A1ICO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | N20 | sing | 1.47Å | 1.49Å | |
| N25 | C26 | doub | 1.30Å | 1.32Å | |
| N25 | C24 | sing | 1.34Å | 1.32Å | |
| C26 | N27 | sing | 1.36Å | 1.36Å | |
| N20 | C24 | sing | 1.36Å | 1.33Å | Aromatic |
| N20 | C21 | sing | 1.37Å | 1.34Å | Aromatic |
| C24 | C23 | doub | 1.40Å | 1.34Å | Aromatic |
| N27 | C28 | sing | 1.46Å | 1.45Å | |
| N27 | C18 | sing | 1.35Å | 1.33Å | |
| O16 | C29 | sing | 1.43Å | 1.42Å | |
| C28 | C29 | sing | 1.53Å | 1.51Å | |
| C21 | C22 | doub | 1.35Å | 1.34Å | Aromatic |
| C23 | C18 | sing | 1.42Å | 1.36Å | |
| C23 | C22 | sing | 1.46Å | 1.35Å | Aromatic |
| C18 | O17 | doub | 1.22Å | 1.23Å | |
| C29 | C15 | sing | 1.53Å | 1.56Å | |
| C29 | C30 | sing | 1.53Å | 1.54Å | |
| C15 | C14 | sing | 1.53Å | 1.54Å | |
| C14 | N32 | sing | 1.47Å | 1.48Å | |
| C30 | C31 | sing | 1.53Å | 1.52Å | |
| N32 | C31 | sing | 1.47Å | 1.51Å | |
| N32 | C34 | sing | 1.35Å | 1.35Å | |
| C08 | C09 | doub | 1.38Å | 1.39Å | Aromatic |
| C08 | C07 | sing | 1.38Å | 1.38Å | Aromatic |
| C34 | O33 | doub | 1.21Å | 1.22Å | |
| C34 | C35 | sing | 1.51Å | 1.52Å | |
| C09 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C07 | C06 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C06 | C11 | sing | 1.38Å | 1.41Å | Aromatic |
| C11 | C36 | sing | 1.51Å | 1.39Å | |
| C35 | C36 | sing | 1.53Å | 1.53Å | |
| C35 | C13 | sing | 1.53Å | 1.50Å | |
| C36 | C37 | sing | 1.53Å | 1.55Å | |
| C13 | C12 | sing | 1.53Å | 1.55Å | |
| C37 | N38 | sing | 1.47Å | 1.48Å | |
| C12 | N38 | sing | 1.47Å | 1.49Å | |
| N38 | C39 | sing | 1.47Å | 1.47Å | |
| C39 | C42 | sing | 1.51Å | 1.51Å | |
| C42 | S43 | sing | 1.71Å | 1.65Å | Aromatic |
| C42 | N41 | doub | 1.29Å | 1.33Å | Aromatic |
| S43 | C44 | sing | 1.76Å | 1.75Å | Aromatic |
| N41 | C40 | sing | 1.31Å | 1.34Å | Aromatic |
| C40 | C44 | doub | 1.35Å | 1.33Å | Aromatic |
| C44 | C45 | sing | 1.48Å | 1.34Å | |
| C45 | C05 | doub | 1.40Å | 1.42Å | Aromatic |
| C45 | C01 | sing | 1.40Å | 1.40Å | Aromatic |
| C05 | C04 | sing | 1.38Å | 1.39Å | Aromatic |
| C01 | C02 | doub | 1.38Å | 1.40Å | Aromatic |
| C04 | N03 | doub | 1.32Å | 1.41Å | Aromatic |
| C02 | N03 | sing | 1.32Å | 1.41Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H29 | sing | 1.09Å | 1.10Å | |
| C01 | H01 | sing | 1.08Å | 1.08Å | |
| C02 | H02 | sing | 1.08Å | 1.08Å | |
| C04 | H04 | sing | 1.08Å | 1.08Å | |
| C05 | H05 | sing | 1.08Å | 1.08Å | |
| C07 | H07 | sing | 1.08Å | 1.08Å | |
| C08 | H08 | sing | 1.08Å | 1.08Å | |
| C09 | H09 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H2C | sing | 1.09Å | 1.10Å | |
