 | C13 | 107.5° | 109.2° |
| C11 | C12 | N3 | 110.9° | 106.8° |
| C12 | C14 | S2 | 105.7° | 103.3° |
| C14 | C12 | C13 | 113.3° | 110.1° |
| C14 | C12 | N3 | 107.6° | 111.4° |
| C12 | C14 | H19 | 110.4° | 110.8° |
| C12 | C14 | H20 | 110.4° | 110.7° |
| C14 | S2 | C15 | 93.3° | 95.6° |
| S2 | C14 | H19 | 110.4° | 110.7° |
| S2 | C14 | H20 | 110.4° | 110.6° |
| N1 | C5 | C4 | 110.4° | 109.5° |
| N1 | C5 | C21 | 108.9° | 109.1° |
| N1 | C5 | H7 | 109.5° | 109.6° |
| C5 | N1 | H27 | 120.1° | 122.0° |
| C13 | C12 | N3 | 111.6° | 109.7° |
| C12 | C13 | H16 | 109.5° | 109.5° |
| C12 | C13 | H17 | 109.5° | 109.4° |
| C12 | C13 | H18 | 109.5° | 109.5° |
| C12 | N3 | C15 | 114.6° | 119.6° |
| S2 | C15 | N3 | 116.1° | 110.0° |
| S2 | C15 | C16 | 124.7° | 125.9° |
| C3 | C2 | C1 | 109.9° | 109.5° |
| C2 | C3 | C4 | 118.9° | 120.0° |
| C3 | C2 | H3 | 109.4° | 109.5° |
| C3 | C2 | H4 | 109.3° | 109.5° |
| C2 | C3 | H5 | 120.5° | 120.0° |
| C2 | C1 | S1 | 109.7° | 109.5° |
| C2 | C1 | H1 | 109.4° | 109.5° |
| C2 | C1 | H2 | 109.4° | 109.5° |
| C1 | C2 | H3 | 109.4° | 109.5° |
| C1 | C2 | H4 | 109.4° | 109.5° |
| C3 | C4 | C5 | 122.2° | 120.0° |
| C4 | C3 | H5 | 120.6° | 120.0° |
| C3 | C4 | H6 | 118.9° | 120.0° |
| C4 | C5 | C21 | 109.9° | 109.5° |
| C5 | C4 | H6 | 118.9° | 120.0° |
| C4 | C5 | H7 | 109.1° | 109.6° |
| C5 | C21 | C20 | 112.9° | 109.7° |
| C21 | C5 | H7 | 109.0° | 109.5° |
| C5 | C21 | H25 | 108.6° | 109.5° |
| C5 | C21 | H26 | 108.6° | 109.4° |
| S1 | C1 | H1 | 109.4° | 109.5° |
| S1 | C1 | H2 | 109.4° | 109.5° |
| C1 | S1 | H32 | 102.0° | 103.0° |
| N3 | C15 | C16 | 119.2° | 124.1° |
| C15 | C16 | N4 | 118.7° | 121.5° |
| C15 | C16 | C17 | 125.8° | 124.5° |
| O3 | C20 | C21 | 122.1° | 120.7° |
| O3 | C20 | N5 | 121.1° | 120.8° |
| N4 | C16 | C17 | 115.5° | 114.0° |
| C16 | N4 | C18 | 115.3° | 115.7° |
| C16 | C17 | S3 | 106.5° | 108.8° |
| C16 | C17 | H22 | 126.7° | 125.5° |
| C21 | C20 | N5 | 116.8° | 118.5° |
| C20 | C21 | H25 | 108.6° | 109.4° |
| C20 | C21 | H26 | 108.6° | 109.4° |
| C20 | N5 | C19 | 121.0° | 116.2° |
| C20 | N5 | H31 | 119.5° | 122.0° |
| N4 | C18 | S3 | 108.8° | 110.5° |
| N4 | C18 | C19 | 128.8° | 124.1° |
| C17 | S3 | C18 | 93.9° | 91.0° |
| S3 | C17 | H22 | 126.7° | 125.6° |
| S3 | C18 | C19 | 122.4° | 125.4° |
| C18 | C19 | N5 | 102.7° | 108.0° |
| C18 | C19 | H23 | 111.1° | 109.7° |
| C18 | C19 | H24 | 111.1° | 109.7° |
| N5 | C19 | H23 | 111.1° | 109.8° |
