3QB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | S1 | sing | 1.81Å | 1.76Å | |
| S1 | C5 | sing | 1.81Å | 1.80Å | |
| O8 | C8 | sing | 1.43Å | 1.26Å | |
| O4 | C1 | sing | 1.43Å | 1.39Å | |
| C5 | O5 | sing | 1.43Å | 1.42Å | |
| C5 | C1 | sing | 1.53Å | 1.50Å | |
| O5 | C4 | sing | 1.43Å | 1.51Å | |
| C1 | C2 | sing | 1.53Å | 1.48Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C8 | C7 | sing | 1.53Å | 1.54Å | |
| C4 | C3 | sing | 1.53Å | 1.48Å | |
| C4 | C7 | sing | 1.53Å | 1.48Å | |
| C2 | C3 | sing | 1.53Å | 1.47Å | |
| C2 | O6 | sing | 1.43Å | 1.44Å | |
| C3 | O7 | sing | 1.43Å | 1.42Å | |
| C7 | N1 | sing | 1.46Å | 1.43Å | |
| N1 | C10 | sing | 1.35Å | 1.47Å | |
| C10 | C11 | sing | 1.51Å | 1.50Å | |
| C10 | O9 | doub | 1.21Å | 1.25Å | |
| C11 | C12 | sing | 1.54Å | 1.49Å | |
| C11 | N2 | sing | 1.48Å | 1.44Å | |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| C15 | N2 | sing | 1.47Å | 1.47Å | |
| C12 | C13 | sing | 1.55Å | 1.47Å | |
| N2 | C14 | sing | 1.49Å | 1.44Å | |
| C16 | C13 | sing | 1.53Å | 1.48Å | |
| C16 | C17 | sing | 1.53Å | 1.50Å | |
| C14 | C13 | sing | 1.55Å | 1.50Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| N1 | H17 | sing | 0.97Å | 1.00Å | |
| C3 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C17 | H23 | sing | 1.09Å | 1.10Å | |
| C17 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| C15 | H27 | sing | 1.09Å | 1.10Å | |
| C15 | H28 | sing | 1.09Å | 1.10Å | |
| C15 | H29 | sing | 1.09Å | 1.10Å | |
| O8 | H30 | sing | 0.97Å | 0.95Å | |
| O7 | H31 | sing | 0.97Å | 0.95Å | |
| C2 | H32 | sing | 1.09Å | 1.10Å | |
| O6 | H33 | sing | 0.97Å | 0.95Å | |
| C1 | H34 | sing | 1.09Å | 1.10Å | |
| O4 | H35 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | S1 | C5 | 109.2° | 103.0° |
| S1 | C6 | H5 | 109.5° | 109.5° |
| S1 | C6 | H6 | 109.5° | 109.4° |
| S1 | C6 | H7 | 109.5° | 109.5° |
| S1 | C5 | O5 | 109.5° | 109.5° |
| S1 | C5 | C1 | 109.5° | 109.5° |
| S1 | C5 | H4 | 106.4° | 109.5° |
| O8 | C8 | C9 | 110.2° | 109.5° |
| O8 | C8 | C7 | 109.5° | 109.4° |
| O8 | C8 | H10 | 111.5° | 109.4° |
| C8 | O8 | H30 | 109.5° | 114.0° |
| O4 | C1 | C5 | 109.0° | 109.5° |
| O4 | C1 | C2 | 110.3° | 109.5° |
| O4 | C1 | H34 | 109.5° | 109.6° |
| C1 | O4 | H35 | 109.5° | 114.0° |
| O5 | C5 | C1 | 110.6° | 109.4° |
