A1ARP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C36 | C37 | sing | 1.53Å | 1.53Å | |
| C36 | C35 | sing | 1.53Å | 1.53Å | |
| C37 | C35 | sing | 1.53Å | 1.53Å | |
| C25 | C22 | sing | 1.53Å | 1.53Å | |
| C35 | C33 | sing | 1.51Å | 1.51Å | |
| N32 | C33 | sing | 1.34Å | 1.34Å | Aromatic |
| N32 | N31 | doub | 1.29Å | 1.28Å | Aromatic |
| C33 | C34 | doub | 1.35Å | 1.35Å | Aromatic |
| N31 | N21 | sing | 1.29Å | 1.29Å | Aromatic |
| C34 | N21 | sing | 1.35Å | 1.35Å | Aromatic |
| N21 | C19 | sing | 1.46Å | 1.48Å | |
| C23 | C22 | sing | 1.53Å | 1.53Å | |
| C22 | C19 | sing | 1.53Å | 1.55Å | |
| C22 | C24 | sing | 1.53Å | 1.53Å | |
| C19 | C18 | sing | 1.51Å | 1.51Å | |
| C18 | O20 | doub | 1.21Å | 1.21Å | |
| C18 | N2 | sing | 1.35Å | 1.35Å | |
| C6 | N2 | sing | 1.47Å | 1.48Å | |
| C6 | C5 | sing | 1.55Å | 1.55Å | |
| N2 | C3 | sing | 1.48Å | 1.47Å | |
| O17 | C5 | sing | 1.43Å | 1.43Å | |
| C5 | C4 | sing | 1.55Å | 1.55Å | |
| C3 | C1 | sing | 1.51Å | 1.51Å | |
| C3 | C4 | sing | 1.54Å | 1.54Å | |
| O7 | C1 | doub | 1.21Å | 1.22Å | |
| C1 | N9 | sing | 1.35Å | 1.35Å | |
| N9 | C8 | sing | 1.47Å | 1.46Å | |
| C8 | C15 | sing | 1.51Å | 1.52Å | |
| C15 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | doub | 1.40Å | 1.40Å | Aromatic |
| C11 | C12 | sing | 1.40Å | 1.40Å | Aromatic |
| C12 | C16 | sing | 1.48Å | 1.49Å | |
| C16 | S29 | sing | 1.76Å | 1.76Å | Aromatic |
| C16 | C26 | doub | 1.35Å | 1.36Å | Aromatic |
| S29 | C28 | sing | 1.71Å | 1.71Å | Aromatic |
| C26 | C30 | sing | 1.51Å | 1.51Å | |
| C26 | N27 | sing | 1.31Å | 1.32Å | Aromatic |
| C28 | N27 | doub | 1.29Å | 1.29Å | Aromatic |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.08Å | 1.08Å | |
| C13 | H9 | sing | 1.08Å | 1.08Å | |
| C24 | H10 | sing | 1.09Å | 1.10Å | |
| C24 | H11 | sing | 1.09Å | 1.10Å | |
| C24 | H12 | sing | 1.09Å | 1.10Å | |
| C28 | H13 | sing | 1.08Å | 1.08Å | |
| C3 | H14 | sing | 1.09Å | 1.10Å | |
| N9 | H15 | sing | 0.97Å | 1.00Å | |
| C11 | H16 | sing | 1.08Å | 1.08Å | |
| C14 | H17 | sing | 1.08Å | 1.08Å | |
| O17 | H18 | sing | 0.97Å | 0.95Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C30 | H26 | sing | 1.09Å | 1.10Å | |
| C30 | H27 | sing | 1.09Å | 1.10Å | |
| C30 | H28 | sing | 1.09Å | 1.10Å | |
| C34 | H29 | sing | 1.08Å | 1.08Å | |
| C35 | H30 | sing | 1.09Å | 1.10Å | |
