VBA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6 | C1 | sing | 1.43Å | 1.44Å | |
| O33 | S31 | doub | 1.42Å | 1.45Å | |
| O30 | S31 | sing | 1.52Å | 1.64Å | |
| O30 | C8 | sing | 1.43Å | 1.40Å | |
| C1 | C5 | sing | 1.54Å | 1.56Å | |
| C1 | C2 | sing | 1.54Å | 1.55Å | |
| S31 | O34 | doub | 1.42Å | 1.45Å | |
| S31 | N32 | sing | 1.65Å | 1.68Å | |
| C5 | C8 | sing | 1.53Å | 1.51Å | |
| C5 | C4 | sing | 1.55Å | 1.55Å | |
| O7 | C2 | sing | 1.43Å | 1.43Å | |
| C2 | C3 | sing | 1.54Å | 1.54Å | |
| C3 | C4 | sing | 1.55Å | 1.55Å | |
| C3 | N9 | sing | 1.47Å | 1.49Å | |
| N11 | C12 | doub | 1.32Å | 1.34Å | Aromatic |
| N11 | C10 | sing | 1.33Å | 1.33Å | Aromatic |
| C12 | N13 | sing | 1.32Å | 1.34Å | Aromatic |
| N9 | C10 | sing | 1.38Å | 1.40Å | |
| C10 | C15 | doub | 1.41Å | 1.40Å | Aromatic |
| N13 | C14 | doub | 1.32Å | 1.35Å | Aromatic |
| C15 | C14 | sing | 1.40Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.47Å | 1.46Å | |
| O18 | C16 | doub | 1.22Å | 1.22Å | |
| C16 | C17 | sing | 1.48Å | 1.46Å | |
| C17 | C22 | sing | 1.41Å | 1.42Å | Aromatic |
| C17 | N19 | doub | 1.32Å | 1.34Å | Aromatic |
| C22 | C21 | doub | 1.35Å | 1.38Å | Aromatic |
| N19 | N20 | sing | 1.28Å | 1.35Å | Aromatic |
| C21 | N20 | sing | 1.36Å | 1.36Å | Aromatic |
| N20 | C23 | sing | 1.47Å | 1.44Å | |
| C25 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.41Å | Aromatic |
| C23 | C24 | sing | 1.51Å | 1.50Å | |
| C26 | C27 | sing | 1.38Å | 1.40Å | Aromatic |
| C24 | C29 | doub | 1.38Å | 1.41Å | Aromatic |
| C27 | C28 | doub | 1.38Å | 1.40Å | Aromatic |
| C29 | C28 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H6 | sing | 1.08Å | 1.08Å | |
| C22 | H7 | sing | 1.08Å | 1.08Å | |
| C26 | H8 | sing | 1.08Å | 1.08Å | |
| C28 | H9 | sing | 1.08Å | 1.08Å | |
| C25 | H10 | sing | 1.08Å | 1.08Å | |
| C27 | H11 | sing | 1.08Å | 1.08Å | |
| C29 | H12 | sing | 1.08Å | 1.08Å | |
| C23 | H13 | sing | 1.09Å | 1.10Å | |
| C23 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.08Å | 1.08Å | |
| C12 | H16 | sing | 1.08Å | 1.08Å | |
| N9 | H17 | sing | 0.97Å | 1.00Å | |
| C3 | H18 | sing | 1.09Å | 1.10Å | |
| C2 | H19 | sing | 1.09Å | 1.10Å | |
| O7 | H20 | sing | 0.97Å | 0.95Å | |
| C1 | H21 | sing | 1.09Å | 1.10Å | |
| O6 | H22 | sing | 0.97Å | 0.95Å | |
| N32 | H23 | sing | 0.97Å | 1.00Å | |
| N32 | H24 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O6 | C1 | C5 | 108.8° | 110.1° |
| O6 | C1 | C2 | 110.6° | 110.1° |
