M40
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O31 | C30 | sing | 1.43Å | 54.09Å | |
| C30 | C22 | sing | 1.53Å | 53.03Å | |
| C17 | C16 | sing | 1.53Å | 1.48Å | |
| C17 | C18 | sing | 1.53Å | 1.51Å | |
| C22 | C23 | sing | 1.53Å | 1.50Å | |
| C22 | N21 | sing | 1.47Å | 1.45Å | |
| C16 | C15 | sing | 1.53Å | 1.51Å | |
| C15 | C14 | sing | 1.53Å | 1.49Å | |
| C23 | C24 | sing | 1.53Å | 1.58Å | |
| N21 | C20 | sing | 1.35Å | 1.42Å | |
| C19 | C18 | sing | 1.53Å | 1.49Å | |
| C19 | C14 | sing | 1.53Å | 1.50Å | |
| C13 | C14 | sing | 1.53Å | 1.55Å | |
| C13 | C12 | sing | 1.53Å | 1.50Å | |
| C20 | C12 | sing | 1.51Å | 1.47Å | |
| C20 | O32 | doub | 1.21Å | 1.22Å | |
| C12 | N11 | sing | 1.46Å | 1.43Å | |
| O29 | C28 | doub | 1.21Å | 1.21Å | |
| C24 | C28 | sing | 1.51Å | 1.48Å | |
| C24 | C25 | sing | 1.55Å | 1.50Å | |
| C28 | N27 | sing | 1.34Å | 1.43Å | |
| C25 | C26 | sing | 1.54Å | 1.53Å | |
| N11 | C02 | sing | 1.35Å | 1.46Å | |
| N27 | C26 | sing | 1.47Å | 1.47Å | |
| O01 | C02 | doub | 1.21Å | 1.24Å | |
| C02 | O03 | sing | 1.35Å | 1.38Å | |
| O03 | C04 | sing | 1.45Å | 1.39Å | |
| C04 | C05 | sing | 1.51Å | 1.50Å | |
| C10 | C05 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C09 | sing | 1.38Å | 1.39Å | Aromatic |
| C05 | C06 | sing | 1.38Å | 1.40Å | Aromatic |
| C09 | C08 | doub | 1.38Å | 1.40Å | Aromatic |
| C06 | C07 | doub | 1.38Å | 1.39Å | Aromatic |
| C08 | C07 | sing | 1.38Å | 1.38Å | Aromatic |
| C04 | H1 | sing | 1.09Å | 1.10Å | |
| C06 | H3 | sing | 1.08Å | 1.08Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| N21 | H23 | sing | 0.97Å | 1.00Å | |
| C22 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C24 | H27 | sing | 1.09Å | 1.10Å | |
| C25 | H28 | sing | 1.09Å | 1.10Å | |
| C25 | H29 | sing | 1.09Å | 1.10Å | |
| C26 | H30 | sing | 1.09Å | 1.10Å | |
| C26 | H31 | sing | 1.09Å | 1.10Å | |
| N27 | H32 | sing | 0.97Å | 1.00Å | |
| O31 | H35 | sing | 0.97Å | 0.95Å | |
| S1 | O2 | doub | 1.42Å | 0.00Å | |
| S1 | O3 | sing | 1.52Å | 0.00Å | |
| S1 | O4 | doub | 1.42Å | 0.00Å | |
| S1 | C30 | sing | 1.81Å | 0.00Å | |
| C04 | H4 | sing | 1.09Å | 1.10Å | |
| C07 | H2 | sing | 1.08Å | 1.08Å | |
| C08 | H5 | sing | 1.08Å | 1.08Å | |
| C09 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| N11 | H8 | sing | 0.97Å | 1.00Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| O3 | H33 | sing | 0.97Å | 0.00Å | |
| C30 | H34 | sing | 1.09Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O31 | C30 | C22 | 2.2° | 109.4° |