| C36 | H31 | sing | 1.09Å | 1.10Å | |
| C36 | H32 | sing | 1.09Å | 1.10Å | |
| C37 | H33 | sing | 1.09Å | 1.10Å | |
| C37 | H34 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C37 | C36 | C35 | 60.0° | 60.0° |
| C36 | C37 | C35 | 60.1° | 60.0° |
| C37 | C36 | H31 | 120.0° | 117.5° |
| C37 | C36 | H32 | 120.0° | 117.5° |
| C36 | C37 | H33 | 120.0° | 117.6° |
| C36 | C37 | H34 | 120.0° | 117.5° |
| C36 | C35 | C37 | 60.0° | 60.1° |
| C36 | C35 | C33 | 116.3° | 117.5° |
| C36 | C35 | H30 | 116.5° | 117.5° |
| C35 | C36 | H31 | 120.0° | 117.5° |
| C35 | C36 | H32 | 120.0° | 117.5° |
| C37 | C35 | C33 | 118.4° | 117.5° |
| C37 | C35 | H30 | 116.6° | 117.5° |
| C35 | C37 | H33 | 120.0° | 117.5° |
| C35 | C37 | H34 | 120.0° | 117.5° |
| C25 | C22 | C23 | 108.5° | 109.5° |
| C25 | C22 | C19 | 108.5° | 109.4° |
| C25 | C22 | C24 | 106.9° | 109.5° |
| C22 | C25 | H23 | 109.5° | 109.5° |
| C22 | C25 | H24 | 109.4° | 109.5° |
| C22 | C25 | H25 | 109.5° | 109.5° |
| C35 | C33 | N32 | 126.8° | 126.8° |
| C35 | C33 | C34 | 126.6° | 126.7° |
| C33 | C35 | H30 | 116.9° | 115.5° |
| C33 | N32 | N31 | 108.5° | 108.9° |
| N32 | C33 | C34 | 106.6° | 106.5° |
| N32 | N31 | N21 | 111.0° | 110.2° |
| C33 | C34 | N21 | 106.6° | 106.2° |
| C33 | C34 | H29 | 126.7° | 126.9° |
| N31 | N21 | C34 | 107.3° | 108.2° |
| N31 | N21 | C19 | 124.2° | 125.9° |
| C34 | N21 | C19 | 128.5° | 125.9° |
| N21 | C34 | H29 | 126.7° | 126.9° |
| N21 | C19 | C22 | 114.6° | 109.5° |
| N21 | C19 | C18 | 108.0° | 109.4° |
| N21 | C19 | H19 | 107.4° | 109.5° |
| C23 | C22 | C19 | 115.1° | 109.5° |
| C23 | C22 | C24 | 108.2° | 109.5° |
| C22 | C23 | H20 | 109.5° | 109.4° |
| C22 | C23 | H21 | 109.5° | 109.5° |
| C22 | C23 | H22 | 109.5° | 109.5° |
| C19 | C22 | C24 | 109.4° | 109.5° |
| C22 | C19 | C18 | 112.7° | 109.4° |
| C22 | C19 | H19 | 106.6° | 109.5° |
| C22 | C24 | H10 | 109.5° | 109.4° |
| C22 | C24 | H11 | 109.4° | 109.5° |
| C22 | C24 | H12 | 109.5° | 109.4° |
| C19 | C18 | O20 | 121.2° | 120.0° |
| C19 | C18 | N2 | 121.1° | 120.0° |
| C18 | C19 | H19 | 107.0° | 109.5° |
| O20 | C18 | N2 | 117.8° | 120.0° |
| C18 | N2 | C6 | 128.0° | 125.7° |
| C18 | N2 | C3 | 123.1° | 125.6° |
| N2 | C6 | C5 | 104.9° | 104.8° |
| C6 | N2 | C3 | 108.8° | 108.7° |
| N2 | C6 | H4 | 110.6° | 110.4° |
| N2 | C6 | H5 | 110.6° | 110.4° |
| C6 | C5 | O17 | 111.7° | 111.0° |