| O6 | C1 | H21 | 112.0° | 110.1° |
| C1 | O6 | H22 | 109.5° | 114.1° |
| O33 | S31 | O30 | 101.7° | 106.4° |
| O33 | S31 | O34 | 121.5° | 123.1° |
| O33 | S31 | N32 | 108.8° | 106.4° |
| S31 | O30 | C8 | 120.0° | 114.0° |
| O30 | S31 | O34 | 103.6° | 106.4° |
| O30 | S31 | N32 | 98.2° | 107.2° |
| O30 | C8 | C5 | 108.0° | 109.5° |
| O30 | C8 | H4 | 109.8° | 109.5° |
| O30 | C8 | H5 | 109.8° | 109.5° |
| C5 | C1 | C2 | 104.3° | 106.6° |
| C1 | C5 | C8 | 111.2° | 110.5° |
| C1 | C5 | C4 | 103.8° | 104.2° |
| C1 | C5 | H3 | 111.1° | 110.6° |
| C5 | C1 | H21 | 110.4° | 110.0° |
| C1 | C2 | O7 | 112.4° | 110.2° |
| C1 | C2 | C3 | 105.5° | 106.6° |
| C1 | C2 | H19 | 110.0° | 109.9° |
| C2 | C1 | H21 | 110.4° | 109.9° |
| O34 | S31 | N32 | 118.4° | 106.4° |
| S31 | N32 | H23 | 109.5° | 120.0° |
| S31 | N32 | H24 | 109.5° | 120.0° |
| C8 | C5 | C4 | 107.7° | 110.4° |
| C8 | C5 | H3 | 111.6° | 110.5° |
| C5 | C8 | H4 | 109.8° | 109.4° |
| C5 | C8 | H5 | 109.8° | 109.5° |
| C5 | C4 | C3 | 105.4° | 102.9° |
| C5 | C4 | H1 | 110.5° | 110.8° |
| C5 | C4 | H2 | 110.5° | 110.7° |
| C4 | C5 | H3 | 111.1° | 110.4° |
| O7 | C2 | C3 | 106.6° | 110.0° |
| O7 | C2 | H19 | 111.8° | 110.0° |
| C2 | O7 | H20 | 109.5° | 114.0° |
| C2 | C3 | C4 | 96.6° | 104.2° |
| C2 | C3 | N9 | 107.0° | 110.5° |
| C2 | C3 | H18 | 114.5° | 110.6° |
| C3 | C2 | H19 | 110.2° | 110.1° |
| C4 | C3 | N9 | 107.2° | 110.5° |
| C3 | C4 | H1 | 110.5° | 110.8° |
| C3 | C4 | H2 | 110.5° | 110.8° |
| C4 | C3 | H18 | 114.2° | 110.5° |
| C3 | N9 | C10 | 119.5° | 120.0° |
| C3 | N9 | H17 | 106.9° | 120.0° |
| N9 | C3 | H18 | 115.4° | 110.4° |
| C12 | N11 | C10 | 119.4° | 120.9° |
| N11 | C12 | N13 | 125.5° | 122.2° |
| N11 | C12 | H16 | 117.2° | 118.9° |
| N11 | C10 | N9 | 121.1° | 120.7° |
| N11 | C10 | C15 | 118.9° | 118.7° |
| C12 | N13 | C14 | 115.4° | 121.2° |
| N13 | C12 | H16 | 117.3° | 118.9° |
| N9 | C10 | C15 | 120.0° | 120.6° |
| C10 | N9 | H17 | 106.9° | 120.0° |
| C10 | C15 | C14 | 118.4° | 118.0° |
| C10 | C15 | C16 | 120.4° | 121.0° |
| N13 | C14 | C15 | 122.4° | 119.0° |
| N13 | C14 | H15 | 118.8° | 120.5° |
| C14 | C15 | C16 | 121.2° | 121.0° |
| C15 | C14 | H15 | 118.8° | 120.6° |
| C15 | C16 | O18 | 115.8° | 120.0° |
| C15 | C16 | C17 | 122.2° | 120.0° |
| O18 | C16 | C17 | 121.9° | 120.0° |
| C16 | C17 | C22 | 130.0° | 126.5° |
| C16 | C17 | N19 | 119.1° | 126.5° |
| C22 | C17 | N19 | 110.9° | 107.1° |
| C17 | C22 | C21 | 106.4° | 105.6° |
| C17 | C22 | H7 | 126.8° | 127.2° |