| C30 | O31 | H35 | 109.5° | 114.0° |
| O31 | C30 | S1 | 90.0° | 109.5° |
| O31 | C30 | H34 | 90.0° | 109.5° |
| C30 | C22 | C23 | 31.3° | 109.5° |
| C30 | C22 | N21 | 111.6° | 109.4° |
| C30 | C22 | H24 | 90.7° | 109.5° |
| C22 | C30 | S1 | 90.0° | 109.5° |
| C22 | C30 | H34 | 90.0° | 109.5° |
| C16 | C17 | C18 | 113.5° | 109.5° |
| C17 | C16 | C15 | 112.1° | 109.5° |
| C17 | C16 | H15 | 108.8° | 109.5° |
| C17 | C16 | H16 | 108.8° | 109.5° |
| C16 | C17 | H17 | 108.5° | 109.4° |
| C16 | C17 | H18 | 108.5° | 109.5° |
| C17 | C18 | C19 | 109.3° | 109.5° |
| C18 | C17 | H17 | 108.4° | 109.5° |
| C18 | C17 | H18 | 108.5° | 109.4° |
| C17 | C18 | H19 | 109.5° | 109.4° |
| C17 | C18 | H20 | 109.5° | 109.5° |
| C23 | C22 | N21 | 110.0° | 109.4° |
| C22 | C23 | C24 | 115.2° | 109.5° |
| C23 | C22 | H24 | 116.4° | 109.5° |
| C22 | C23 | H25 | 108.0° | 109.5° |
| C22 | C23 | H26 | 108.0° | 109.4° |
| C22 | N21 | C20 | 122.8° | 120.0° |
| C22 | N21 | H23 | 118.6° | 120.0° |
| N21 | C22 | H24 | 117.3° | 109.4° |
| C16 | C15 | C14 | 112.2° | 109.4° |
| C16 | C15 | H13 | 108.8° | 109.4° |
| C16 | C15 | H14 | 108.8° | 109.4° |
| C15 | C16 | H15 | 108.8° | 109.4° |
| C15 | C16 | H16 | 108.8° | 109.4° |
| C15 | C14 | C19 | 112.1° | 109.5° |
| C15 | C14 | C13 | 109.0° | 109.5° |
| C15 | C14 | H12 | 108.4° | 109.5° |
| C14 | C15 | H13 | 108.8° | 109.5° |
| C14 | C15 | H14 | 108.8° | 109.5° |
| C23 | C24 | C28 | 113.7° | 110.5° |
| C23 | C24 | C25 | 112.1° | 110.5° |
| C24 | C23 | H25 | 108.0° | 109.5° |
| C24 | C23 | H26 | 108.0° | 109.5° |
| C23 | C24 | H27 | 107.6° | 110.4° |
| N21 | C20 | C12 | 116.5° | 120.0° |
| N21 | C20 | O32 | 121.6° | 120.0° |
| C20 | N21 | H23 | 118.6° | 120.0° |
| C18 | C19 | C14 | 112.3° | 109.5° |
| C19 | C18 | H19 | 109.5° | 109.5° |
| C19 | C18 | H20 | 109.5° | 109.5° |
| C18 | C19 | H21 | 108.8° | 109.5° |
| C18 | C19 | H22 | 108.8° | 109.4° |
| C19 | C14 | C13 | 111.2° | 109.5° |
| C19 | C14 | H12 | 108.3° | 109.5° |
| C14 | C19 | H21 | 108.8° | 109.5° |
| C14 | C19 | H22 | 108.8° | 109.5° |
| C14 | C13 | C12 | 118.7° | 109.5° |
| C14 | C13 | H10 | 107.1° | 109.5° |
| C14 | C13 | H11 | 107.1° | 109.5° |
| C13 | C14 | H12 | 107.7° | 109.5° |
| C13 | C12 | C20 | 108.3° | 109.5° |
| C13 | C12 | N11 | 108.0° | 109.5° |
| C12 | C13 | H10 | 107.1° | 109.5° |
| C12 | C13 | H11 | 107.1° | 109.5° |
| C13 | C12 | H9 | 109.8° | 109.4° |
| C12 | C20 | O32 | 121.9° | 120.0° |
