A1D7M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C13 | C11 | sing | 1.53Å | 1.52Å | |
| C20 | S1 | sing | 1.81Å | 1.76Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| O4 | S1 | doub | 1.42Å | 1.43Å | |
| S1 | O5 | doub | 1.42Å | 1.43Å | |
| S1 | N5 | sing | 1.66Å | 1.62Å | |
| C10 | C9 | sing | 1.53Å | 1.53Å | |
| C9 | N4 | sing | 1.47Å | 1.45Å | |
| C9 | C8 | sing | 1.51Å | 1.53Å | |
| N4 | C14 | sing | 1.35Å | 1.34Å | |
| N5 | C15 | sing | 1.46Å | 1.47Å | |
| O3 | C14 | doub | 1.21Å | 1.23Å | |
| C14 | C15 | sing | 1.51Å | 1.53Å | |
| C15 | C16 | sing | 1.53Å | 1.56Å | |
| C8 | N2 | sing | 1.35Å | 1.34Å | |
| C8 | O2 | doub | 1.21Å | 1.23Å | |
| N2 | C6 | sing | 1.47Å | 1.45Å | |
| C7 | C6 | sing | 1.51Å | 1.52Å | |
| C7 | N3 | doub | 1.28Å | 1.29Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| C16 | C18 | sing | 1.53Å | 1.53Å | |
| C16 | C19 | sing | 1.53Å | 1.53Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C5 | C3 | sing | 1.53Å | 1.53Å | |
| O1 | C4 | doub | 1.21Å | 1.24Å | |
| C3 | C4 | sing | 1.51Å | 1.52Å | |
| C3 | C2 | sing | 1.55Å | 1.52Å | |
| C4 | N1 | sing | 1.35Å | 1.33Å | |
| C2 | C1 | sing | 1.54Å | 1.52Å | |
| N1 | C1 | sing | 1.47Å | 1.46Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N3 | H2 | sing | 0.97Å | 1.00Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C1 | H19 | sing | 1.09Å | 1.10Å | |
| C1 | H20 | sing | 1.09Å | 1.10Å | |
| C11 | H21 | sing | 1.09Å | 1.10Å | |
| C12 | H22 | sing | 1.09Å | 1.10Å | |
| C12 | H23 | sing | 1.09Å | 1.10Å | |
| C12 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| C19 | H29 | sing | 1.09Å | 1.10Å | |
| C19 | H30 | sing | 1.09Å | 1.10Å | |
| C2 | H31 | sing | 1.09Å | 1.10Å | |
| C2 | H32 | sing | 1.09Å | 1.10Å | |
| C3 | H33 | sing | 1.09Å | 1.10Å | |
| C9 | H34 | sing | 1.09Å | 1.10Å | |
| N2 | H35 | sing | 0.97Å | 1.00Å | |
| N4 | H36 | sing | 0.97Å | 1.00Å | |
| N5 | H37 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C11 | C13 | 110.2° | 109.4° |
| C12 | C11 | C10 | 111.3° | 109.5° |
| C12 | C11 | H21 | 108.2° | 109.5° |
| C11 | C12 | H22 | 109.5° | 109.5° |
| C11 | C12 | H23 | 109.5° | 109.5° |
| C11 | C12 | H24 | 109.5° | 109.5° |
| C13 | C11 | C10 | 110.7° | 109.4° |
| C11 | C13 | H9 | 109.5° | 109.5° |
| C11 | C13 | H10 | 109.5° | 109.5° |
| C11 | C13 | H11 | 109.5° | 109.5° |
| C13 | C11 | H21 | 108.2° | 109.5° |
| C20 | S1 | O4 | 107.6° | 110.6° |
| C20 | S1 | O5 | 107.8° | 110.5° |
| C20 | S1 | N5 | 107.8° | 104.4° |