| C5 | O5 | C4 | 112.9° | 114.1° |
| O5 | C5 | H4 | 111.0° | 109.5° |
| C5 | C1 | C2 | 111.9° | 109.2° |
| C1 | C5 | H4 | 109.8° | 109.4° |
| C5 | C1 | H34 | 107.9° | 109.6° |
| O5 | C4 | C3 | 111.4° | 109.4° |
| O5 | C4 | C7 | 111.8° | 109.5° |
| O5 | C4 | H1 | 107.0° | 109.5° |
| C1 | C2 | C3 | 113.4° | 109.0° |
| C1 | C2 | O6 | 110.0° | 109.6° |
| C1 | C2 | H32 | 107.7° | 109.6° |
| C2 | C1 | H34 | 108.2° | 109.5° |
| C9 | C8 | C7 | 110.6° | 109.5° |
| C9 | C8 | H10 | 107.6° | 109.5° |
| C8 | C9 | H11 | 109.5° | 109.4° |
| C8 | C9 | H12 | 109.4° | 109.5° |
| C8 | C9 | H13 | 109.5° | 109.5° |
| C8 | C7 | C4 | 112.3° | 109.5° |
| C8 | C7 | N1 | 103.2° | 109.5° |
| C8 | C7 | H9 | 109.3° | 109.5° |
| C7 | C8 | H10 | 107.4° | 109.5° |
| C3 | C4 | C7 | 111.7° | 109.5° |
| C4 | C3 | C2 | 113.9° | 109.1° |
| C4 | C3 | O7 | 108.2° | 109.5° |
| C3 | C4 | H1 | 107.3° | 109.4° |
| C4 | C3 | H19 | 108.2° | 109.5° |
| C4 | C7 | N1 | 110.8° | 109.5° |
| C7 | C4 | H1 | 107.3° | 109.5° |
| C4 | C7 | H9 | 110.1° | 109.4° |
| C3 | C2 | O6 | 109.4° | 109.5° |
| C2 | C3 | O7 | 108.8° | 109.5° |
| C2 | C3 | H19 | 108.5° | 109.6° |
| C3 | C2 | H32 | 107.9° | 109.5° |
| O6 | C2 | H32 | 108.2° | 109.6° |
| C2 | O6 | H33 | 109.5° | 114.0° |
| O7 | C3 | H19 | 109.2° | 109.6° |
| C3 | O7 | H31 | 109.5° | 113.9° |
| C7 | N1 | C10 | 122.1° | 120.0° |
| N1 | C7 | H9 | 110.9° | 109.5° |
| C7 | N1 | H17 | 118.9° | 120.0° |
| N1 | C10 | C11 | 117.1° | 120.0° |
| N1 | C10 | O9 | 119.4° | 120.0° |
| C10 | N1 | H17 | 118.9° | 120.0° |
| C11 | C10 | O9 | 121.3° | 120.0° |
| C10 | C11 | C12 | 112.1° | 109.9° |
| C10 | C11 | N2 | 111.6° | 109.9° |
| C10 | C11 | H8 | 108.7° | 110.0° |
| C12 | C11 | N2 | 106.0° | 107.0° |
| C11 | C12 | C13 | 105.1° | 105.2° |
| C12 | C11 | H8 | 108.8° | 109.9° |
| C11 | C12 | H14 | 110.6° | 110.3° |
| C11 | C12 | H15 | 110.6° | 110.3° |
| C11 | N2 | C15 | 137.7° | 111.0° |
| C11 | N2 | C14 | 102.7° | 105.8° |
| N2 | C11 | H8 | 109.5° | 109.9° |
| C18 | C17 | C16 | 118.2° | 109.5° |
| C17 | C18 | H20 | 109.5° | 109.4° |
| C17 | C18 | H21 | 109.5° | 109.5° |
| C17 | C18 | H22 | 109.5° | 109.4° |
| C18 | C17 | H23 | 107.2° | 109.5° |
| C18 | C17 | H24 | 107.3° | 109.5° |
| C15 | N2 | C14 | 104.6° | 111.0° |
| N2 | C15 | H27 | 109.5° | 109.4° |
| N2 | C15 | H28 | 109.5° | 109.5° |