| C20 | C12 | N11 | 109.4° | 109.5° |
| C20 | C12 | H9 | 110.3° | 109.5° |
| C12 | N11 | C02 | 116.1° | 120.0° |
| C12 | N11 | H8 | 121.9° | 120.0° |
| N11 | C12 | H9 | 111.0° | 109.5° |
| O29 | C28 | C24 | 128.8° | 124.9° |
| O29 | C28 | N27 | 122.9° | 125.0° |
| C28 | C24 | C25 | 106.2° | 104.2° |
| C24 | C28 | N27 | 108.3° | 110.1° |
| C28 | C24 | H27 | 108.7° | 110.5° |
| C24 | C25 | C26 | 103.2° | 101.7° |
| C25 | C24 | H27 | 108.4° | 110.6° |
| C24 | C25 | H28 | 111.0° | 111.0° |
| C24 | C25 | H29 | 111.0° | 111.0° |
| C28 | N27 | C26 | 109.3° | 111.3° |
| C28 | N27 | H32 | 125.4° | 124.4° |
| C25 | C26 | N27 | 105.7° | 105.5° |
| C26 | C25 | H28 | 111.0° | 110.9° |
| C26 | C25 | H29 | 111.0° | 111.0° |
| C25 | C26 | H30 | 110.4° | 110.3° |
| C25 | C26 | H31 | 110.4° | 110.2° |
| N11 | C02 | O01 | 123.6° | 120.0° |
| N11 | C02 | O03 | 113.2° | 119.9° |
| C02 | N11 | H8 | 121.9° | 120.0° |
| N27 | C26 | H30 | 110.4° | 110.3° |
| N27 | C26 | H31 | 110.4° | 110.3° |
| C26 | N27 | H32 | 125.4° | 124.3° |
| O01 | C02 | O03 | 121.5° | 120.1° |
| C02 | O03 | C04 | 121.8° | 117.0° |
| O03 | C04 | C05 | 114.8° | 109.5° |
| O03 | C04 | H1 | 108.1° | 109.4° |
| O03 | C04 | H4 | 108.1° | 109.4° |
| C04 | C05 | C10 | 119.4° | 120.0° |
| C04 | C05 | C06 | 120.3° | 120.0° |
| C05 | C04 | H1 | 108.1° | 109.5° |
| C05 | C04 | H4 | 108.1° | 109.5° |
| C05 | C10 | C09 | 119.7° | 120.0° |
| C10 | C05 | C06 | 120.3° | 120.0° |
| C05 | C10 | H7 | 120.1° | 120.0° |
| C10 | C09 | C08 | 120.1° | 120.0° |
| C10 | C09 | H6 | 119.9° | 120.0° |
| C09 | C10 | H7 | 120.1° | 120.0° |
| C05 | C06 | C07 | 119.9° | 120.0° |
| C05 | C06 | H3 | 120.1° | 120.0° |
| C09 | C08 | C07 | 120.2° | 120.0° |
| C09 | C08 | H5 | 119.9° | 120.0° |
| C08 | C09 | H6 | 119.9° | 120.0° |
| C06 | C07 | C08 | 119.8° | 120.0° |
| C07 | C06 | H3 | 120.1° | 120.0° |
| C06 | C07 | H2 | 120.1° | 120.0° |
| C08 | C07 | H2 | 120.1° | 120.0° |
| C07 | C08 | H5 | 119.9° | 120.0° |
| H1 | C04 | H4 | 109.5° | 109.5° |
| H10 | C13 | H11 | 109.5° | 109.4° |
| H13 | C15 | H14 | 109.4° | 109.5° |
| H15 | C16 | H16 | 109.5° | 109.5° |
| H17 | C17 | H18 | 109.5° | 109.5° |
| H19 | C18 | H20 | 109.5° | 109.5° |
| H21 | C19 | H22 | 109.5° | 109.4° |
| H25 | C23 | H26 | 109.5° | 109.4° |
| H28 | C25 | H29 | 109.5° | 110.9° |
| H30 | C26 | H31 | 109.5° | 110.2° |
| O2 | S1 | O3 | 90.0° | 104.3° |
| O2 | S1 | O4 | 90.0° | 121.1° |
| O2 | S1 | C30 | 90.0° | 110.5° |
| O3 | S1 | O4 | 90.0° | 104.3° |