| C6 | C5 | C4 | 101.6° | 101.6° |
| C6 | C5 | H3 | 110.5° | 111.0° |
| C5 | C6 | H4 | 110.6° | 110.4° |
| C5 | C6 | H5 | 110.6° | 110.4° |
| N2 | C3 | C1 | 114.3° | 109.9° |
| N2 | C3 | C4 | 107.2° | 107.0° |
| N2 | C3 | H14 | 109.8° | 109.9° |
| O17 | C5 | C4 | 109.6° | 111.0° |
| O17 | C5 | H3 | 112.4° | 110.9° |
| C5 | O17 | H18 | 109.5° | 114.0° |
| C5 | C4 | C3 | 102.9° | 103.1° |
| C5 | C4 | H1 | 111.1° | 110.7° |
| C5 | C4 | H2 | 111.1° | 110.7° |
| C4 | C5 | H3 | 110.5° | 111.0° |
| C1 | C3 | C4 | 107.2° | 110.0° |
| C3 | C1 | O7 | 121.2° | 120.0° |
| C3 | C1 | N9 | 116.6° | 120.0° |
| C1 | C3 | H14 | 109.3° | 109.9° |
| C3 | C4 | H1 | 111.1° | 110.7° |
| C3 | C4 | H2 | 111.1° | 110.7° |
| C4 | C3 | H14 | 108.9° | 110.1° |
| O7 | C1 | N9 | 122.1° | 120.0° |
| C1 | N9 | C8 | 122.7° | 120.0° |
| C1 | N9 | H15 | 118.7° | 120.0° |
| N9 | C8 | C15 | 107.8° | 109.4° |
| N9 | C8 | H6 | 109.9° | 109.5° |
| N9 | C8 | H7 | 109.9° | 109.5° |
| C8 | N9 | H15 | 118.7° | 120.0° |
| C8 | C15 | C14 | 121.7° | 119.9° |
| C8 | C15 | C10 | 119.3° | 119.8° |
| C15 | C8 | H6 | 109.9° | 109.5° |
| C15 | C8 | H7 | 109.9° | 109.4° |
| C14 | C15 | C10 | 119.0° | 120.3° |
| C15 | C14 | C13 | 120.7° | 120.1° |
| C15 | C14 | H17 | 119.6° | 119.9° |
| C15 | C10 | C11 | 120.7° | 120.1° |
| C15 | C10 | H8 | 119.6° | 119.9° |
| C14 | C13 | C12 | 120.4° | 119.9° |
| C14 | C13 | H9 | 119.8° | 120.1° |
| C13 | C14 | H17 | 119.6° | 119.9° |
| C10 | C11 | C12 | 120.5° | 119.9° |
| C11 | C10 | H8 | 119.7° | 120.0° |
| C10 | C11 | H16 | 119.8° | 120.1° |
| C13 | C12 | C11 | 118.7° | 119.7° |
| C13 | C12 | C16 | 118.8° | 120.2° |
| C12 | C13 | H9 | 119.8° | 120.0° |
| C11 | C12 | C16 | 122.6° | 120.2° |
| C12 | C11 | H16 | 119.8° | 120.0° |
| C12 | C16 | S29 | 124.3° | 126.1° |
| C12 | C16 | C26 | 128.5° | 126.1° |
| S29 | C16 | C26 | 107.2° | 107.8° |
| C16 | S29 | C28 | 90.8° | 90.3° |
| C16 | C26 | C30 | 124.5° | 122.9° |
| C16 | C26 | N27 | 114.4° | 114.2° |
| S29 | C28 | N27 | 110.4° | 110.4° |
| S29 | C28 | H13 | 124.8° | 124.8° |
| C30 | C26 | N27 | 121.1° | 122.9° |
| C26 | C30 | H26 | 109.5° | 109.5° |
| C26 | C30 | H27 | 109.5° | 109.5° |
| C26 | C30 | H28 | 109.4° | 109.5° |
| C26 | N27 | C28 | 117.2° | 117.3° |
| N27 | C28 | H13 | 124.8° | 124.8° |
| H1 | C4 | H2 | 109.4° | 110.7° |