| C19 | H2A | sing | 1.09Å | 1.10Å | |
| C19 | H2B | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H33 | sing | 1.09Å | 1.10Å | |
| C31 | H32 | sing | 1.09Å | 1.10Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C37 | H38 | sing | 1.09Å | 1.10Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C39 | H39 | sing | 1.09Å | 1.10Å | |
| C39 | H4A | sing | 1.09Å | 1.10Å | |
| C40 | H40 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| O16 | H41 | sing | 0.97Å | 0.95Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C06 | H06 | sing | 1.08Å | 1.08Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | N20 | C24 | 118.0° | 124.9° |
| C19 | N20 | C21 | 134.1° | 124.9° |
| N20 | C19 | H2C | 109.5° | 109.4° |
| N20 | C19 | H2A | 109.5° | 109.5° |
| N20 | C19 | H2B | 109.4° | 109.5° |
| C26 | N25 | C24 | 118.1° | 121.3° |
| N25 | C26 | N27 | 121.8° | 122.4° |
| N25 | C26 | H26 | 119.1° | 118.8° |
| N25 | C24 | N20 | 128.1° | 133.7° |
| N25 | C24 | C23 | 121.5° | 119.1° |
| C26 | N27 | C28 | 115.9° | 119.9° |
| C26 | N27 | C18 | 120.1° | 120.2° |
| N27 | C26 | H26 | 119.1° | 118.8° |
| C24 | N20 | C21 | 107.9° | 110.2° |
| N20 | C24 | C23 | 110.4° | 107.2° |
| N20 | C21 | C22 | 106.4° | 109.6° |
| N20 | C21 | H21 | 126.8° | 125.2° |
| C24 | C23 | C18 | 120.5° | 118.9° |
| C24 | C23 | C22 | 104.7° | 106.4° |
| C28 | N27 | C18 | 123.9° | 119.9° |
| N27 | C28 | C29 | 106.5° | 109.5° |
| N27 | C28 | H28 | 110.2° | 109.5° |
| N27 | C28 | H29 | 110.2° | 109.4° |
| N27 | C18 | C23 | 117.9° | 118.1° |
| N27 | C18 | O17 | 118.0° | 121.0° |
| O16 | C29 | C28 | 110.8° | 109.5° |
| O16 | C29 | C15 | 105.1° | 109.5° |
| O16 | C29 | C30 | 109.9° | 109.4° |
| C29 | O16 | H41 | 109.5° | 114.0° |
| C28 | C29 | C15 | 112.7° | 109.5° |
| C28 | C29 | C30 | 105.5° | 109.4° |
| C29 | C28 | H28 | 110.2° | 109.5° |
| C29 | C28 | H29 | 110.2° | 109.5° |
| C21 | C22 | C23 | 110.6° | 106.7° |
| C22 | C21 | H21 | 126.8° | 125.2° |
| C21 | C22 | H22 | 124.7° | 126.6° |
| C18 | C23 | C22 | 134.8° | 134.7° |
| C23 | C18 | O17 | 124.1° | 121.0° |
| C23 | C22 | H22 | 124.7° | 126.7° |
| C15 | C29 | C30 | 112.9° | 109.5° |
| C29 | C15 | C14 | 109.3° | 109.3° |
| C29 | C15 | H18 | 109.5° | 109.5° |
| C29 | C15 | H19 | 109.5° | 109.6° |
| C29 | C30 | C31 | 108.1° | 109.3° |
| C29 | C30 | H30 | 109.8° | 109.5° |
| C29 | C30 | H31 | 109.8° | 109.5° |
| C15 | C14 | N32 | 107.9° | 108.8° |
| C14 | C15 | H18 | 109.5° | 109.5° |
| C14 | C15 | H19 | 109.5° | 109.5° |
| C15 | C14 | H16 | 109.9° | 109.6° |
| C15 | C14 | H17 | 109.8° | 109.6° |