| O3 | S1 | C30 | 90.0° | 104.4° |
| S1 | O3 | H33 | 90.0° | 114.0° |
| O4 | S1 | C30 | 90.0° | 110.5° |
| S1 | C30 | H34 | 90.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O31 | C30 | C22 | S1 | 90.0° | 120.0° |
| O31 | C30 | C22 | H34 | 90.0° | 120.0° |
| O31 | C30 | C22 | C23 | 159.2° | 55.0° |
| O31 | C30 | C22 | N21 | 107.6° | 175.0° |
| O31 | C30 | C22 | H24 | 12.3° | 65.1° |
| O31 | C30 | S1 | O2 | 90.0° | 72.6° |
| O31 | C30 | S1 | O3 | 90.0° | 175.8° |
| O31 | C30 | S1 | O4 | 90.0° | 64.1° |
| O31 | C30 | S1 | H34 | 90.0° | 120.0° |
| C30 | C22 | C23 | N21 | 99.0° | 120.0° |
| C30 | C22 | C23 | H24 | 37.6° | 120.1° |
| C30 | C22 | N21 | H24 | 102.7° | 120.0° |
| C30 | C22 | C23 | C24 | 160.4° | 172.2° |
| C30 | C22 | N21 | C20 | 144.9° | 85.0° |
| C30 | C22 | N21 | H23 | 35.1° | 95.0° |
| C30 | C22 | C23 | H25 | 39.5° | 67.7° |
| C30 | C22 | C23 | H26 | 78.8° | 52.2° |
| C22 | C30 | O31 | H35 | 180.0° | 59.9° |
| C22 | C30 | S1 | O2 | 90.0° | 167.4° |
| C22 | C30 | S1 | O3 | 90.0° | 55.8° |
| C22 | C30 | S1 | O4 | 90.0° | 55.8° |
| C22 | C30 | S1 | H34 | 90.0° | 120.0° |
| C16 | C17 | C18 | H17 | 120.6° | 120.0° |
| C16 | C17 | C18 | H18 | 120.6° | 120.0° |
| C17 | C16 | C15 | H15 | 120.4° | 120.0° |
| C17 | C16 | C15 | H16 | 120.4° | 120.0° |
| C17 | C16 | C15 | C14 | 49.9° | 60.0° |
| C16 | C17 | C18 | C19 | 55.3° | 60.0° |
| C17 | C16 | C15 | H13 | 70.6° | 180.0° |
| C17 | C16 | C15 | H14 | 170.3° | 60.0° |
| C17 | C16 | H15 | H16 | 118.8° | 120.1° |
| C16 | C17 | H17 | H18 | 118.2° | 120.0° |
| C16 | C17 | C18 | H19 | 64.7° | 60.0° |
| C16 | C17 | C18 | H20 | 175.2° | 180.0° |
| C18 | C17 | C16 | C15 | 52.6° | 60.0° |
| C17 | C18 | C19 | H19 | 120.0° | 120.0° |
| C17 | C18 | C19 | H20 | 120.0° | 120.0° |
| C17 | C18 | C19 | C14 | 55.9° | 60.0° |
| C18 | C17 | C16 | H15 | 173.0° | 59.9° |
| C18 | C17 | C16 | H16 | 67.8° | 179.9° |
| C18 | C17 | H17 | H18 | 118.1° | 120.0° |
| C17 | C18 | H19 | H20 | 120.1° | 120.0° |
| C17 | C18 | C19 | H21 | 176.3° | 60.0° |
| C17 | C18 | C19 | H22 | 64.5° | 180.0° |
| C23 | C22 | N21 | H24 | 136.1° | 120.0° |
| C22 | C23 | C24 | H25 | 120.8° | 120.1° |
| C22 | C23 | C24 | H26 | 120.9° | 120.0° |
| C23 | C22 | N21 | C20 | 111.5° | 155.0° |
| C22 | C23 | C24 | C28 | 179.8° | 66.5° |
| C22 | C23 | C24 | C25 | 59.7° | 178.7° |
| C23 | C22 | N21 | H23 | 68.5° | 25.0° |
| C22 | C23 | H25 | H26 | 117.4° | 119.9° |
| C22 | C23 | C24 | H27 | 59.4° | 56.1° |