| H4 | C6 | H5 | 109.5° | 110.4° |
| H6 | C8 | H7 | 109.5° | 109.5° |
| H10 | C24 | H11 | 109.5° | 109.5° |
| H10 | C24 | H12 | 109.5° | 109.5° |
| H11 | C24 | H12 | 109.4° | 109.5° |
| H20 | C23 | H21 | 109.5° | 109.5° |
| H20 | C23 | H22 | 109.5° | 109.5° |
| H21 | C23 | H22 | 109.5° | 109.5° |
| H23 | C25 | H24 | 109.5° | 109.5° |
| H23 | C25 | H25 | 109.5° | 109.5° |
| H24 | C25 | H25 | 109.5° | 109.5° |
| H26 | C30 | H27 | 109.4° | 109.4° |
| H26 | C30 | H28 | 109.5° | 109.5° |
| H27 | C30 | H28 | 109.5° | 109.5° |
| H31 | C36 | H32 | 109.4° | 115.6° |
| H33 | C37 | H34 | 109.5° | 115.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C37 | C36 | C35 | H31 | 109.5° | 107.5° |
| C37 | C36 | C35 | H32 | 109.5° | 107.4° |
| C36 | C37 | C35 | H33 | 109.5° | 107.5° |
| C36 | C37 | C35 | H34 | 109.5° | 107.5° |
| C37 | C36 | C35 | C33 | 109.1° | 107.5° |
| C37 | C36 | C35 | H30 | 106.8° | 107.5° |
| C37 | C36 | H31 | H32 | 144.8° | 145.6° |
| C36 | C37 | H33 | H34 | 144.7° | 145.8° |
| C36 | C35 | C33 | H30 | 144.0° | 145.7° |
| C36 | C35 | C33 | N32 | 65.5° | 95.1° |
| C36 | C35 | C33 | C34 | 114.2° | 84.6° |
| C35 | C36 | H31 | H32 | 144.7° | 145.8° |
| C37 | C35 | C33 | H30 | 147.6° | 145.6° |
| C37 | C35 | C33 | N32 | 2.9° | 163.8° |
| C37 | C35 | C33 | C34 | 177.3° | 15.9° |
| C35 | C37 | H33 | H34 | 144.7° | 145.6° |
| C25 | C22 | C19 | N21 | 60.0° | 64.9° |
| C25 | C22 | C23 | C19 | 121.7° | 120.0° |
| C25 | C22 | C23 | C24 | 115.7° | 120.0° |
| C25 | C22 | C19 | C24 | 116.3° | 120.0° |
| C25 | C22 | C19 | C18 | 175.8° | 175.2° |
| C25 | C22 | C24 | H10 | 180.0° | 55.1° |
| C25 | C22 | C24 | H11 | 60.0° | 64.9° |
| C25 | C22 | C24 | H12 | 60.0° | 175.1° |
| C25 | C22 | C19 | H19 | 58.7° | 55.2° |
| C25 | C22 | C23 | H20 | 180.0° | 180.0° |
| C25 | C22 | C23 | H21 | 60.0° | 60.0° |
| C25 | C22 | C23 | H22 | 60.0° | 60.1° |
| C22 | C25 | H23 | H24 | 120.0° | 120.0° |
| C22 | C25 | H23 | H25 | 120.0° | 120.0° |
| C22 | C25 | H24 | H25 | 120.0° | 120.0° |
| C35 | C33 | N32 | C34 | 179.8° | 179.7° |
| C35 | C33 | N32 | N31 | 179.7° | 180.0° |
| C35 | C33 | C34 | N21 | 179.4° | 179.9° |
| C35 | C33 | C34 | H29 | 0.6° | 0.3° |
| C33 | C35 | C36 | H31 | 0.4° | 145.0° |
| C33 | C35 | C36 | H32 | 141.4° | 0.1° |
| C33 | C35 | C37 | H33 | 144.9° | 0.0° |
| C33 | C35 | C37 | H34 | 3.9° | 145.0° |