| N2 | C15 | H29 | 109.5° | 109.5° |
| C12 | C13 | C16 | 108.9° | 110.8° |
| C12 | C13 | C14 | 104.9° | 102.9° |
| C13 | C12 | H14 | 110.5° | 110.3° |
| C13 | C12 | H15 | 110.6° | 110.3° |
| C12 | C13 | H16 | 110.7° | 110.7° |
| N2 | C14 | C13 | 105.1° | 103.2° |
| N2 | C14 | H2 | 110.5° | 110.7° |
| N2 | C14 | H3 | 110.6° | 110.8° |
| C13 | C16 | C17 | 116.5° | 109.5° |
| C16 | C13 | C14 | 111.0° | 110.7° |
| C16 | C13 | H16 | 110.7° | 110.8° |
| C13 | C16 | H25 | 107.7° | 109.5° |
| C13 | C16 | H26 | 107.7° | 109.5° |
| C16 | C17 | H23 | 107.2° | 109.5° |
| C16 | C17 | H24 | 107.2° | 109.5° |
| C17 | C16 | H25 | 107.7° | 109.5° |
| C17 | C16 | H26 | 107.7° | 109.5° |
| C13 | C14 | H2 | 110.5° | 110.6° |
| C13 | C14 | H3 | 110.5° | 110.7° |
| C14 | C13 | H16 | 110.4° | 110.7° |
| H2 | C14 | H3 | 109.5° | 110.6° |
| H5 | C6 | H6 | 109.4° | 109.5° |
| H5 | C6 | H7 | 109.5° | 109.5° |
| H6 | C6 | H7 | 109.4° | 109.5° |
| H11 | C9 | H12 | 109.5° | 109.5° |
| H11 | C9 | H13 | 109.5° | 109.5° |
| H12 | C9 | H13 | 109.5° | 109.5° |
| H14 | C12 | H15 | 109.4° | 110.3° |
| H20 | C18 | H21 | 109.5° | 109.4° |
| H20 | C18 | H22 | 109.5° | 109.5° |
| H21 | C18 | H22 | 109.5° | 109.5° |
| H23 | C17 | H24 | 109.5° | 109.5° |
| H25 | C16 | H26 | 109.5° | 109.4° |
| H27 | C15 | H28 | 109.5° | 109.5° |
| H27 | C15 | H29 | 109.4° | 109.5° |
| H28 | C15 | H29 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | S1 | C5 | O5 | 67.4° | 70.0° |
| C6 | S1 | C5 | C1 | 171.2° | 170.0° |
| C6 | S1 | C5 | H4 | 52.6° | 50.1° |
| S1 | C6 | H5 | H6 | 120.0° | 119.9° |
| S1 | C6 | H5 | H7 | 120.0° | 120.0° |
| S1 | C6 | H6 | H7 | 120.0° | 120.0° |
| S1 | C5 | C1 | O4 | 57.4° | 57.5° |
| S1 | C5 | O5 | C1 | 120.7° | 120.0° |
| S1 | C5 | O5 | H4 | 117.2° | 120.1° |
| S1 | C5 | C1 | H4 | 116.4° | 120.0° |
| S1 | C5 | O5 | C4 | 63.2° | 58.8° |
| S1 | C5 | C1 | C2 | 64.9° | 62.4° |
| C5 | S1 | C6 | H5 | 180.0° | 60.0° |
| C5 | S1 | C6 | H6 | 60.0° | 60.0° |
| C5 | S1 | C6 | H7 | 60.0° | 180.0° |
| S1 | C5 | C1 | H34 | 176.2° | 177.7° |
| O8 | C8 | C9 | C7 | 121.2° | 120.0° |
| O8 | C8 | C9 | H10 | 121.7° | 120.0° |
| O8 | C8 | C7 | H10 | 121.3° | 119.9° |
| O8 | C8 | C7 | C4 | 39.5° | 174.2° |
| O8 | C8 | C7 | N1 | 79.9° | 65.8° |
| O8 | C8 | C7 | H9 | 162.1° | 54.2° |