| C23 | C22 | C30 | S1 | 90.0° | 65.0° |
| C23 | C22 | C30 | H34 | 90.0° | 175.0° |
| N21 | C22 | C23 | C24 | 61.4° | 67.8° |
| C22 | N21 | C20 | H23 | 180.0° | 180.0° |
| C22 | N21 | C20 | C12 | 179.7° | 180.0° |
| C22 | N21 | C20 | O32 | 0.5° | 0.0° |
| N21 | C22 | C23 | H25 | 59.4° | 52.2° |
| N21 | C22 | C23 | H26 | 177.8° | 172.2° |
| N21 | C22 | C30 | S1 | 90.0° | 55.0° |
| N21 | C22 | C30 | H34 | 90.0° | 65.0° |
| C16 | C15 | C14 | H13 | 120.4° | 120.0° |
| C16 | C15 | C14 | H14 | 120.4° | 120.0° |
| C16 | C15 | C14 | C19 | 51.1° | 60.0° |
| C16 | C15 | C14 | C13 | 174.7° | 180.0° |
| C16 | C15 | C14 | H12 | 68.3° | 60.0° |
| C16 | C15 | H13 | H14 | 118.7° | 119.9° |
| C15 | C16 | H15 | H16 | 118.8° | 119.9° |
| C15 | C16 | C17 | H17 | 173.1° | 180.0° |
| C15 | C16 | C17 | H18 | 68.0° | 60.0° |
| C15 | C14 | C19 | C18 | 55.4° | 60.0° |
| C15 | C14 | C19 | C13 | 122.3° | 120.0° |
| C15 | C14 | C19 | H12 | 119.5° | 120.0° |
| C15 | C14 | C13 | H12 | 117.4° | 120.0° |
| C15 | C14 | C13 | C12 | 179.8° | 175.0° |
| C15 | C14 | C13 | H10 | 58.9° | 55.0° |
| C15 | C14 | C13 | H11 | 58.5° | 64.9° |
| C14 | C15 | H13 | H14 | 118.7° | 120.1° |
| C14 | C15 | C16 | H15 | 170.3° | 60.0° |
| C14 | C15 | C16 | H16 | 70.5° | 180.0° |
| C15 | C14 | C19 | H21 | 175.8° | 60.0° |
| C15 | C14 | C19 | H22 | 65.0° | 180.0° |
| C23 | C24 | C28 | O29 | 40.1° | 77.5° |
| C23 | C24 | C28 | C25 | 123.7° | 118.7° |
| C23 | C24 | C28 | H27 | 119.8° | 122.5° |
| C23 | C24 | C25 | H27 | 118.6° | 122.6° |
| C23 | C24 | C28 | N27 | 141.9° | 102.4° |
| C23 | C24 | C25 | C26 | 151.2° | 93.9° |
| C24 | C23 | C22 | H24 | 162.0° | 52.1° |
| C24 | C23 | H25 | H26 | 117.3° | 120.0° |
| C23 | C24 | C25 | H28 | 32.3° | 24.2° |
| C23 | C24 | C25 | H29 | 89.8° | 148.0° |
| N21 | C20 | C12 | C13 | 96.3° | 60.0° |
| N21 | C20 | C12 | O32 | 179.9° | 180.0° |
| N21 | C20 | C12 | N11 | 146.2° | 180.0° |
| C20 | N21 | C22 | H24 | 112.4° | 35.0° |
| N21 | C20 | C12 | H9 | 23.9° | 60.0° |
| C18 | C19 | C14 | H21 | 120.4° | 120.0° |
| C18 | C19 | C14 | H22 | 120.4° | 120.0° |
| C18 | C19 | C14 | C13 | 177.7° | 180.0° |
| C18 | C19 | C14 | H12 | 64.2° | 60.0° |
| C19 | C18 | C17 | H17 | 175.9° | 180.0° |
| C19 | C18 | C17 | H18 | 65.3° | 60.0° |
| C19 | C18 | H19 | H20 | 120.1° | 120.0° |
| C18 | C19 | H21 | H22 | 118.7° | 119.9° |
| C19 | C14 | C13 | H12 | 118.5° | 120.0° |
| C19 | C14 | C13 | C12 | 56.1° | 65.0° |
| C19 | C14 | C13 | H10 | 65.2° | 175.0° |