| N5 | C19 | H24 | 111.1° | 109.8° |
| C19 | N5 | H31 | 119.5° | 121.8° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H3 | C2 | H4 | 109.5° | 109.5° |
| H10 | C9 | H11 | 109.5° | 109.5° |
| H10 | C9 | H12 | 109.4° | 109.4° |
| H11 | C9 | H12 | 109.5° | 109.4° |
| H13 | C10 | H14 | 109.5° | 109.5° |
| H13 | C10 | H15 | 109.5° | 109.4° |
| H14 | C10 | H15 | 109.5° | 109.5° |
| H16 | C13 | H17 | 109.5° | 109.4° |
| H16 | C13 | H18 | 109.5° | 109.4° |
| H17 | C13 | H18 | 109.5° | 109.5° |
| H19 | C14 | H20 | 109.5° | 110.6° |
| H23 | C19 | H24 | 109.5° | 109.8° |
| H25 | C21 | H26 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C8 | C9 | C7 | 126.4° | 120.0° |
| C10 | C8 | C9 | H9 | 115.3° | 120.0° |
| C10 | C8 | C7 | H9 | 118.5° | 120.0° |
| C10 | C8 | C7 | C6 | 179.5° | 58.8° |
| C10 | C8 | C7 | N2 | 58.7° | 176.6° |
| C10 | C8 | C7 | H8 | 60.9° | 62.3° |
| C10 | C8 | C9 | H10 | 180.0° | 60.0° |
| C10 | C8 | C9 | H11 | 60.0° | 60.0° |
| C10 | C8 | C9 | H12 | 60.0° | 180.0° |
| C8 | C10 | H13 | H14 | 120.0° | 120.0° |
| C8 | C10 | H13 | H15 | 120.0° | 120.0° |
| C8 | C10 | H14 | H15 | 120.0° | 120.0° |
| C9 | C8 | C7 | H9 | 118.4° | 120.0° |
| C9 | C8 | C7 | C6 | 56.5° | 61.2° |
| C9 | C8 | C7 | N2 | 64.3° | 56.6° |
| C9 | C8 | C7 | H8 | 176.1° | 177.7° |
| C8 | C9 | H10 | H11 | 120.0° | 120.0° |
| C8 | C9 | H10 | H12 | 120.0° | 120.0° |
| C8 | C9 | H11 | H12 | 120.0° | 120.0° |
| C9 | C8 | C10 | H13 | 180.0° | 63.7° |
| C9 | C8 | C10 | H14 | 60.0° | 176.2° |
| C9 | C8 | C10 | H15 | 60.0° | 56.2° |
| C8 | C7 | C6 | O1 | 47.6° | 98.0° |
| C8 | C7 | C6 | N2 | 118.2° | 119.4° |
| C8 | C7 | C6 | H8 | 119.3° | 121.1° |
| C8 | C7 | N2 | H8 | 118.9° | 121.1° |
| C8 | C7 | C6 | N1 | 131.3° | 82.0° |
| C8 | C7 | N2 | C11 | 99.1° | 52.4° |
| C7 | C8 | C9 | H10 | 53.6° | 60.0° |
| C7 | C8 | C9 | H11 | 173.6° | 180.0° |
| C7 | C8 | C9 | H12 | 66.4° | 60.0° |
| C7 | C8 | C10 | H13 | 53.9° | 56.2° |
| C7 | C8 | C10 | H14 | 66.1° | 63.8° |
| C7 | C8 | C10 | H15 | 173.9° | 176.2° |
| C8 | C7 | N2 | H28 | 80.9° | 127.6° |
| O2 | C11 | N2 | C7 | 1.1° | 5.8° |
| O2 | C11 | N2 | C12 | 178.3° | 179.9° |
| O2 | C11 | C12 | C14 | 70.7° | 29.9° |
| O2 | C11 | C12 | C13 | 50.7° | 90.7° |
| O2 | C11 | C12 | N3 | 172.9° | 150.8° |
| O2 | C11 | N2 | H28 | 178.9° | 174.3° |
| O1 | C6 | C7 | N1 | 178.9° | 180.0° |
| O1 | C6 | C7 | N2 | 165.8° | 142.5° |
| O1 | C6 | N1 | C5 | 0.9° | 4.6° |