| C17 | N19 | N20 | 103.2° | 110.1° |
| C22 | C21 | N20 | 104.1° | 107.2° |
| C22 | C21 | H6 | 127.9° | 126.4° |
| C21 | C22 | H7 | 126.8° | 127.2° |
| N19 | N20 | C21 | 115.4° | 110.2° |
| N19 | N20 | C23 | 120.1° | 124.9° |
| C21 | N20 | C23 | 124.5° | 125.0° |
| N20 | C21 | H6 | 127.9° | 126.4° |
| N20 | C23 | C24 | 111.7° | 109.5° |
| N20 | C23 | H13 | 108.9° | 109.4° |
| N20 | C23 | H14 | 108.9° | 109.5° |
| C26 | C25 | C24 | 120.3° | 120.0° |
| C25 | C26 | C27 | 120.0° | 120.0° |
| C25 | C26 | H8 | 120.0° | 120.0° |
| C26 | C25 | H10 | 119.8° | 120.0° |
| C25 | C24 | C23 | 121.7° | 120.0° |
| C25 | C24 | C29 | 119.1° | 120.0° |
| C24 | C25 | H10 | 119.9° | 120.0° |
| C23 | C24 | C29 | 119.2° | 120.0° |
| C24 | C23 | H13 | 108.9° | 109.5° |
| C24 | C23 | H14 | 108.9° | 109.5° |
| C26 | C27 | C28 | 120.3° | 120.1° |
| C27 | C26 | H8 | 120.0° | 120.0° |
| C26 | C27 | H11 | 119.8° | 120.0° |
| C24 | C29 | C28 | 121.1° | 120.0° |
| C24 | C29 | H12 | 119.4° | 120.0° |
| C27 | C28 | C29 | 119.2° | 119.9° |
| C27 | C28 | H9 | 120.4° | 120.0° |
| C28 | C27 | H11 | 119.9° | 120.0° |
| C29 | C28 | H9 | 120.4° | 120.0° |
| C28 | C29 | H12 | 119.5° | 120.0° |
| H1 | C4 | H2 | 109.5° | 110.7° |
| H4 | C8 | H5 | 109.5° | 109.4° |
| H13 | C23 | H14 | 109.4° | 109.4° |
| H23 | N32 | H24 | 109.5° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | C1 | C5 | C2 | 118.0° | 119.4° |
| O6 | C1 | C5 | H21 | 123.3° | 121.5° |
| O6 | C1 | C2 | H21 | 124.5° | 121.4° |
| O6 | C1 | C5 | C8 | 126.5° | 98.5° |
| O6 | C1 | C5 | C4 | 117.9° | 142.9° |
| O6 | C1 | C2 | O7 | 29.0° | 0.0° |
| O6 | C1 | C2 | C3 | 86.7° | 119.3° |
| O6 | C1 | C5 | H3 | 1.6° | 24.2° |
| O6 | C1 | C2 | H19 | 154.4° | 121.4° |
| O33 | S31 | O30 | O34 | 126.8° | 132.9° |
| O33 | S31 | O30 | N32 | 111.2° | 113.6° |
| O33 | S31 | O30 | C8 | 171.3° | 171.5° |
| O33 | S31 | O34 | N32 | 139.6° | 122.9° |
| O33 | S31 | N32 | H23 | 180.0° | 113.6° |
| O33 | S31 | N32 | H24 | 60.0° | 66.5° |
| O30 | S31 | O34 | N32 | 107.3° | 114.1° |
| S31 | O30 | C8 | C5 | 147.6° | 180.0° |
| S31 | O30 | C8 | H4 | 92.7° | 60.0° |
| S31 | O30 | C8 | H5 | 27.8° | 59.9° |
| O30 | S31 | N32 | H23 | 74.7° | 0.0° |
| O30 | S31 | N32 | H24 | 45.4° | 180.0° |
| O30 | C8 | C5 | C1 | 67.7° | 178.8° |
| C8 | O30 | S31 | O34 | 61.8° | 38.6° |
| C8 | O30 | S31 | N32 | 60.1° | 75.0° |
| O30 | C8 | C5 | H4 | 119.8° | 120.0° |
| O30 | C8 | C5 | H5 | 119.8° | 120.1° |
| O30 | C8 | C5 | C4 | 179.2° | 66.5° |