| O8 | C8 | C9 | H11 | 180.0° | 60.0° |
| O8 | C8 | C9 | H12 | 60.0° | 60.0° |
| O8 | C8 | C9 | H13 | 60.0° | 180.0° |
| O4 | C1 | C5 | O5 | 178.1° | 177.5° |
| O4 | C1 | C5 | C2 | 122.3° | 119.9° |
| O4 | C1 | C5 | H34 | 118.8° | 120.2° |
| O4 | C1 | C2 | H34 | 119.7° | 120.1° |
| O4 | C1 | C2 | C3 | 171.9° | 176.9° |
| O4 | C1 | C2 | O6 | 65.2° | 63.3° |
| O4 | C1 | C5 | H4 | 59.0° | 62.5° |
| O4 | C1 | C2 | H32 | 52.6° | 57.0° |
| O5 | C5 | C1 | H4 | 122.9° | 120.0° |
| O5 | C5 | C1 | C2 | 55.8° | 57.6° |
| C5 | O5 | C4 | C3 | 53.6° | 61.2° |
| C5 | O5 | C4 | C7 | 179.4° | 178.8° |
| C5 | O5 | C4 | H1 | 63.4° | 58.8° |
| O5 | C5 | C1 | H34 | 63.1° | 62.3° |
| C1 | C5 | O5 | C4 | 57.5° | 61.2° |
| C5 | C1 | C2 | H34 | 118.7° | 120.0° |
| C5 | C1 | C2 | C3 | 50.4° | 57.0° |
| C5 | C1 | C2 | O6 | 173.3° | 176.8° |
| C5 | C1 | C2 | H32 | 68.9° | 62.9° |
| C5 | C1 | O4 | H35 | 180.0° | 60.0° |
| O5 | C4 | C7 | C8 | 72.1° | 58.8° |
| O5 | C4 | C3 | C7 | 125.8° | 120.0° |
| O5 | C4 | C3 | H1 | 116.8° | 120.0° |
| O5 | C4 | C7 | H1 | 117.1° | 120.1° |
| O5 | C4 | C3 | C2 | 47.2° | 57.6° |
| O5 | C4 | C3 | O7 | 73.9° | 62.3° |
| O5 | C4 | C7 | N1 | 173.1° | 178.8° |
| C4 | O5 | C5 | H4 | 179.6° | 178.9° |
| O5 | C4 | C7 | H9 | 50.0° | 61.2° |
| O5 | C4 | C3 | H19 | 167.9° | 177.6° |
| C1 | C2 | C3 | C4 | 47.1° | 56.9° |
| C1 | C2 | C3 | O6 | 123.2° | 119.9° |
| C1 | C2 | C3 | H32 | 119.2° | 119.9° |
| C1 | C2 | O6 | H32 | 117.5° | 120.3° |
| C1 | C2 | C3 | O7 | 73.7° | 62.9° |
| C2 | C1 | C5 | H4 | 178.7° | 177.6° |
| C1 | C2 | C3 | H19 | 167.7° | 176.9° |
| C1 | C2 | O6 | H33 | 180.0° | 60.4° |
| C2 | C1 | O4 | H35 | 56.8° | 179.7° |
| C9 | C8 | C7 | H10 | 117.1° | 120.0° |
| C9 | C8 | C7 | C4 | 82.1° | 65.8° |
| C9 | C8 | C7 | N1 | 158.5° | 54.2° |
| C9 | C8 | C7 | H9 | 40.5° | 174.2° |
| C8 | C9 | H11 | H12 | 120.0° | 120.0° |
| C8 | C9 | H11 | H13 | 120.0° | 120.0° |
| C8 | C9 | H12 | H13 | 120.0° | 120.0° |
| C9 | C8 | O8 | H30 | 180.0° | 174.2° |
| C8 | C7 | C4 | C3 | 162.3° | 178.8° |
| C8 | C7 | C4 | N1 | 114.8° | 120.0° |
| C8 | C7 | C4 | H9 | 122.1° | 120.0° |
| C8 | C7 | N1 | H9 | 116.9° | 120.0° |
| C8 | C7 | N1 | C10 | 123.1° | 85.0° |
| C8 | C7 | C4 | H1 | 45.0° | 61.3° |
| C7 | C8 | C9 | H11 | 58.7° | 60.0° |
| C7 | C8 | C9 | H12 | 61.3° | 180.0° |