| C19 | C14 | C13 | H11 | 177.4° | 55.0° |
| C19 | C14 | C15 | H13 | 69.3° | 180.0° |
| C19 | C14 | C15 | H14 | 171.6° | 59.9° |
| C14 | C19 | C18 | H19 | 64.1° | 60.0° |
| C14 | C19 | C18 | H20 | 175.9° | 180.0° |
| C14 | C19 | H21 | H22 | 118.7° | 120.0° |
| C14 | C13 | C12 | H10 | 121.3° | 120.0° |
| C14 | C13 | C12 | H11 | 121.3° | 120.1° |
| C14 | C13 | C12 | C20 | 175.7° | 175.0° |
| C14 | C13 | C12 | N11 | 66.0° | 65.0° |
| C14 | C13 | H10 | H11 | 115.8° | 120.0° |
| C13 | C14 | C15 | H13 | 54.3° | 60.1° |
| C13 | C14 | C15 | H14 | 64.8° | 60.0° |
| C13 | C14 | C19 | H21 | 62.0° | 60.0° |
| C13 | C14 | C19 | H22 | 57.2° | 60.0° |
| C14 | C13 | C12 | H9 | 55.1° | 55.0° |
| C13 | C12 | C20 | N11 | 117.5° | 120.0° |
| C13 | C12 | C20 | H9 | 120.2° | 120.0° |
| C13 | C12 | C20 | O32 | 83.5° | 120.0° |
| C13 | C12 | N11 | H9 | 120.4° | 120.0° |
| C13 | C12 | N11 | C02 | 162.2° | 85.0° |
| C12 | C13 | H10 | H11 | 115.8° | 119.9° |
| C12 | C13 | C14 | H12 | 62.4° | 55.0° |
| C13 | C12 | N11 | H8 | 17.8° | 95.0° |
| C20 | C12 | N11 | H9 | 121.9° | 120.0° |
| C20 | C12 | N11 | C02 | 80.1° | 155.0° |
| C20 | C12 | C13 | H10 | 54.4° | 64.9° |
| C20 | C12 | C13 | H11 | 63.0° | 54.9° |
| C12 | C20 | N21 | H23 | 0.3° | 0.0° |
| C20 | C12 | N11 | H8 | 99.8° | 25.0° |
| O32 | C20 | C12 | N11 | 33.9° | 0.0° |
| O32 | C20 | N21 | H23 | 179.5° | 180.0° |
| O32 | C20 | C12 | H9 | 156.2° | 120.0° |
| C12 | N11 | C02 | H8 | 180.0° | 180.0° |
| C12 | N11 | C02 | O01 | 8.3° | 0.0° |
| C12 | N11 | C02 | O03 | 173.7° | 179.7° |
| N11 | C12 | C13 | H10 | 172.7° | 55.1° |
| N11 | C12 | C13 | H11 | 55.3° | 175.0° |
| O29 | C28 | C24 | N27 | 178.0° | 179.9° |
| O29 | C28 | C24 | C25 | 163.8° | 163.8° |
| O29 | C28 | N27 | C26 | 179.8° | 179.5° |
| O29 | C28 | C24 | H27 | 79.7° | 45.0° |
| O29 | C28 | N27 | H32 | 0.3° | 0.4° |
| C28 | C24 | C25 | H27 | 116.7° | 118.7° |
| C28 | C24 | C25 | C26 | 26.5° | 24.9° |
| C24 | C28 | N27 | C26 | 1.7° | 0.4° |
| C28 | C24 | C23 | H25 | 59.0° | 53.6° |
| C28 | C24 | C23 | H26 | 59.3° | 173.6° |
| C28 | C24 | C25 | H28 | 92.4° | 142.9° |
| C28 | C24 | C25 | H29 | 145.5° | 93.3° |
| C24 | C28 | N27 | H32 | 178.4° | 179.6° |
| C25 | C24 | C28 | N27 | 18.2° | 16.3° |
| C24 | C25 | C26 | H28 | 119.0° | 118.1° |
| C24 | C25 | C26 | H29 | 119.0° | 118.1° |
| C24 | C25 | C26 | N27 | 25.4° | 25.5° |
| C25 | C24 | C23 | H25 | 179.4° | 61.2° |
| C25 | C24 | C23 | H26 | 61.1° | 58.7° |
| C24 | C25 | H28 | H29 | 122.9° | 123.8° |