| O30 | C8 | C5 | H3 | 57.0° | 56.0° |
| O30 | C8 | H4 | H5 | 120.7° | 120.0° |
| C5 | C1 | C2 | H21 | 118.6° | 119.2° |
| C1 | C5 | C8 | C4 | 113.1° | 114.8° |
| C1 | C5 | C8 | H3 | 124.7° | 122.7° |
| C1 | C5 | C4 | H3 | 119.4° | 118.8° |
| C5 | C1 | C2 | O7 | 145.9° | 119.4° |
| C5 | C1 | C2 | C3 | 30.1° | 0.0° |
| C1 | C5 | C4 | C3 | 29.4° | 37.8° |
| C1 | C5 | C4 | H1 | 148.8° | 156.3° |
| C1 | C5 | C4 | H2 | 89.9° | 80.6° |
| C1 | C5 | C8 | H4 | 172.6° | 58.7° |
| C1 | C5 | C8 | H5 | 52.1° | 61.2° |
| C5 | C1 | C2 | H19 | 88.8° | 119.2° |
| C5 | C1 | O6 | H22 | 180.0° | 180.0° |
| C2 | C1 | C5 | C8 | 115.4° | 142.1° |
| C2 | C1 | C5 | C4 | 0.2° | 23.5° |
| C1 | C2 | O7 | C3 | 115.1° | 117.2° |
| C1 | C2 | O7 | H19 | 124.4° | 121.3° |
| C1 | C2 | C3 | H19 | 118.8° | 119.2° |
| C1 | C2 | C3 | C4 | 46.4° | 23.5° |
| C1 | C2 | C3 | N9 | 156.7° | 142.2° |
| C2 | C1 | C5 | H3 | 119.6° | 95.2° |
| C1 | C2 | C3 | H18 | 74.0° | 95.2° |
| C1 | C2 | O7 | H20 | 180.0° | 62.8° |
| C2 | C1 | O6 | H22 | 66.0° | 62.8° |
| O34 | S31 | N32 | H23 | 35.7° | 113.5° |
| O34 | S31 | N32 | H24 | 155.7° | 66.5° |
| S31 | N32 | H23 | H24 | 120.0° | 180.0° |
| C8 | C5 | C4 | H3 | 122.5° | 122.5° |
| C8 | C5 | C4 | C3 | 147.4° | 156.6° |
| C8 | C5 | C4 | H1 | 93.2° | 85.0° |
| C8 | C5 | C4 | H2 | 28.1° | 38.1° |
| C5 | C8 | H4 | H5 | 120.7° | 120.0° |
| C8 | C5 | C1 | H21 | 3.3° | 23.0° |
| C5 | C4 | C3 | C2 | 46.3° | 37.8° |
| C5 | C4 | C3 | H1 | 119.4° | 118.4° |
| C5 | C4 | C3 | H2 | 119.3° | 118.4° |
| C5 | C4 | C3 | N9 | 156.4° | 156.5° |
| C5 | C4 | H1 | H2 | 121.9° | 123.2° |
| C4 | C5 | C8 | H4 | 59.4° | 173.5° |
| C4 | C5 | C8 | H5 | 61.1° | 53.6° |
| C5 | C4 | C3 | H18 | 74.4° | 81.0° |
| C4 | C5 | C1 | H21 | 118.8° | 95.7° |
| O7 | C2 | C3 | H19 | 121.5° | 121.4° |
| O7 | C2 | C3 | C4 | 166.1° | 142.9° |
| O7 | C2 | C3 | N9 | 83.6° | 98.4° |
| O7 | C2 | C3 | H18 | 45.7° | 24.2° |
| O7 | C2 | C1 | H21 | 95.5° | 121.4° |
| C2 | C3 | C4 | N9 | 110.1° | 118.7° |
| C2 | C3 | C4 | H18 | 120.7° | 118.8° |
| C2 | C3 | N9 | H18 | 128.7° | 122.7° |
| C2 | C3 | N9 | C10 | 148.5° | 90.3° |
| C2 | C3 | C4 | H1 | 165.7° | 156.3° |
| C2 | C3 | C4 | H2 | 73.0° | 80.5° |
| C2 | C3 | N9 | H17 | 90.0° | 89.8° |
| C3 | C2 | O7 | H20 | 64.9° | 180.0° |
| C3 | C2 | C1 | H21 | 148.7° | 119.2° |
| C4 | C3 | N9 | H18 | 128.5° | 122.6° |
| C4 | C3 | N9 | C10 | 108.7° | 155.0° |
| C3 | C4 | H1 | H2 | 121.9° | 123.3° |
| C3 | C4 | C5 | H3 | 90.0° | 80.9° |