| C33 | N32 | N31 | N21 | 0.3° | 0.0° |
| N32 | C33 | C34 | N21 | 0.4° | 0.4° |
| N32 | C33 | C34 | H29 | 179.6° | 180.0° |
| N32 | C33 | C35 | H30 | 150.5° | 50.6° |
| N31 | N32 | C33 | C34 | 0.1° | 0.2° |
| N32 | N31 | N21 | C34 | 0.5° | 0.2° |
| N32 | N31 | N21 | C19 | 179.3° | 180.0° |
| C33 | C34 | N21 | N31 | 0.6° | 0.4° |
| C33 | C34 | N21 | H29 | 180.0° | 179.6° |
| C33 | C34 | N21 | C19 | 179.2° | 179.9° |
| C34 | C33 | C35 | H30 | 29.7° | 129.7° |
| N31 | N21 | C34 | C19 | 178.7° | 179.8° |
| N31 | N21 | C19 | C22 | 112.1° | 95.0° |
| N31 | N21 | C19 | C18 | 121.3° | 145.0° |
| N31 | N21 | C19 | H19 | 6.2° | 25.0° |
| N31 | N21 | C34 | H29 | 179.4° | 180.0° |
| C34 | N21 | C19 | C22 | 69.5° | 85.2° |
| C34 | N21 | C19 | C18 | 57.1° | 34.7° |
| C34 | N21 | C19 | H19 | 172.2° | 154.7° |
| N21 | C19 | C22 | C23 | 61.6° | 55.1° |
| N21 | C19 | C22 | C18 | 124.1° | 119.9° |
| N21 | C19 | C22 | H19 | 118.7° | 120.1° |
| N21 | C19 | C22 | C24 | 176.3° | 175.1° |
| N21 | C19 | C18 | H19 | 115.4° | 120.0° |
| N21 | C19 | C18 | O20 | 59.9° | 54.9° |
| N21 | C19 | C18 | N2 | 120.1° | 125.1° |
| C19 | N21 | C34 | H29 | 0.8° | 0.2° |
| C23 | C22 | C19 | C24 | 122.0° | 120.0° |
| C23 | C22 | C19 | C18 | 62.5° | 64.8° |
| C23 | C22 | C24 | H10 | 63.3° | 175.1° |
| C23 | C22 | C24 | H11 | 176.7° | 55.1° |
| C23 | C22 | C24 | H12 | 56.7° | 64.9° |
| C23 | C22 | C19 | H19 | 179.6° | 175.2° |
| C22 | C23 | H20 | H21 | 120.0° | 120.0° |
| C22 | C23 | H20 | H22 | 120.0° | 120.0° |
| C22 | C23 | H21 | H22 | 120.0° | 120.0° |
| C23 | C22 | C25 | H23 | 180.0° | 60.0° |
| C23 | C22 | C25 | H24 | 60.0° | 60.0° |
| C23 | C22 | C25 | H25 | 60.0° | 180.0° |
| C22 | C19 | C18 | H19 | 116.9° | 120.0° |
| C22 | C19 | C18 | O20 | 67.8° | 65.0° |
| C22 | C19 | C18 | N2 | 112.2° | 115.0° |
| C19 | C22 | C24 | H10 | 62.8° | 64.8° |
| C19 | C22 | C24 | H11 | 57.3° | 175.2° |
| C19 | C22 | C24 | H12 | 177.2° | 55.2° |
| C19 | C22 | C23 | H20 | 58.4° | 60.0° |
| C19 | C22 | C23 | H21 | 178.3° | 180.0° |
| C19 | C22 | C23 | H22 | 61.7° | 59.9° |
| C19 | C22 | C25 | H23 | 54.4° | 60.0° |
| C19 | C22 | C25 | H24 | 65.7° | 180.0° |
| C19 | C22 | C25 | H25 | 174.4° | 60.0° |
| C24 | C22 | C19 | C18 | 59.6° | 55.2° |
| C22 | C24 | H10 | H11 | 120.0° | 120.0° |
| C22 | C24 | H10 | H12 | 120.0° | 120.0° |
| C22 | C24 | H11 | H12 | 120.0° | 120.0° |