| S1 | C20 | H16 | 109.5° | 109.5° |
| S1 | C20 | H17 | 109.5° | 109.5° |
| S1 | C20 | H18 | 109.5° | 109.5° |
| C11 | C10 | C9 | 115.7° | 109.5° |
| C11 | C10 | H7 | 107.9° | 109.5° |
| C11 | C10 | H8 | 107.9° | 109.5° |
| C10 | C11 | H21 | 108.1° | 109.5° |
| O4 | S1 | O5 | 119.0° | 121.0° |
| O4 | S1 | N5 | 107.0° | 104.3° |
| O5 | S1 | N5 | 107.3° | 104.3° |
| S1 | N5 | C15 | 120.5° | 120.0° |
| S1 | N5 | H37 | 106.6° | 120.0° |
| C10 | C9 | N4 | 110.0° | 109.4° |
| C10 | C9 | C8 | 110.6° | 109.5° |
| C9 | C10 | H7 | 107.9° | 109.5° |
| C9 | C10 | H8 | 107.9° | 109.4° |
| C10 | C9 | H34 | 108.1° | 109.5° |
| N4 | C9 | C8 | 111.1° | 109.5° |
| C9 | N4 | C14 | 121.4° | 120.0° |
| N4 | C9 | H34 | 109.0° | 109.5° |
| C9 | N4 | H36 | 119.3° | 120.0° |
| C9 | C8 | N2 | 116.6° | 120.0° |
| C9 | C8 | O2 | 120.4° | 120.0° |
| C8 | C9 | H34 | 108.0° | 109.5° |
| N4 | C14 | O3 | 122.9° | 120.0° |
| N4 | C14 | C15 | 116.5° | 120.0° |
| C14 | N4 | H36 | 119.3° | 120.0° |
| N5 | C15 | C14 | 112.5° | 109.5° |
| N5 | C15 | C16 | 109.6° | 109.5° |
| N5 | C15 | H12 | 107.9° | 109.5° |
| C15 | N5 | H37 | 106.7° | 120.0° |
| O3 | C14 | C15 | 120.6° | 120.0° |
| C14 | C15 | C16 | 112.5° | 109.5° |
| C14 | C15 | H12 | 107.2° | 109.5° |
| C15 | C16 | C18 | 109.5° | 109.4° |
| C15 | C16 | C19 | 110.6° | 109.5° |
| C15 | C16 | C17 | 110.6° | 109.5° |
| C16 | C15 | H12 | 106.9° | 109.4° |
| N2 | C8 | O2 | 122.9° | 120.0° |
| C8 | N2 | C6 | 121.9° | 120.0° |
| C8 | N2 | H35 | 119.1° | 120.0° |
| N2 | C6 | C7 | 110.4° | 109.5° |
| N2 | C6 | C5 | 111.4° | 109.5° |
| N2 | C6 | H5 | 108.5° | 109.5° |
| C6 | N2 | H35 | 119.1° | 120.0° |
| C6 | C7 | N3 | 122.8° | 120.0° |
| C7 | C6 | C5 | 111.3° | 109.5° |
| C7 | C6 | H5 | 107.7° | 109.4° |
| C6 | C7 | H6 | 118.6° | 119.9° |
| C7 | N3 | H2 | 112.0° | 120.0° |
| N3 | C7 | H6 | 118.6° | 120.0° |
| C6 | C5 | C3 | 114.0° | 109.5° |
| C6 | C5 | H3 | 108.3° | 109.5° |
| C6 | C5 | H4 | 108.3° | 109.5° |
| C5 | C6 | H5 | 107.5° | 109.5° |
| C18 | C16 | C19 | 108.6° | 109.5° |
| C18 | C16 | C17 | 108.6° | 109.5° |
| C16 | C18 | H25 | 109.5° | 109.5° |
| C16 | C18 | H26 | 109.5° | 109.5° |
| C16 | C18 | H27 | 109.5° | 109.5° |
| C19 | C16 | C17 | 108.9° | 109.5° |
| C16 | C19 | H28 | 109.5° | 109.5° |
| C16 | C19 | H29 | 109.5° | 109.5° |
| C16 | C19 | H30 | 109.4° | 109.5° |
| C16 | C17 | H13 | 109.5° | 109.4° |
| C16 | C17 | H14 | 109.5° | 109.5° |
| C16 | C17 | H15 | 109.5° | 109.5° |
| C5 | C3 | C4 | 113.9° | 110.5° |