| C4 | C3 | N9 | H17 | 12.7° | 25.0° |
| C4 | C3 | C2 | H19 | 72.3° | 95.7° |
| C3 | N9 | C10 | N11 | 2.9° | 5.6° |
| C3 | N9 | C10 | H17 | 121.4° | 180.0° |
| C3 | N9 | C10 | C15 | 176.7° | 174.7° |
| N9 | C3 | C4 | H1 | 84.2° | 85.1° |
| N9 | C3 | C4 | H2 | 37.1° | 38.1° |
| N9 | C3 | C2 | H19 | 38.0° | 23.0° |
| N11 | C12 | N13 | H16 | 180.0° | 179.9° |
| C12 | N11 | C10 | N9 | 178.8° | 179.7° |
| C12 | N11 | C10 | C15 | 0.8° | 0.0° |
| N11 | C12 | N13 | C14 | 0.4° | 0.0° |
| C10 | N11 | C12 | N13 | 0.6° | 0.0° |
| N11 | C10 | N9 | C15 | 179.6° | 179.7° |
| N11 | C10 | C15 | C14 | 0.8° | 0.0° |
| N11 | C10 | C15 | C16 | 178.6° | 180.0° |
| C10 | N11 | C12 | H16 | 179.4° | 179.9° |
| N11 | C10 | N9 | H17 | 124.3° | 174.5° |
| C12 | N13 | C14 | C15 | 0.4° | 0.0° |
| C12 | N13 | C14 | H15 | 179.6° | 180.0° |
| N9 | C10 | C15 | C14 | 178.8° | 179.7° |
| N9 | C10 | C15 | C16 | 1.0° | 0.3° |
| C10 | N9 | C3 | H18 | 19.8° | 32.4° |
| C10 | C15 | C14 | N13 | 0.6° | 0.0° |
| C10 | C15 | C14 | C16 | 177.8° | 180.0° |
| C10 | C15 | C16 | O18 | 20.9° | 5.9° |
| C10 | C15 | C16 | C17 | 160.1° | 174.1° |
| C10 | C15 | C14 | H15 | 179.4° | 179.9° |
| C15 | C10 | N9 | H17 | 55.3° | 5.2° |
| N13 | C14 | C15 | H15 | 180.0° | 179.9° |
| N13 | C14 | C15 | C16 | 178.5° | 180.0° |
| C14 | N13 | C12 | H16 | 179.6° | 180.0° |
| C14 | C15 | C16 | O18 | 156.9° | 174.1° |
| C14 | C15 | C16 | C17 | 22.1° | 5.9° |
| C15 | C16 | O18 | C17 | 179.0° | 180.0° |
| C15 | C16 | C17 | C22 | 24.1° | 180.0° |
| C15 | C16 | C17 | N19 | 156.6° | 0.4° |
| C16 | C15 | C14 | H15 | 1.5° | 0.1° |
| O18 | C16 | C17 | C22 | 157.0° | 0.0° |
| O18 | C16 | C17 | N19 | 22.3° | 179.6° |
| C16 | C17 | C22 | N19 | 179.3° | 179.7° |
| C16 | C17 | C22 | C21 | 180.0° | 179.7° |
| C16 | C17 | N19 | N20 | 179.9° | 179.7° |
| C16 | C17 | C22 | H7 | 0.0° | 0.3° |
| C17 | C22 | C21 | H7 | 180.0° | 180.0° |
| C22 | C17 | N19 | N20 | 0.6° | 0.1° |
| C17 | C22 | C21 | N20 | 0.4° | 0.0° |
| C17 | C22 | C21 | H6 | 179.6° | 180.0° |
| N19 | C17 | C22 | C21 | 0.7° | 0.1° |
| C17 | N19 | N20 | C21 | 0.4° | 0.1° |
| C17 | N19 | N20 | C23 | 179.6° | 180.0° |
| N19 | C17 | C22 | H7 | 179.3° | 180.0° |
| C22 | C21 | N20 | N19 | 0.0° | 0.1° |
| C22 | C21 | N20 | H6 | 180.0° | 180.0° |
| C22 | C21 | N20 | C23 | 180.0° | 180.0° |
| N19 | N20 | C21 | C23 | 180.0° | 179.9° |
| N19 | N20 | C23 | C24 | 68.1° | 54.9° |
| N19 | N20 | C21 | H6 | 180.0° | 180.0° |
| N19 | N20 | C23 | H13 | 171.6° | 175.0° |