| C7 | C8 | C9 | H13 | 178.8° | 60.0° |
| C8 | C7 | N1 | H17 | 56.9° | 95.0° |
| C7 | C8 | O8 | H30 | 58.1° | 65.8° |
| C3 | C4 | C7 | H1 | 117.3° | 119.9° |
| C4 | C3 | C2 | O7 | 120.8° | 119.8° |
| C4 | C3 | C2 | H19 | 120.6° | 119.9° |
| C4 | C3 | C2 | O6 | 170.3° | 176.8° |
| C4 | C3 | O7 | H19 | 117.6° | 120.1° |
| C3 | C4 | C7 | N1 | 47.5° | 61.2° |
| C3 | C4 | C7 | H9 | 75.6° | 58.8° |
| C4 | C3 | O7 | H31 | 71.6° | 180.0° |
| C4 | C3 | C2 | H32 | 72.1° | 63.0° |
| C7 | C4 | C3 | C2 | 173.0° | 177.6° |
| C7 | C4 | C3 | O7 | 51.9° | 57.8° |
| C4 | C7 | N1 | H9 | 122.7° | 120.0° |
| C4 | C7 | N1 | C10 | 116.5° | 155.0° |
| C4 | C7 | C8 | H10 | 160.8° | 54.2° |
| C4 | C7 | N1 | H17 | 63.5° | 25.0° |
| C7 | C4 | C3 | H19 | 66.3° | 62.4° |
| C3 | C2 | O6 | H32 | 117.3° | 120.2° |
| C2 | C3 | O7 | H19 | 118.2° | 120.3° |
| C2 | C3 | C4 | H1 | 69.7° | 62.4° |
| C2 | C3 | O7 | H31 | 164.2° | 60.4° |
| C3 | C2 | O6 | H33 | 54.8° | 180.0° |
| C3 | C2 | C1 | H34 | 68.3° | 63.0° |
| O6 | C2 | C3 | O7 | 49.5° | 57.0° |
| O6 | C2 | C3 | H19 | 69.1° | 63.2° |
| O6 | C2 | C1 | H34 | 54.5° | 56.9° |
| O7 | C3 | C4 | H1 | 169.2° | 177.7° |
| O7 | C3 | C2 | H32 | 167.1° | 177.2° |
| C7 | N1 | C10 | H17 | 180.0° | 180.0° |
| C7 | N1 | C10 | C11 | 169.1° | 180.0° |
| C7 | N1 | C10 | O9 | 27.6° | 0.0° |
| N1 | C7 | C4 | H1 | 69.8° | 58.7° |
| N1 | C7 | C8 | H10 | 41.4° | 174.3° |
| N1 | C10 | C11 | O9 | 162.9° | 180.0° |
| N1 | C10 | C11 | C12 | 113.9° | 80.0° |
| N1 | C10 | C11 | N2 | 127.3° | 162.4° |
| N1 | C10 | C11 | H8 | 6.4° | 41.2° |
| C10 | N1 | C7 | H9 | 6.2° | 35.0° |
| C10 | C11 | C12 | N2 | 122.1° | 119.4° |
| C10 | C11 | C12 | H8 | 120.2° | 121.3° |
| C10 | C11 | N2 | H8 | 120.4° | 121.3° |
| C10 | C11 | N2 | C15 | 70.7° | 94.8° |
| C10 | C11 | C12 | C13 | 143.3° | 120.6° |
| C10 | C11 | N2 | C14 | 160.1° | 144.7° |
| C10 | C11 | C12 | H14 | 24.0° | 1.6° |
| C10 | C11 | C12 | H15 | 97.4° | 120.5° |
| C11 | C10 | N1 | H17 | 10.9° | 0.0° |
| O9 | C10 | C11 | C12 | 83.2° | 100.0° |
| O9 | C10 | C11 | N2 | 35.6° | 17.6° |
| O9 | C10 | C11 | H8 | 156.5° | 138.8° |
| O9 | C10 | N1 | H17 | 152.4° | 180.0° |
| C12 | C11 | N2 | H8 | 117.2° | 119.4° |
| C12 | C11 | N2 | C15 | 167.0° | 145.8° |
| C11 | C12 | C13 | H14 | 119.3° | 118.9° |
| C11 | C12 | C13 | H15 | 119.3° | 118.9° |