| C5 | C3 | C2 | 117.5° | 110.5° |
| C3 | C5 | H3 | 108.3° | 109.5° |
| C3 | C5 | H4 | 108.3° | 109.4° |
| C5 | C3 | H33 | 107.3° | 110.5° |
| O1 | C4 | C3 | 125.6° | 124.9° |
| O1 | C4 | N1 | 125.9° | 124.9° |
| C4 | C3 | C2 | 102.6° | 104.2° |
| C3 | C4 | N1 | 108.4° | 110.2° |
| C4 | C3 | H33 | 107.5° | 110.5° |
| C3 | C2 | C1 | 103.4° | 101.8° |
| C3 | C2 | H31 | 110.9° | 110.9° |
| C3 | C2 | H32 | 111.0° | 111.0° |
| C2 | C3 | H33 | 107.4° | 110.5° |
| C4 | N1 | C1 | 113.1° | 111.2° |
| C4 | N1 | H1 | 123.5° | 124.4° |
| C2 | C1 | N1 | 102.1° | 105.5° |
| C2 | C1 | H19 | 111.3° | 110.2° |
| C2 | C1 | H20 | 111.3° | 110.2° |
| C1 | C2 | H31 | 111.0° | 111.0° |
| C1 | C2 | H32 | 111.0° | 111.0° |
| C1 | N1 | H1 | 123.4° | 124.4° |
| N1 | C1 | H19 | 111.3° | 110.3° |
| N1 | C1 | H20 | 111.3° | 110.3° |
| H3 | C5 | H4 | 109.5° | 109.4° |
| H7 | C10 | H8 | 109.5° | 109.4° |
| H9 | C13 | H10 | 109.5° | 109.4° |
| H9 | C13 | H11 | 109.5° | 109.5° |
| H10 | C13 | H11 | 109.4° | 109.4° |
| H13 | C17 | H14 | 109.5° | 109.4° |
| H13 | C17 | H15 | 109.5° | 109.4° |
| H14 | C17 | H15 | 109.4° | 109.5° |
| H16 | C20 | H17 | 109.5° | 109.4° |
| H16 | C20 | H18 | 109.5° | 109.5° |
| H17 | C20 | H18 | 109.4° | 109.5° |
| H19 | C1 | H20 | 109.5° | 110.2° |
| H22 | C12 | H23 | 109.5° | 109.5° |
| H22 | C12 | H24 | 109.5° | 109.4° |
| H23 | C12 | H24 | 109.5° | 109.5° |
| H25 | C18 | H26 | 109.5° | 109.5° |
| H25 | C18 | H27 | 109.5° | 109.4° |
| H26 | C18 | H27 | 109.5° | 109.4° |
| H28 | C19 | H29 | 109.5° | 109.4° |
| H28 | C19 | H30 | 109.5° | 109.5° |
| H29 | C19 | H30 | 109.5° | 109.5° |
| H31 | C2 | H32 | 109.5° | 110.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C11 | C13 | C10 | 123.6° | 120.0° |
| C12 | C11 | C13 | H21 | 118.1° | 120.0° |
| C12 | C11 | C10 | H21 | 118.7° | 120.0° |
| C12 | C11 | C10 | C9 | 21.9° | 65.0° |
| C12 | C11 | C10 | H7 | 142.8° | 174.9° |
| C12 | C11 | C10 | H8 | 99.0° | 54.9° |
| C12 | C11 | C13 | H9 | 180.0° | 60.0° |
| C12 | C11 | C13 | H10 | 60.0° | 60.0° |
| C12 | C11 | C13 | H11 | 60.0° | 180.0° |
| C11 | C12 | H22 | H23 | 120.0° | 120.0° |
| C11 | C12 | H22 | H24 | 120.0° | 120.0° |
| C11 | C12 | H23 | H24 | 120.0° | 120.1° |
| C13 | C11 | C10 | H21 | 118.4° | 120.0° |
| C13 | C11 | C10 | C9 | 144.8° | 175.1° |
| C13 | C11 | C10 | H7 | 94.3° | 55.0° |
| C13 | C11 | C10 | H8 | 23.9° | 65.0° |
| C11 | C13 | H9 | H10 | 120.0° | 120.0° |
| C11 | C13 | H9 | H11 | 120.0° | 120.1° |
| C11 | C13 | H10 | H11 | 120.0° | 120.0° |