| C24 | C25 | C26 | H30 | 144.8° | 93.6° |
| C24 | C25 | C26 | H31 | 94.0° | 144.5° |
| C28 | N27 | C26 | C25 | 15.2° | 17.1° |
| C28 | N27 | C26 | H32 | 180.0° | 180.0° |
| N27 | C28 | C24 | H27 | 98.3° | 135.1° |
| C28 | N27 | C26 | H30 | 134.6° | 102.0° |
| C28 | N27 | C26 | H31 | 104.2° | 136.0° |
| C25 | C26 | N27 | H30 | 119.4° | 119.1° |
| C25 | C26 | N27 | H31 | 119.4° | 119.0° |
| C26 | C25 | C24 | H27 | 90.2° | 143.6° |
| C26 | C25 | H28 | H29 | 122.9° | 123.8° |
| C25 | C26 | H30 | H31 | 121.8° | 121.9° |
| C25 | C26 | N27 | H32 | 164.8° | 163.0° |
| N11 | C02 | O01 | O03 | 164.2° | 179.8° |
| N11 | C02 | O03 | C04 | 170.3° | 179.8° |
| C02 | N11 | C12 | H9 | 41.8° | 35.0° |
| N27 | C26 | C25 | H28 | 93.5° | 143.6° |
| N27 | C26 | C25 | H29 | 144.4° | 92.7° |
| N27 | C26 | H30 | H31 | 121.8° | 122.0° |
| O01 | C02 | O03 | C04 | 4.6° | 0.0° |
| O01 | C02 | N11 | H8 | 171.6° | 180.0° |
| C02 | O03 | C04 | C05 | 106.4° | 180.0° |
| C02 | O03 | C04 | H1 | 132.8° | 60.0° |
| C02 | O03 | C04 | H4 | 14.4° | 60.0° |
| O03 | C02 | N11 | H8 | 6.3° | 0.3° |
| O03 | C04 | C05 | H1 | 120.8° | 120.0° |
| O03 | C04 | C05 | H4 | 120.8° | 120.0° |
| O03 | C04 | C05 | C10 | 120.5° | 90.2° |
| O03 | C04 | C05 | C06 | 59.2° | 90.0° |
| O03 | C04 | H1 | H4 | 117.6° | 120.0° |
| C04 | C05 | C10 | C06 | 179.7° | 179.8° |
| C04 | C05 | C10 | C09 | 178.9° | 179.7° |
| C04 | C05 | C06 | C07 | 179.5° | 180.0° |
| C05 | C04 | H1 | H4 | 117.6° | 120.0° |
| C04 | C05 | C06 | H3 | 0.5° | 0.0° |
| C04 | C05 | C10 | H7 | 1.1° | 0.0° |
| C05 | C10 | C09 | H7 | 180.0° | 179.7° |
| C05 | C10 | C09 | C08 | 0.9° | 0.6° |
| C10 | C05 | C06 | C07 | 0.3° | 0.2° |
| C10 | C05 | C04 | H1 | 118.7° | 149.8° |
| C10 | C05 | C06 | H3 | 179.7° | 179.8° |
| C10 | C05 | C04 | H4 | 0.3° | 29.7° |
| C05 | C10 | C09 | H6 | 179.1° | 179.7° |
| C09 | C10 | C05 | C06 | 0.9° | 0.5° |
| C10 | C09 | C08 | H6 | 180.0° | 179.7° |
| C10 | C09 | C08 | C07 | 0.3° | 0.3° |
| C10 | C09 | C08 | H5 | 179.7° | 179.7° |
| C05 | C06 | C07 | H3 | 180.0° | 180.0° |
| C05 | C06 | C07 | C08 | 0.3° | 0.0° |
| C06 | C05 | C04 | H1 | 61.5° | 30.0° |
| C06 | C05 | C04 | H4 | 180.0° | 150.0° |
| C05 | C06 | C07 | H2 | 179.7° | 180.0° |
| C06 | C05 | C10 | H7 | 179.1° | 179.7° |
| C09 | C08 | C07 | C06 | 0.3° | 0.0° |
| C09 | C08 | C07 | H5 | 180.0° | 180.0° |
| C09 | C08 | C07 | H2 | 179.7° | 180.0° |
| C08 | C09 | C10 | H7 | 179.1° | 179.7° |
| C06 | C07 | C08 | H2 | 180.0° | 180.0° |