| O1 | C6 | C7 | H8 | 71.7° | 23.1° |
| O1 | C6 | N1 | H27 | 179.1° | 175.5° |
| C6 | C7 | N2 | H8 | 122.1° | 119.5° |
| C6 | C7 | N2 | C11 | 141.8° | 171.8° |
| C7 | C6 | N1 | C5 | 179.8° | 175.4° |
| C6 | C7 | C8 | H9 | 61.9° | 178.8° |
| C7 | C6 | N1 | H27 | 0.3° | 4.5° |
| C6 | C7 | N2 | H28 | 38.2° | 8.1° |
| N2 | C7 | C6 | N1 | 13.1° | 37.4° |
| C7 | N2 | C11 | H28 | 180.0° | 179.9° |
| C7 | N2 | C11 | C12 | 177.2° | 174.3° |
| N2 | C7 | C8 | H9 | 177.3° | 63.4° |
| C6 | N1 | C5 | H27 | 180.0° | 179.9° |
| C6 | N1 | C5 | C4 | 80.6° | 85.8° |
| C6 | N1 | C5 | C21 | 158.7° | 154.3° |
| C6 | N1 | C5 | H7 | 39.5° | 34.4° |
| N1 | C6 | C7 | H8 | 109.4° | 156.9° |
| N2 | C11 | C12 | C14 | 107.6° | 150.1° |
| N2 | C11 | C12 | C13 | 131.0° | 89.2° |
| N2 | C11 | C12 | N3 | 8.8° | 29.3° |
| C11 | N2 | C7 | H8 | 19.7° | 68.7° |
| C11 | C12 | C14 | C13 | 117.6° | 120.1° |
| C11 | C12 | C14 | N3 | 118.7° | 118.0° |
| C11 | C12 | C14 | S2 | 103.6° | 115.5° |
| C11 | C12 | C13 | N3 | 121.8° | 116.7° |
| C11 | C12 | N3 | C15 | 97.4° | 115.0° |
| C11 | C12 | C13 | H16 | 180.0° | 59.3° |
| C11 | C12 | C13 | H17 | 60.0° | 179.3° |
| C11 | C12 | C13 | H18 | 60.0° | 60.7° |
| C11 | C12 | C14 | H19 | 15.9° | 3.0° |
| C11 | C12 | C14 | H20 | 137.0° | 126.0° |
| C12 | C11 | N2 | H28 | 2.8° | 5.6° |
| C12 | C14 | S2 | H19 | 119.4° | 118.6° |
| C12 | C14 | S2 | H20 | 119.4° | 118.5° |
| C14 | C12 | C13 | N3 | 121.6° | 122.8° |
| C12 | C14 | S2 | C15 | 8.1° | 0.3° |
| C14 | C12 | N3 | C15 | 18.0° | 4.8° |
| C14 | C12 | C13 | H16 | 63.3° | 179.8° |
| C14 | C12 | C13 | H17 | 56.7° | 60.3° |
| C14 | C12 | C13 | H18 | 176.7° | 59.8° |
| C12 | C14 | H19 | H20 | 121.8° | 123.1° |
| S2 | C14 | C12 | C13 | 138.9° | 124.4° |
| S2 | C14 | C12 | N3 | 15.1° | 2.5° |
| C14 | S2 | C15 | N3 | 2.0° | 2.2° |
| C14 | S2 | C15 | C16 | 177.8° | 176.5° |
| S2 | C14 | H19 | H20 | 121.7° | 123.0° |
| N1 | C5 | C4 | C3 | 155.4° | 5.3° |
| N1 | C5 | C4 | C21 | 120.1° | 119.7° |
| N1 | C5 | C4 | H7 | 120.4° | 120.3° |
| N1 | C5 | C21 | H7 | 119.5° | 119.9° |
| N1 | C5 | C21 | C20 | 69.4° | 71.2° |
| N1 | C5 | C4 | H6 | 24.6° | 174.6° |
| N1 | C5 | C21 | H25 | 51.2° | 168.7° |
| N1 | C5 | C21 | H26 | 170.1° | 48.9° |
| C13 | C12 | N3 | C15 | 142.8° | 126.9° |
| C12 | C13 | H16 | H17 | 120.0° | 120.0° |
| C12 | C13 | H16 | H18 | 120.0° | 120.1° |
| C12 | C13 | H17 | H18 | 120.0° | 120.1° |
| C13 | C12 | C14 | H19 | 101.7° | 117.1° |