| C24 | C22 | C19 | H19 | 57.6° | 64.8° |
| C24 | C22 | C23 | H20 | 64.3° | 60.0° |
| C24 | C22 | C23 | H21 | 55.7° | 60.0° |
| C24 | C22 | C23 | H22 | 175.7° | 180.0° |
| C24 | C22 | C25 | H23 | 63.5° | 180.0° |
| C24 | C22 | C25 | H24 | 176.5° | 60.0° |
| C24 | C22 | C25 | H25 | 56.5° | 60.0° |
| C19 | C18 | O20 | N2 | 180.0° | 180.0° |
| C19 | C18 | N2 | C6 | 0.9° | 4.4° |
| C19 | C18 | N2 | C3 | 178.7° | 175.6° |
| O20 | C18 | N2 | C6 | 179.0° | 175.6° |
| O20 | C18 | N2 | C3 | 1.3° | 4.4° |
| O20 | C18 | C19 | H19 | 175.3° | 174.9° |
| C18 | N2 | C6 | C3 | 178.1° | 180.0° |
| C18 | N2 | C6 | C5 | 157.2° | 155.9° |
| C18 | N2 | C3 | C1 | 60.5° | 59.5° |
| C18 | N2 | C3 | C4 | 179.1° | 178.9° |
| C18 | N2 | C6 | H4 | 37.9° | 37.0° |
| C18 | N2 | C6 | H5 | 83.5° | 85.3° |
| C18 | N2 | C3 | H14 | 62.8° | 61.5° |
| N2 | C18 | C19 | H19 | 4.7° | 5.1° |
| N2 | C6 | C5 | H4 | 119.3° | 118.8° |
| N2 | C6 | C5 | H5 | 119.3° | 118.8° |
| N2 | C6 | C5 | O17 | 81.3° | 155.1° |
| N2 | C6 | C5 | C4 | 35.6° | 37.0° |
| C6 | N2 | C3 | C1 | 121.4° | 120.5° |
| C6 | N2 | C3 | C4 | 2.7° | 1.1° |
| N2 | C6 | C5 | H3 | 152.9° | 81.0° |
| N2 | C6 | H4 | H5 | 122.1° | 122.3° |
| C6 | N2 | C3 | H14 | 115.4° | 118.5° |
| C5 | C6 | N2 | C3 | 20.9° | 24.1° |
| C6 | C5 | O17 | C4 | 111.9° | 112.2° |
| C6 | C5 | O17 | H3 | 124.8° | 123.9° |
| C6 | C5 | C4 | H3 | 117.3° | 118.0° |
| C6 | C5 | C4 | C3 | 36.4° | 35.6° |
| C6 | C5 | C4 | H1 | 155.4° | 82.9° |
| C6 | C5 | C4 | H2 | 82.5° | 154.0° |
| C5 | C6 | H4 | H5 | 122.1° | 122.3° |
| C6 | C5 | O17 | H18 | 180.0° | 67.7° |
| N2 | C3 | C4 | C5 | 25.1° | 22.2° |
| N2 | C3 | C1 | C4 | 118.6° | 117.6° |
| N2 | C3 | C1 | H14 | 123.5° | 121.0° |
| N2 | C3 | C4 | H14 | 118.7° | 119.4° |
| N2 | C3 | C1 | O7 | 27.8° | 0.0° |
| N2 | C3 | C1 | N9 | 153.3° | 180.0° |
| N2 | C3 | C4 | H1 | 144.0° | 96.2° |
| N2 | C3 | C4 | H2 | 93.9° | 140.7° |
| C3 | N2 | C6 | H4 | 140.1° | 143.0° |
| C3 | N2 | C6 | H5 | 98.4° | 94.7° |
| O17 | C5 | C4 | H3 | 124.4° | 123.8° |
| O17 | C5 | C4 | C3 | 81.9° | 153.7° |
| O17 | C5 | C4 | H1 | 37.1° | 35.2° |
| O17 | C5 | C4 | H2 | 159.1° | 87.9° |
| O17 | C5 | C6 | H4 | 38.0° | 86.0° |
| O17 | C5 | C6 | H5 | 159.5° | 36.3° |
| C5 | C4 | C3 | C1 | 148.2° | 97.1° |
| C5 | C4 | C3 | H1 | 119.0° | 118.4° |
| C5 | C4 | C3 | H2 | 119.0° | 118.4° |