| C13 | C11 | C12 | H22 | 180.0° | 179.9° |
| C13 | C11 | C12 | H23 | 60.0° | 60.0° |
| C13 | C11 | C12 | H24 | 60.0° | 60.0° |
| C20 | S1 | O4 | O5 | 122.8° | 131.5° |
| C20 | S1 | O4 | N5 | 115.6° | 111.8° |
| C20 | S1 | O5 | N5 | 115.8° | 111.7° |
| C20 | S1 | N5 | C15 | 78.9° | 62.7° |
| S1 | C20 | H16 | H17 | 120.0° | 120.0° |
| S1 | C20 | H16 | H18 | 120.0° | 120.0° |
| S1 | C20 | H17 | H18 | 120.0° | 120.0° |
| C20 | S1 | N5 | H37 | 159.6° | 117.3° |
| C11 | C10 | C9 | H7 | 120.9° | 120.1° |
| C11 | C10 | C9 | H8 | 120.9° | 120.0° |
| C11 | C10 | C9 | N4 | 96.3° | 65.0° |
| C11 | C10 | C9 | C8 | 140.6° | 175.0° |
| C11 | C10 | H7 | H8 | 117.2° | 120.0° |
| C10 | C11 | C13 | H9 | 56.4° | 60.0° |
| C10 | C11 | C13 | H10 | 176.5° | 180.0° |
| C10 | C11 | C13 | H11 | 63.6° | 60.1° |
| C10 | C11 | C12 | H22 | 56.8° | 60.0° |
| C10 | C11 | C12 | H23 | 63.2° | 180.0° |
| C10 | C11 | C12 | H24 | 176.8° | 59.9° |
| C11 | C10 | C9 | H34 | 22.6° | 55.0° |
| O4 | S1 | O5 | N5 | 121.5° | 116.8° |
| O4 | S1 | N5 | C15 | 165.7° | 53.4° |
| O4 | S1 | C20 | H16 | 180.0° | 68.3° |
| O4 | S1 | C20 | H17 | 60.0° | 51.6° |
| O4 | S1 | C20 | H18 | 60.0° | 171.7° |
| O4 | S1 | N5 | H37 | 44.1° | 126.6° |
| O5 | S1 | N5 | C15 | 37.0° | 178.8° |
| O5 | S1 | C20 | H16 | 50.5° | 68.4° |
| O5 | S1 | C20 | H17 | 170.6° | 171.7° |
| O5 | S1 | C20 | H18 | 69.5° | 51.7° |
| O5 | S1 | N5 | H37 | 84.6° | 1.3° |
| S1 | N5 | C15 | H37 | 121.5° | 180.0° |
| S1 | N5 | C15 | C14 | 109.0° | 119.8° |
| S1 | N5 | C15 | C16 | 125.0° | 120.2° |
| S1 | N5 | C15 | H12 | 9.0° | 0.2° |
| N5 | S1 | C20 | H16 | 64.9° | 180.0° |
| N5 | S1 | C20 | H17 | 55.1° | 60.0° |
| N5 | S1 | C20 | H18 | 175.0° | 60.0° |
| C10 | C9 | N4 | C8 | 122.8° | 120.0° |
| C10 | C9 | N4 | H34 | 118.3° | 120.0° |
| C10 | C9 | C8 | H34 | 118.1° | 120.0° |
| C10 | C9 | N4 | C14 | 169.7° | 85.0° |
| C10 | C9 | C8 | N2 | 114.1° | 60.1° |
| C10 | C9 | C8 | O2 | 65.6° | 120.0° |
| C9 | C10 | H7 | H8 | 117.2° | 119.9° |
| C9 | C10 | C11 | H21 | 96.8° | 55.0° |
| C10 | C9 | N4 | H36 | 10.3° | 95.0° |
| N4 | C9 | C8 | H34 | 119.5° | 120.0° |
| C9 | N4 | C14 | H36 | 180.0° | 179.9° |
| C9 | N4 | C14 | O3 | 12.5° | 5.1° |
| C9 | N4 | C14 | C15 | 168.6° | 175.0° |
| N4 | C9 | C8 | N2 | 123.5° | 180.0° |
| N4 | C9 | C8 | O2 | 56.8° | 0.0° |
| N4 | C9 | C10 | H7 | 142.8° | 55.0° |
| N4 | C9 | C10 | H8 | 24.6° | 175.0° |
| C8 | C9 | N4 | C14 | 67.5° | 155.0° |
| C9 | C8 | N2 | O2 | 179.7° | 180.0° |