| C12 | C11 | N2 | C14 | 37.7° | 25.3° |
| C11 | C12 | C13 | C16 | 122.1° | 140.3° |
| C11 | C12 | C13 | C14 | 3.2° | 22.0° |
| C11 | C12 | H14 | H15 | 122.0° | 122.1° |
| C11 | C12 | C13 | H16 | 116.0° | 96.4° |
| C11 | N2 | C15 | C14 | 128.7° | 117.4° |
| N2 | C11 | C12 | C13 | 21.2° | 1.2° |
| C11 | N2 | C14 | C13 | 39.6° | 39.2° |
| C11 | N2 | C14 | H2 | 79.7° | 157.6° |
| C11 | N2 | C14 | H3 | 158.9° | 79.3° |
| N2 | C11 | C12 | H14 | 98.1° | 117.7° |
| N2 | C11 | C12 | H15 | 140.5° | 120.1° |
| C11 | N2 | C15 | H27 | 180.0° | 60.0° |
| C11 | N2 | C15 | H28 | 60.0° | 180.0° |
| C11 | N2 | C15 | H29 | 60.0° | 60.0° |
| C18 | C17 | C16 | C13 | 110.9° | 180.0° |
| C18 | C17 | C16 | H23 | 121.2° | 120.0° |
| C18 | C17 | C16 | H24 | 121.3° | 120.0° |
| C17 | C18 | H20 | H21 | 120.0° | 120.0° |
| C17 | C18 | H20 | H22 | 120.0° | 120.0° |
| C17 | C18 | H21 | H22 | 120.0° | 120.0° |
| C18 | C17 | H23 | H24 | 116.1° | 120.0° |
| C18 | C17 | C16 | H25 | 10.1° | 60.0° |
| C18 | C17 | C16 | H26 | 128.1° | 60.0° |
| C15 | N2 | C14 | C13 | 173.0° | 159.7° |
| C15 | N2 | C14 | H2 | 67.8° | 81.9° |
| C15 | N2 | C14 | H3 | 53.6° | 41.3° |
| C15 | N2 | C11 | H8 | 49.7° | 26.5° |
| N2 | C15 | H27 | H28 | 120.0° | 120.0° |
| N2 | C15 | H27 | H29 | 120.0° | 120.0° |
| N2 | C15 | H28 | H29 | 120.0° | 120.0° |
| C12 | C13 | C14 | N2 | 26.4° | 37.4° |
| C12 | C13 | C16 | C14 | 115.0° | 113.5° |
| C12 | C13 | C16 | H16 | 122.0° | 123.2° |
| C12 | C13 | C16 | C17 | 69.9° | 179.9° |
| C12 | C13 | C14 | H16 | 119.4° | 118.3° |
| C12 | C13 | C14 | H2 | 92.9° | 155.8° |
| C12 | C13 | C14 | H3 | 145.8° | 81.2° |
| C13 | C12 | C11 | H8 | 96.5° | 118.1° |
| C13 | C12 | H14 | H15 | 122.0° | 122.1° |
| C12 | C13 | C16 | H25 | 51.1° | 60.0° |
| C12 | C13 | C16 | H26 | 169.1° | 59.9° |
| N2 | C14 | C13 | C16 | 143.9° | 155.8° |
| N2 | C14 | C13 | H2 | 119.3° | 118.4° |
| N2 | C14 | C13 | H3 | 119.3° | 118.6° |
| N2 | C14 | H2 | H3 | 122.0° | 123.2° |
| C14 | N2 | C11 | H8 | 79.5° | 94.0° |
| N2 | C14 | C13 | H16 | 92.9° | 80.9° |
| C14 | N2 | C15 | H27 | 51.3° | 177.4° |
| C14 | N2 | C15 | H28 | 68.7° | 62.6° |
| C14 | N2 | C15 | H29 | 171.3° | 57.4° |
| C13 | C16 | C17 | H25 | 121.0° | 120.1° |
| C13 | C16 | C17 | H26 | 121.0° | 120.0° |
| C16 | C13 | C14 | H16 | 123.1° | 123.3° |