| C5 | C4 | H1 | H2 | 123.0° | 123.1° |
| C4 | C5 | C6 | H4 | 154.9° | 155.9° |
| C4 | C5 | C6 | H5 | 83.7° | 81.8° |
| C5 | C4 | C3 | H14 | 93.7° | 141.6° |
| C4 | C5 | O17 | H18 | 68.1° | 179.9° |
| C1 | C3 | C4 | H14 | 118.1° | 121.3° |
| C3 | C1 | O7 | N9 | 178.9° | 179.9° |
| C3 | C1 | N9 | C8 | 177.7° | 180.0° |
| C1 | C3 | C4 | H1 | 92.8° | 144.5° |
| C1 | C3 | C4 | H2 | 29.2° | 21.3° |
| C3 | C1 | N9 | H15 | 2.3° | 0.0° |
| C4 | C3 | C1 | O7 | 90.9° | 117.6° |
| C4 | C3 | C1 | N9 | 88.1° | 62.4° |
| C3 | C4 | H1 | H2 | 123.0° | 123.1° |
| C3 | C4 | C5 | H3 | 153.7° | 82.5° |
| O7 | C1 | N9 | C8 | 1.2° | 0.1° |
| O7 | C1 | C3 | H14 | 151.3° | 121.0° |
| O7 | C1 | N9 | H15 | 178.8° | 179.9° |
| C1 | N9 | C8 | H15 | 180.0° | 180.0° |
| C1 | N9 | C8 | C15 | 97.6° | 180.0° |
| C1 | N9 | C8 | H6 | 22.1° | 60.0° |
| C1 | N9 | C8 | H7 | 142.7° | 60.1° |
| N9 | C1 | C3 | H14 | 29.8° | 59.0° |
| N9 | C8 | C15 | H6 | 119.7° | 120.1° |
| N9 | C8 | C15 | H7 | 119.7° | 119.9° |
| N9 | C8 | C15 | C14 | 16.0° | 90.0° |
| N9 | C8 | C15 | C10 | 164.2° | 90.0° |
| N9 | C8 | H6 | H7 | 120.8° | 120.0° |
| C8 | C15 | C14 | C10 | 179.8° | 180.0° |
| C8 | C15 | C14 | C13 | 179.8° | 179.5° |
| C8 | C15 | C10 | C11 | 179.9° | 180.0° |
| C15 | C8 | H6 | H7 | 120.8° | 120.0° |
| C8 | C15 | C10 | H8 | 0.1° | 0.3° |
| C15 | C8 | N9 | H15 | 82.4° | 0.0° |
| C8 | C15 | C14 | H17 | 0.2° | 0.1° |
| C15 | C14 | C13 | H17 | 180.0° | 179.5° |
| C14 | C15 | C10 | C11 | 0.1° | 0.0° |
| C15 | C14 | C13 | C12 | 0.3° | 0.8° |
| C14 | C15 | C8 | H6 | 135.7° | 150.0° |
| C14 | C15 | C8 | H7 | 103.7° | 30.0° |
| C14 | C15 | C10 | H8 | 179.9° | 179.7° |
| C15 | C14 | C13 | H9 | 179.7° | 179.7° |
| C10 | C15 | C14 | C13 | 0.0° | 0.5° |
| C15 | C10 | C11 | H8 | 180.0° | 179.7° |
| C15 | C10 | C11 | C12 | 0.4° | 0.3° |
| C10 | C15 | C8 | H6 | 44.5° | 30.0° |
| C10 | C15 | C8 | H7 | 76.0° | 150.1° |
| C15 | C10 | C11 | H16 | 179.6° | 179.7° |
| C10 | C15 | C14 | H17 | 180.0° | 180.0° |
| C14 | C13 | C12 | H9 | 180.0° | 179.5° |
| C14 | C13 | C12 | C11 | 0.6° | 0.5° |
| C14 | C13 | C12 | C16 | 179.9° | 180.0° |
| C10 | C11 | C12 | C13 | 0.7° | 0.0° |
| C10 | C11 | C12 | H16 | 180.0° | 180.0° |
| C10 | C11 | C12 | C16 | 179.9° | 179.4° |
| C13 | C12 | C11 | C16 | 179.4° | 179.4° |
| C13 | C12 | C16 | S29 | 38.8° | 130.4° |