| C9 | C8 | N2 | C6 | 173.2° | 180.0° |
| C8 | C9 | C10 | H7 | 19.7° | 64.9° |
| C8 | C9 | C10 | H8 | 98.5° | 55.0° |
| C9 | C8 | N2 | H35 | 6.8° | 0.0° |
| C8 | C9 | N4 | H36 | 112.5° | 24.9° |
| N4 | C14 | C15 | N5 | 134.8° | 161.7° |
| N4 | C14 | O3 | C15 | 178.9° | 180.0° |
| N4 | C14 | C15 | C16 | 100.8° | 78.2° |
| N4 | C14 | C15 | H12 | 16.4° | 41.7° |
| C14 | N4 | C9 | H34 | 51.4° | 35.0° |
| N5 | C15 | C14 | O3 | 44.2° | 18.3° |
| N5 | C15 | C14 | C16 | 124.4° | 120.0° |
| N5 | C15 | C14 | H12 | 118.4° | 120.0° |
| N5 | C15 | C16 | H12 | 116.7° | 120.0° |
| N5 | C15 | C16 | C18 | 66.3° | 64.1° |
| N5 | C15 | C16 | C19 | 53.4° | 176.0° |
| N5 | C15 | C16 | C17 | 174.1° | 56.0° |
| O3 | C14 | C15 | C16 | 80.2° | 101.7° |
| O3 | C14 | C15 | H12 | 162.6° | 138.4° |
| O3 | C14 | N4 | H36 | 167.5° | 174.9° |
| C14 | C15 | C16 | H12 | 117.4° | 120.0° |
| C14 | C15 | C16 | C18 | 167.8° | 56.0° |
| C14 | C15 | C16 | C19 | 72.5° | 64.0° |
| C14 | C15 | C16 | C17 | 48.2° | 176.0° |
| C15 | C14 | N4 | H36 | 11.5° | 5.1° |
| C14 | C15 | N5 | H37 | 129.5° | 60.2° |
| C15 | C16 | C18 | C19 | 120.9° | 120.0° |
| C15 | C16 | C18 | C17 | 120.9° | 120.0° |
| C15 | C16 | C19 | C17 | 121.7° | 120.0° |
| C15 | C16 | C17 | H13 | 180.0° | 64.2° |
| C15 | C16 | C17 | H14 | 60.0° | 175.9° |
| C15 | C16 | C17 | H15 | 60.0° | 55.8° |
| C15 | C16 | C18 | H25 | 180.0° | 60.0° |
| C15 | C16 | C18 | H26 | 60.0° | 180.0° |
| C15 | C16 | C18 | H27 | 60.0° | 60.0° |
| C15 | C16 | C19 | H28 | 180.0° | 60.8° |
| C15 | C16 | C19 | H29 | 60.0° | 179.2° |
| C15 | C16 | C19 | H30 | 60.0° | 59.2° |
| C16 | C15 | N5 | H37 | 3.5° | 59.8° |
| C8 | N2 | C6 | H35 | 180.0° | 180.0° |
| C8 | N2 | C6 | C7 | 111.7° | 84.9° |
| C8 | N2 | C6 | C5 | 124.2° | 155.0° |
| C8 | N2 | C6 | H5 | 6.1° | 35.0° |
| N2 | C8 | C9 | H34 | 4.0° | 60.0° |
| O2 | C8 | N2 | C6 | 6.5° | 0.0° |
| O2 | C8 | C9 | H34 | 176.3° | 120.0° |
| O2 | C8 | N2 | H35 | 173.5° | 180.0° |
| N2 | C6 | C7 | C5 | 124.2° | 120.0° |
| N2 | C6 | C7 | H5 | 118.3° | 120.0° |
| N2 | C6 | C7 | N3 | 169.4° | 0.1° |
| N2 | C6 | C5 | H5 | 118.7° | 120.0° |
| N2 | C6 | C5 | C3 | 61.2° | 65.0° |
| N2 | C6 | C5 | H3 | 59.5° | 175.0° |
| N2 | C6 | C5 | H4 | 178.1° | 55.0° |
| N2 | C6 | C7 | H6 | 10.6° | 180.0° |
| C6 | C7 | N3 | H6 | 180.0° | 180.0° |
| C7 | C6 | C5 | H5 | 117.7° | 120.0° |
| C7 | C6 | C5 | C3 | 175.2° | 175.0° |
| C6 | C7 | N3 | H2 | 180.0° | 180.0° |
| C7 | C6 | C5 | H3 | 64.1° | 55.0° |
| C7 | C6 | C5 | H4 | 54.5° | 65.0° |