| C16 | C13 | C14 | H2 | 24.6° | 85.8° |
| C16 | C13 | C14 | H3 | 96.7° | 37.2° |
| C16 | C13 | C12 | H14 | 118.6° | 100.7° |
| C16 | C13 | C12 | H15 | 2.8° | 21.4° |
| C13 | C16 | C17 | H23 | 10.3° | 60.0° |
| C13 | C16 | C17 | H24 | 127.8° | 60.0° |
| C13 | C16 | H25 | H26 | 116.8° | 119.9° |
| C17 | C16 | C13 | C14 | 175.1° | 66.4° |
| C17 | C16 | C13 | H16 | 52.1° | 56.8° |
| C16 | C17 | C18 | H20 | 180.0° | 60.0° |
| C16 | C17 | C18 | H21 | 60.0° | 60.0° |
| C16 | C17 | C18 | H22 | 60.0° | 180.0° |
| C16 | C17 | H23 | H24 | 116.0° | 120.0° |
| C17 | C16 | H25 | H26 | 116.8° | 120.0° |
| C13 | C14 | H2 | H3 | 122.0° | 123.0° |
| C14 | C13 | C12 | H14 | 122.5° | 140.9° |
| C14 | C13 | C12 | H15 | 116.2° | 96.9° |
| C14 | C13 | C16 | H25 | 63.9° | 173.5° |
| C14 | C13 | C16 | H26 | 54.1° | 53.6° |
| H1 | C4 | C7 | H9 | 167.1° | 178.7° |
| H1 | C4 | C3 | H19 | 51.0° | 57.6° |
| H2 | C14 | C13 | H16 | 147.8° | 37.5° |
| H3 | C14 | C13 | H16 | 26.4° | 160.5° |
| H4 | C5 | C1 | H34 | 59.8° | 57.7° |
| H5 | C6 | H6 | H7 | 120.0° | 120.0° |
| H8 | C11 | C12 | H14 | 144.2° | 122.9° |
| H8 | C11 | C12 | H15 | 22.8° | 0.8° |
| H9 | C7 | C8 | H10 | 76.6° | 65.7° |
| H9 | C7 | N1 | H17 | 173.8° | 145.0° |
| H10 | C8 | C9 | H11 | 58.3° | 180.0° |
| H10 | C8 | C9 | H12 | 178.3° | 60.0° |
| H10 | C8 | C9 | H13 | 61.7° | 60.0° |
| H10 | C8 | O8 | H30 | 60.6° | 54.1° |
| H11 | C9 | H12 | H13 | 120.0° | 120.0° |
| H14 | C12 | C13 | H16 | 3.3° | 22.6° |
| H15 | C12 | C13 | H16 | 124.7° | 144.7° |
| H16 | C13 | C16 | H25 | 173.1° | 63.3° |
| H16 | C13 | C16 | H26 | 68.9° | 176.8° |
| H19 | C3 | O7 | H31 | 46.0° | 59.9° |
| H19 | C3 | C2 | H32 | 48.4° | 56.9° |
| H20 | C18 | H21 | H22 | 120.0° | 120.0° |
| H20 | C18 | C17 | H23 | 58.8° | 60.0° |
| H20 | C18 | C17 | H24 | 58.7° | 180.0° |
| H21 | C18 | C17 | H23 | 61.3° | 180.0° |
| H21 | C18 | C17 | H24 | 178.8° | 60.0° |
| H22 | C18 | C17 | H23 | 178.8° | 60.0° |
| H22 | C18 | C17 | H24 | 61.2° | 60.0° |
| H23 | C17 | C16 | H25 | 131.4° | 60.0° |
| H23 | C17 | C16 | H26 | 110.7° | 180.0° |
| H24 | C17 | C16 | H25 | 111.2° | 180.0° |
| H24 | C17 | C16 | H26 | 6.8° | 60.0° |
| H27 | C15 | H28 | H29 | 120.0° | 120.0° |
| H32 | C2 | O6 | H33 | 62.5° | 59.8° |
| H32 | C2 | C1 | H34 | 172.3° | 177.1° |
| H34 | C1 | O4 | H35 | 62.2° | 60.2° |