| C06 | C07 | C08 | H5 | 179.7° | 180.0° |
| C08 | C07 | C06 | H3 | 179.7° | 180.0° |
| C07 | C08 | C09 | H6 | 179.7° | 180.0° |
| H3 | C06 | C07 | H2 | 0.3° | 0.0° |
| H10 | C13 | C14 | H12 | 176.3° | 65.0° |
| H10 | C13 | C12 | H9 | 66.2° | 175.1° |
| H11 | C13 | C14 | H12 | 58.9° | 175.0° |
| H11 | C13 | C12 | H9 | 176.4° | 65.1° |
| H12 | C14 | C15 | H13 | 171.3° | 59.9° |
| H12 | C14 | C15 | H14 | 52.1° | 180.0° |
| H12 | C14 | C19 | H21 | 56.2° | 180.0° |
| H12 | C14 | C19 | H22 | 175.4° | 60.0° |
| H13 | C15 | C16 | H15 | 49.8° | 60.0° |
| H13 | C15 | C16 | H16 | 169.0° | 60.0° |
| H14 | C15 | C16 | H15 | 69.3° | 180.0° |
| H14 | C15 | C16 | H16 | 49.9° | 60.0° |
| H15 | C16 | C17 | H17 | 66.5° | 60.1° |
| H15 | C16 | C17 | H18 | 52.4° | 179.9° |
| H16 | C16 | C17 | H17 | 52.8° | 60.0° |
| H16 | C16 | C17 | H18 | 171.6° | 59.9° |
| H17 | C17 | C18 | H19 | 55.9° | 60.0° |
| H17 | C17 | C18 | H20 | 64.2° | 60.0° |
| H18 | C17 | C18 | H19 | 174.7° | 180.0° |
| H18 | C17 | C18 | H20 | 54.6° | 60.0° |
| H19 | C18 | C19 | H21 | 56.3° | 180.0° |
| H19 | C18 | C19 | H22 | 175.5° | 60.1° |
| H20 | C18 | C19 | H21 | 63.7° | 60.0° |
| H20 | C18 | C19 | H22 | 55.5° | 60.0° |
| H23 | N21 | C22 | H24 | 67.6° | 145.0° |
| H24 | C22 | C23 | H25 | 77.1° | 172.2° |
| H24 | C22 | C23 | H26 | 41.2° | 67.9° |
| H24 | C22 | C30 | S1 | 90.0° | 174.9° |
| H24 | C22 | C30 | H34 | 90.0° | 54.9° |
| H25 | C23 | C24 | H27 | 61.5° | 176.1° |
| H26 | C23 | C24 | H27 | 179.8° | 63.9° |
| H27 | C24 | C25 | H28 | 150.8° | 98.4° |
| H27 | C24 | C25 | H29 | 28.8° | 25.4° |
| H28 | C25 | C26 | H30 | 25.8° | 24.5° |
| H28 | C25 | C26 | H31 | 147.1° | 97.4° |
| H29 | C25 | C26 | H30 | 96.2° | 148.3° |
| H29 | C25 | C26 | H31 | 25.0° | 26.4° |
| H30 | C26 | N27 | H32 | 45.4° | 78.0° |
| H31 | C26 | N27 | H32 | 75.8° | 44.0° |
| H35 | O31 | C30 | S1 | 90.0° | 179.9° |
| H35 | O31 | C30 | H34 | 90.0° | 60.1° |
| O2 | S1 | O3 | O4 | 90.0° | 127.9° |
| O2 | S1 | O3 | C30 | 90.0° | 116.1° |
| O2 | S1 | O4 | C30 | 90.0° | 131.5° |
| O2 | S1 | O3 | H33 | 90.0° | 63.9° |
| O2 | S1 | C30 | H34 | 90.0° | 47.4° |
| O3 | S1 | O4 | C30 | 90.0° | 111.7° |
| O3 | S1 | C30 | H34 | 90.0° | 64.3° |
| O4 | S1 | O3 | H33 | 90.0° | 63.9° |
| O4 | S1 | C30 | H34 | 90.0° | 175.9° |
| C30 | S1 | O3 | H33 | 90.0° | 180.0° |
| H2 | C07 | C08 | H5 | 0.3° | 0.0° |
| H5 | C08 | C09 | H6 | 0.3° | 0.0° |
| H6 | C09 | C10 | H7 | 0.9° | 0.0° |
| H8 | N11 | C12 | H9 | 138.2° | 145.0° |