| C7 | C6 | N2 | H35 | 68.3° | 95.0° |
| N3 | C7 | C6 | C5 | 66.4° | 120.0° |
| N3 | C7 | C6 | H5 | 51.1° | 120.0° |
| C6 | C5 | C3 | H3 | 120.6° | 120.1° |
| C6 | C5 | C3 | H4 | 120.7° | 120.0° |
| C6 | C5 | C3 | C4 | 169.9° | 66.4° |
| C6 | C5 | C3 | C2 | 70.1° | 178.8° |
| C6 | C5 | H3 | H4 | 117.9° | 120.0° |
| C5 | C6 | C7 | H6 | 113.6° | 60.0° |
| C6 | C5 | C3 | H33 | 51.0° | 56.2° |
| C5 | C6 | N2 | H35 | 55.8° | 25.0° |
| C18 | C16 | C19 | C17 | 118.0° | 120.0° |
| C18 | C16 | C15 | H12 | 50.4° | 175.9° |
| C18 | C16 | C17 | H13 | 59.8° | 55.8° |
| C18 | C16 | C17 | H14 | 179.9° | 64.1° |
| C18 | C16 | C17 | H15 | 60.2° | 175.8° |
| C16 | C18 | H25 | H26 | 120.0° | 120.0° |
| C16 | C18 | H25 | H27 | 120.0° | 120.1° |
| C16 | C18 | H26 | H27 | 120.0° | 120.0° |
| C18 | C16 | C19 | H28 | 59.8° | 179.2° |
| C18 | C16 | C19 | H29 | 60.2° | 59.3° |
| C18 | C16 | C19 | H30 | 179.8° | 60.8° |
| C19 | C16 | C15 | H12 | 170.0° | 56.0° |
| C19 | C16 | C17 | H13 | 58.3° | 175.8° |
| C19 | C16 | C17 | H14 | 61.8° | 55.9° |
| C19 | C16 | C17 | H15 | 178.3° | 64.2° |
| C19 | C16 | C18 | H25 | 59.1° | 60.0° |
| C19 | C16 | C18 | H26 | 179.1° | 60.1° |
| C19 | C16 | C18 | H27 | 60.9° | 180.0° |
| C16 | C19 | H28 | H29 | 120.0° | 120.0° |
| C16 | C19 | H28 | H30 | 120.0° | 120.0° |
| C16 | C19 | H29 | H30 | 120.0° | 120.1° |
| C17 | C16 | C15 | H12 | 69.2° | 64.0° |
| C16 | C17 | H13 | H14 | 120.0° | 120.0° |
| C16 | C17 | H13 | H15 | 120.0° | 120.0° |
| C16 | C17 | H14 | H15 | 120.0° | 120.1° |
| C17 | C16 | C18 | H25 | 59.1° | 180.0° |
| C17 | C16 | C18 | H26 | 60.9° | 60.0° |
| C17 | C16 | C18 | H27 | 179.1° | 60.0° |
| C17 | C16 | C19 | H28 | 58.2° | 59.2° |
| C17 | C16 | C19 | H29 | 178.3° | 60.8° |
| C17 | C16 | C19 | H30 | 61.7° | 179.2° |
| C5 | C3 | C4 | O1 | 36.6° | 77.6° |
| C5 | C3 | C4 | C2 | 128.1° | 118.6° |
| C5 | C3 | C4 | H33 | 118.8° | 122.6° |
| C5 | C3 | C2 | H33 | 121.0° | 122.7° |
| C5 | C3 | C4 | N1 | 144.5° | 102.4° |
| C5 | C3 | C2 | C1 | 154.9° | 93.9° |
| C3 | C5 | H3 | H4 | 118.0° | 120.0° |
| C3 | C5 | C6 | H5 | 57.5° | 55.0° |
| C5 | C3 | C2 | H31 | 35.8° | 148.0° |
| C5 | C3 | C2 | H32 | 86.1° | 24.3° |
| O1 | C4 | C3 | N1 | 178.9° | 179.9° |
| O1 | C4 | C3 | C2 | 164.7° | 163.7° |
| O1 | C4 | N1 | C1 | 174.9° | 179.6° |
| O1 | C4 | N1 | H1 | 5.1° | 0.4° |
| O1 | C4 | C3 | H33 | 82.2° | 45.0° |
| C4 | C3 | C2 | H33 | 113.2° | 118.7° |
| C4 | C3 | C2 | C1 | 29.1° | 24.8° |
| C3 | C4 | N1 | C1 | 4.0° | 0.4° |