| C13 | C12 | C14 | H20 | 19.5° | 5.9° |
| C12 | N3 | C15 | S2 | 12.4° | 4.4° |
| C12 | N3 | C15 | C16 | 167.3° | 174.3° |
| N3 | C12 | C13 | H16 | 58.2° | 57.4° |
| N3 | C12 | C13 | H17 | 178.2° | 62.6° |
| N3 | C12 | C13 | H18 | 61.8° | 177.4° |
| N3 | C12 | C14 | H19 | 134.5° | 121.0° |
| N3 | C12 | C14 | H20 | 104.3° | 115.9° |
| S2 | C15 | N3 | C16 | 179.7° | 178.8° |
| S2 | C15 | C16 | N4 | 153.5° | 159.4° |
| S2 | C15 | C16 | C17 | 27.0° | 20.7° |
| C15 | S2 | C14 | H19 | 127.6° | 118.9° |
| C15 | S2 | C14 | H20 | 111.3° | 118.2° |
| C3 | C2 | C1 | H3 | 120.1° | 120.0° |
| C3 | C2 | C1 | H4 | 120.1° | 120.0° |
| C2 | C3 | C4 | H5 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 180.0° | 180.0° |
| C3 | C2 | C1 | S1 | 168.4° | 180.0° |
| C3 | C2 | C1 | H1 | 48.4° | 60.0° |
| C3 | C2 | C1 | H2 | 71.6° | 60.0° |
| C3 | C2 | H3 | H4 | 119.8° | 120.0° |
| C2 | C3 | C4 | H6 | 0.0° | 0.0° |
| C1 | C2 | C3 | C4 | 125.3° | 125.0° |
| C2 | C1 | S1 | H1 | 120.0° | 120.0° |
| C2 | C1 | S1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H2 | 119.9° | 120.0° |
| C1 | C2 | H3 | H4 | 119.8° | 120.0° |
| C1 | C2 | C3 | H5 | 54.7° | 55.0° |
| C2 | C1 | S1 | H32 | 180.0° | 180.0° |
| C3 | C4 | C5 | H6 | 180.0° | 180.0° |
| C3 | C4 | C5 | C21 | 84.5° | 125.0° |
| C4 | C3 | C2 | H3 | 5.2° | 5.0° |
| C4 | C3 | C2 | H4 | 114.6° | 115.0° |
| C3 | C4 | C5 | H7 | 35.0° | 114.9° |
| C4 | C5 | C21 | H7 | 119.5° | 120.1° |
| C4 | C5 | C21 | C20 | 169.6° | 48.7° |
| C5 | C4 | C3 | H5 | 0.0° | 0.0° |
| C4 | C5 | C21 | H25 | 69.9° | 71.4° |
| C4 | C5 | C21 | H26 | 49.1° | 168.8° |
| C4 | C5 | N1 | H27 | 99.3° | 94.1° |
| C5 | C21 | C20 | O3 | 28.3° | 29.8° |
| C5 | C21 | C20 | H25 | 120.5° | 120.1° |
| C5 | C21 | C20 | H26 | 120.5° | 120.1° |
| C5 | C21 | C20 | N5 | 152.5° | 150.3° |
| C21 | C5 | C4 | H6 | 95.5° | 55.0° |
| C5 | C21 | H25 | H26 | 118.4° | 119.9° |
| C21 | C5 | N1 | H27 | 21.3° | 25.8° |
| S1 | C1 | H1 | H2 | 119.9° | 120.0° |
| S1 | C1 | C2 | H3 | 71.5° | 60.0° |
| S1 | C1 | C2 | H4 | 48.3° | 60.0° |
| N3 | C15 | C16 | N4 | 26.2° | 19.1° |
| N3 | C15 | C16 | C17 | 153.3° | 160.7° |
| C15 | C16 | N4 | C17 | 179.5° | 179.9° |
| C15 | C16 | N4 | C18 | 179.9° | 178.1° |
| C15 | C16 | C17 | S3 | 179.8° | 179.0° |
| C15 | C16 | C17 | H22 | 0.1° | 1.0° |
| O3 | C20 | C21 | N5 | 179.2° | 179.9° |
| O3 | C20 | N5 | C19 | 0.0° | 1.0° |
| O3 | C20 | C21 | H25 | 148.8° | 90.3° |
| O3 | C20 | C21 | H26 | 92.2° | 149.8° |