| N19 | N20 | C23 | H14 | 52.3° | 65.1° |
| C21 | N20 | C23 | C24 | 111.9° | 125.0° |
| N20 | C21 | C22 | H7 | 179.6° | 180.0° |
| C21 | N20 | C23 | H13 | 8.4° | 4.9° |
| C21 | N20 | C23 | H14 | 127.7° | 115.0° |
| N20 | C23 | C24 | C25 | 78.7° | 89.7° |
| N20 | C23 | C24 | H13 | 120.3° | 120.0° |
| N20 | C23 | C24 | H14 | 120.4° | 120.0° |
| N20 | C23 | C24 | C29 | 102.7° | 90.0° |
| C23 | N20 | C21 | H6 | 0.0° | 0.1° |
| N20 | C23 | H13 | H14 | 119.0° | 119.9° |
| C26 | C25 | C24 | H10 | 180.0° | 180.0° |
| C26 | C25 | C24 | C23 | 178.9° | 179.7° |
| C25 | C26 | C27 | H8 | 180.0° | 179.9° |
| C26 | C25 | C24 | C29 | 0.3° | 0.0° |
| C25 | C26 | C27 | C28 | 0.2° | 0.1° |
| C25 | C26 | C27 | H11 | 179.8° | 179.9° |
| C25 | C24 | C23 | C29 | 178.6° | 179.7° |
| C24 | C25 | C26 | C27 | 0.3° | 0.1° |
| C25 | C24 | C29 | C28 | 1.0° | 0.0° |
| C24 | C25 | C26 | H8 | 179.7° | 180.0° |
| C25 | C24 | C29 | H12 | 179.0° | 180.0° |
| C25 | C24 | C23 | H13 | 41.7° | 30.3° |
| C25 | C24 | C23 | H14 | 161.0° | 150.3° |
| C23 | C24 | C29 | C28 | 179.6° | 179.7° |
| C23 | C24 | C25 | H10 | 1.0° | 0.3° |
| C23 | C24 | C29 | H12 | 0.3° | 0.3° |
| C24 | C23 | H13 | H14 | 119.0° | 120.0° |
| C26 | C27 | C28 | H11 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 0.4° | 0.1° |
| C26 | C27 | C28 | H9 | 179.6° | 180.0° |
| C27 | C26 | C25 | H10 | 179.7° | 180.0° |
| C24 | C29 | C28 | C27 | 1.0° | 0.0° |
| C24 | C29 | C28 | H12 | 180.0° | 180.0° |
| C24 | C29 | C28 | H9 | 179.0° | 179.9° |
| C29 | C24 | C25 | H10 | 179.7° | 180.0° |
| C29 | C24 | C23 | H13 | 137.0° | 150.0° |
| C29 | C24 | C23 | H14 | 17.6° | 30.0° |
| C27 | C28 | C29 | H9 | 180.0° | 179.9° |
| C28 | C27 | C26 | H8 | 179.8° | 180.0° |
| C27 | C28 | C29 | H12 | 178.9° | 180.0° |
| C29 | C28 | C27 | H11 | 179.5° | 179.9° |
| H1 | C4 | C5 | H3 | 29.3° | 37.5° |
| H1 | C4 | C3 | H18 | 45.0° | 37.5° |
| H2 | C4 | C5 | H3 | 150.6° | 160.6° |
| H2 | C4 | C3 | H18 | 166.3° | 160.7° |
| H3 | C5 | C8 | H4 | 62.8° | 64.0° |
| H3 | C5 | C8 | H5 | 176.7° | 176.1° |
| H3 | C5 | C1 | H21 | 121.7° | 145.7° |
| H6 | C21 | C22 | H7 | 0.4° | 0.0° |
| H8 | C26 | C25 | H10 | 0.3° | 0.0° |
| H8 | C26 | C27 | H11 | 0.2° | 0.0° |
| H9 | C28 | C27 | H11 | 0.4° | 0.0° |
| H9 | C28 | C29 | H12 | 1.0° | 0.1° |
| H17 | N9 | C3 | H18 | 141.2° | 147.5° |
| H18 | C3 | C2 | H19 | 167.2° | 145.6° |
| H19 | C2 | O7 | H20 | 55.7° | 58.6° |
| H19 | C2 | C1 | H21 | 29.8° | 0.0° |
| H21 | C1 | O6 | H22 | 57.7° | 58.5° |