| C3 | C4 | N1 | H1 | 176.0° | 179.5° |
| C4 | C3 | C5 | H3 | 49.2° | 173.5° |
| C4 | C3 | C5 | H4 | 69.5° | 53.5° |
| C4 | C3 | C2 | H31 | 90.0° | 93.4° |
| C4 | C3 | C2 | H32 | 148.1° | 142.9° |
| C2 | C3 | C4 | N1 | 16.4° | 16.2° |
| C3 | C2 | C1 | H31 | 119.0° | 118.1° |
| C3 | C2 | C1 | H32 | 119.0° | 118.2° |
| C3 | C2 | C1 | N1 | 31.1° | 25.4° |
| C2 | C3 | C5 | H3 | 169.3° | 58.8° |
| C2 | C3 | C5 | H4 | 50.6° | 61.2° |
| C3 | C2 | C1 | H19 | 149.9° | 93.6° |
| C3 | C2 | C1 | H20 | 87.7° | 144.5° |
| C3 | C2 | H31 | H32 | 122.8° | 123.8° |
| C4 | N1 | C1 | C2 | 22.6° | 17.0° |
| C4 | N1 | C1 | H1 | 180.0° | 180.0° |
| C4 | N1 | C1 | H19 | 141.4° | 102.0° |
| C4 | N1 | C1 | H20 | 96.2° | 136.1° |
| N1 | C4 | C3 | H33 | 96.7° | 134.9° |
| C2 | C1 | N1 | H19 | 118.8° | 119.0° |
| C2 | C1 | N1 | H20 | 118.8° | 119.0° |
| C2 | C1 | N1 | H1 | 157.4° | 162.9° |
| C2 | C1 | H19 | H20 | 123.4° | 121.9° |
| C1 | C2 | H31 | H32 | 122.8° | 123.8° |
| C1 | C2 | C3 | H33 | 84.1° | 143.5° |
| N1 | C1 | H19 | H20 | 123.5° | 122.0° |
| N1 | C1 | C2 | H31 | 87.9° | 92.7° |
| N1 | C1 | C2 | H32 | 150.2° | 143.6° |
| H1 | N1 | C1 | H19 | 38.6° | 78.1° |
| H1 | N1 | C1 | H20 | 83.8° | 43.9° |
| H2 | N3 | C7 | H6 | 0.0° | 0.1° |
| H3 | C5 | C6 | H5 | 178.2° | 65.0° |
| H3 | C5 | C3 | H33 | 69.6° | 63.9° |
| H4 | C5 | C6 | H5 | 63.2° | 175.0° |
| H4 | C5 | C3 | H33 | 171.7° | 176.2° |
| H5 | C6 | C7 | H6 | 128.8° | 60.0° |
| H5 | C6 | N2 | H35 | 173.9° | 145.0° |
| H7 | C10 | C11 | H21 | 24.1° | 65.0° |
| H7 | C10 | C9 | H34 | 98.3° | 175.1° |
| H8 | C10 | C11 | H21 | 142.3° | 175.0° |
| H8 | C10 | C9 | H34 | 143.4° | 65.0° |
| H9 | C13 | H10 | H11 | 120.0° | 120.0° |
| H9 | C13 | C11 | H21 | 61.9° | 179.9° |
| H10 | C13 | C11 | H21 | 58.2° | 60.0° |
| H11 | C13 | C11 | H21 | 178.1° | 60.0° |
| H12 | C15 | N5 | H37 | 112.5° | 179.8° |
| H13 | C17 | H14 | H15 | 120.0° | 120.0° |
| H16 | C20 | H17 | H18 | 120.0° | 120.0° |
| H19 | C1 | C2 | H31 | 30.9° | 148.3° |
| H19 | C1 | C2 | H32 | 91.0° | 24.6° |
| H20 | C1 | C2 | H31 | 153.3° | 26.4° |
| H20 | C1 | C2 | H32 | 31.3° | 97.3° |
| H21 | C11 | C12 | H22 | 61.9° | 60.1° |
| H21 | C11 | C12 | H23 | 178.1° | 59.9° |
| H21 | C11 | C12 | H24 | 58.1° | 180.0° |
| H22 | C12 | H23 | H24 | 120.0° | 119.9° |
| H25 | C18 | H26 | H27 | 120.0° | 119.9° |
| H28 | C19 | H29 | H30 | 120.0° | 120.0° |
| H31 | C2 | C3 | H33 | 156.8° | 25.3° |
| H32 | C2 | C3 | H33 | 34.9° | 98.4° |
| H34 | C9 | N4 | H36 | 128.6° | 145.0° |