| C13 | C12 | C16 | C26 | 140.0° | 49.5° |
| C13 | C12 | C11 | H16 | 179.3° | 180.0° |
| C12 | C13 | C14 | H17 | 179.7° | 179.7° |
| C11 | C12 | C16 | S29 | 140.7° | 49.0° |
| C11 | C12 | C16 | C26 | 40.6° | 131.1° |
| C12 | C11 | C10 | H8 | 179.5° | 180.0° |
| C11 | C12 | C13 | H9 | 179.4° | 180.0° |
| C12 | C16 | S29 | C26 | 179.0° | 179.9° |
| C12 | C16 | S29 | C28 | 179.5° | 179.8° |
| C12 | C16 | C26 | C30 | 0.6° | 0.0° |
| C12 | C16 | C26 | N27 | 179.5° | 179.7° |
| C16 | C12 | C13 | H9 | 0.0° | 0.5° |
| C16 | C12 | C11 | H16 | 0.1° | 0.6° |
| S29 | C16 | C26 | C30 | 179.5° | 179.9° |
| S29 | C16 | C26 | N27 | 0.5° | 0.2° |
| C16 | S29 | C28 | N27 | 0.4° | 0.0° |
| C16 | S29 | C28 | H13 | 179.6° | 179.9° |
| C26 | C16 | S29 | C28 | 0.5° | 0.1° |
| C16 | C26 | C30 | N27 | 179.9° | 179.7° |
| C16 | C26 | N27 | C28 | 0.3° | 0.2° |
| C16 | C26 | C30 | H26 | 179.9° | 84.7° |
| C16 | C26 | C30 | H27 | 60.0° | 35.2° |
| C16 | C26 | C30 | H28 | 60.1° | 155.2° |
| S29 | C28 | N27 | C26 | 0.1° | 0.1° |
| S29 | C28 | N27 | H13 | 180.0° | 179.9° |
| C30 | C26 | N27 | C28 | 179.8° | 180.0° |
| C26 | C30 | H26 | H27 | 120.0° | 120.0° |
| C26 | C30 | H26 | H28 | 120.0° | 120.1° |
| C26 | C30 | H27 | H28 | 120.0° | 120.0° |
| C26 | N27 | C28 | H13 | 179.9° | 180.0° |
| N27 | C26 | C30 | H26 | 0.0° | 95.0° |
| N27 | C26 | C30 | H27 | 120.0° | 145.0° |
| N27 | C26 | C30 | H28 | 120.0° | 25.0° |
| H1 | C4 | C5 | H3 | 87.3° | 159.1° |
| H1 | C4 | C3 | H14 | 25.3° | 23.2° |
| H2 | C4 | C5 | H3 | 34.8° | 36.0° |
| H2 | C4 | C3 | H14 | 147.4° | 99.9° |
| H3 | C5 | C6 | H4 | 87.8° | 37.8° |
| H3 | C5 | C6 | H5 | 33.6° | 160.1° |
| H3 | C5 | O17 | H18 | 55.2° | 56.1° |
| H6 | C8 | N9 | H15 | 157.8° | 120.0° |
| H7 | C8 | N9 | H15 | 37.3° | 119.9° |
| H8 | C10 | C11 | H16 | 0.5° | 0.0° |
| H9 | C13 | C14 | H17 | 0.3° | 0.2° |
| H10 | C24 | H11 | H12 | 120.0° | 120.0° |
| H20 | C23 | H21 | H22 | 120.0° | 120.0° |
| H23 | C25 | H24 | H25 | 120.0° | 120.0° |
| H26 | C30 | H27 | H28 | 120.0° | 120.0° |
| H30 | C35 | C36 | H31 | 143.7° | 0.1° |
| H30 | C35 | C36 | H32 | 2.7° | 145.0° |
| H30 | C35 | C37 | H33 | 2.8° | 144.9° |
| H30 | C35 | C37 | H34 | 143.8° | 0.1° |
| H31 | C36 | C37 | H33 | 141.0° | 145.0° |
| H31 | C36 | C37 | H34 | 0.0° | 0.1° |
| H32 | C36 | C37 | H33 | 0.0° | 0.0° |
| H32 | C36 | C37 | H34 | 141.1° | 145.0° |