| O3 | C20 | N5 | H31 | 180.0° | 179.0° |
| N4 | C16 | C17 | S3 | 0.4° | 1.1° |
| C16 | N4 | C18 | S3 | 0.5° | 1.9° |
| C16 | N4 | C18 | C19 | 179.3° | 177.6° |
| N4 | C16 | C17 | H22 | 179.6° | 178.8° |
| C17 | C16 | N4 | C18 | 0.6° | 2.0° |
| C16 | C17 | S3 | H22 | 180.0° | 180.0° |
| C16 | C17 | S3 | C18 | 0.1° | 0.1° |
| C21 | C20 | N5 | C19 | 179.3° | 179.0° |
| C20 | C21 | C5 | H7 | 50.1° | 168.9° |
| C20 | C21 | H25 | H26 | 118.5° | 119.8° |
| C21 | C20 | N5 | H31 | 0.8° | 0.9° |
| C20 | N5 | C19 | C18 | 91.5° | 96.4° |
| C20 | N5 | C19 | H31 | 180.0° | 179.9° |
| C20 | N5 | C19 | H23 | 27.4° | 143.9° |
| C20 | N5 | C19 | H24 | 149.6° | 23.1° |
| N5 | C20 | C21 | H25 | 32.0° | 89.6° |
| N5 | C20 | C21 | H26 | 87.0° | 30.2° |
| N4 | C18 | S3 | C17 | 0.2° | 1.0° |
| N4 | C18 | S3 | C19 | 178.9° | 179.5° |
| N4 | C18 | C19 | N5 | 4.7° | 53.1° |
| N4 | C18 | C19 | H23 | 114.2° | 172.8° |
| N4 | C18 | C19 | H24 | 123.6° | 66.5° |
| C17 | S3 | C18 | C19 | 179.1° | 178.5° |
| S3 | C18 | C19 | N5 | 173.9° | 126.3° |
| C18 | S3 | C17 | H22 | 179.9° | 179.9° |
| S3 | C18 | C19 | H23 | 67.2° | 6.6° |
| S3 | C18 | C19 | H24 | 55.0° | 114.0° |
| C18 | C19 | N5 | H23 | 118.9° | 119.6° |
| C18 | C19 | N5 | H24 | 118.9° | 119.6° |
| C18 | C19 | H23 | H24 | 123.1° | 120.6° |
| C18 | C19 | N5 | H31 | 88.5° | 83.5° |
| N5 | C19 | H23 | H24 | 123.2° | 120.8° |
| H1 | C1 | C2 | H3 | 168.5° | 60.0° |
| H1 | C1 | C2 | H4 | 71.7° | 180.0° |
| H1 | C1 | S1 | H32 | 60.0° | 60.0° |
| H2 | C1 | C2 | H3 | 48.5° | NaN° |
| H2 | C1 | C2 | H4 | 168.4° | 60.0° |
| H2 | C1 | S1 | H32 | 60.0° | 60.0° |
| H3 | C2 | C3 | H5 | 174.8° | 175.0° |
| H4 | C2 | C3 | H5 | 65.4° | 65.0° |
| H5 | C3 | C4 | H6 | 180.0° | 180.0° |
| H6 | C4 | C5 | H7 | 145.0° | 65.1° |
| H7 | C5 | C21 | H25 | 170.6° | 48.8° |
| H7 | C5 | C21 | H26 | 70.4° | 71.1° |
| H7 | C5 | N1 | H27 | 140.5° | 145.7° |
| H8 | C7 | C8 | H9 | 57.6° | 57.7° |
| H8 | C7 | N2 | H28 | 160.3° | 111.4° |
| H9 | C8 | C9 | H10 | 64.7° | 180.0° |
| H9 | C8 | C9 | H11 | 55.3° | 60.0° |
| H9 | C8 | C9 | H12 | 175.3° | 60.0° |
| H9 | C8 | C10 | H13 | 64.6° | 176.2° |
| H9 | C8 | C10 | H14 | 175.4° | 56.2° |
| H9 | C8 | C10 | H15 | 55.4° | 63.8° |
| H10 | C9 | H11 | H12 | 120.0° | 119.9° |
| H13 | C10 | H14 | H15 | 120.0° | 120.0° |
| H16 | C13 | H17 | H18 | 120.0° | 119.9° |
| H23 | C19 | N5 | H31 | 152.6° | 36.2° |
| H24 | C19 | N5 | H31 | 30.4° | 156.9° |