| C14 | N32 | C31 | 116.0° | 118.8° |
| C14 | N32 | C34 | 120.2° | 120.6° |
| N32 | C14 | H16 | 109.8° | 109.6° |
| N32 | C14 | H17 | 109.9° | 109.6° |
| C30 | C31 | N32 | 109.8° | 108.7° |
| C31 | C30 | H30 | 109.8° | 109.4° |
| C31 | C30 | H31 | 109.8° | 109.5° |
| C30 | C31 | H33 | 109.4° | 109.6° |
| C30 | C31 | H32 | 109.4° | 109.6° |
| C31 | N32 | C34 | 123.5° | 120.6° |
| N32 | C31 | H33 | 109.4° | 109.6° |
| N32 | C31 | H32 | 109.4° | 109.7° |
| N32 | C34 | O33 | 124.9° | 120.0° |
| N32 | C34 | C35 | 116.9° | 120.0° |
| C09 | C08 | C07 | 119.3° | 120.0° |
| C08 | C09 | C10 | 122.5° | 120.0° |
| C09 | C08 | H08 | 120.4° | 120.0° |
| C08 | C09 | H09 | 118.8° | 120.0° |
| C08 | C07 | C06 | 119.1° | 120.0° |
| C08 | C07 | H07 | 120.4° | 120.0° |
| C07 | C08 | H08 | 120.4° | 120.0° |
| O33 | C34 | C35 | 118.3° | 120.0° |
| C34 | C35 | C36 | 111.4° | 109.6° |
| C34 | C35 | C13 | 109.9° | 109.5° |
| C34 | C35 | H35 | 108.2° | 109.6° |
| C09 | C10 | C11 | 118.4° | 120.0° |
| C09 | C10 | H10 | 120.8° | 120.0° |
| C10 | C09 | H09 | 118.8° | 120.0° |
| C07 | C06 | C11 | 121.3° | 120.0° |
| C06 | C07 | H07 | 120.5° | 120.0° |
| C07 | C06 | H06 | 119.3° | 120.0° |
| C10 | C11 | C06 | 119.5° | 120.1° |
| C10 | C11 | C36 | 118.1° | 120.0° |
| C11 | C10 | H10 | 120.8° | 120.1° |
| C06 | C11 | C36 | 122.4° | 120.0° |
| C11 | C06 | H06 | 119.4° | 120.0° |
| C11 | C36 | C35 | 110.3° | 109.5° |
| C11 | C36 | C37 | 111.5° | 109.5° |
| C11 | C36 | H36 | 109.9° | 109.5° |
| C36 | C35 | C13 | 110.7° | 109.1° |
| C35 | C36 | C37 | 109.2° | 109.3° |
| C35 | C36 | H36 | 108.1° | 109.5° |
| C36 | C35 | H35 | 108.1° | 109.5° |
| C35 | C13 | C12 | 105.9° | 109.3° |
| C13 | C35 | H35 | 108.5° | 109.6° |
| C35 | C13 | H14 | 110.3° | 109.5° |
| C35 | C13 | H15 | 110.4° | 109.6° |
| C36 | C37 | N38 | 109.5° | 109.5° |
| C37 | C36 | H36 | 107.8° | 109.5° |
| C36 | C37 | H38 | 109.5° | 109.4° |
| C36 | C37 | H37 | 109.5° | 109.5° |
| C13 | C12 | N38 | 112.0° | 109.5° |
| C13 | C12 | H12 | 108.8° | 109.5° |
| C13 | C12 | H13 | 108.8° | 109.4° |
| C12 | C13 | H14 | 110.3° | 109.5° |
| C12 | C13 | H15 | 110.3° | 109.5° |
| C37 | N38 | C12 | 108.9° | 111.2° |
| C37 | N38 | C39 | 111.0° | 111.0° |
| N38 | C37 | H38 | 109.4° | 109.5° |
| N38 | C37 | H37 | 109.4° | 109.4° |
| C12 | N38 | C39 | 109.3° | 111.0° |
| N38 | C12 | H12 | 108.8° | 109.5° |
| N38 | C12 | H13 | 108.8° | 109.5° |
| N38 | C39 | C42 | 109.8° | 109.5° |
| N38 | C39 | H39 | 109.4° | 109.5° |
| N38 | C39 | H4A | 109.4° | 109.5° |
| C39 | C42 | S43 | 125.8° | 124.8° |
| C39 | C42 | N41 | 122.8° | 124.9° |
| C42 | C39 | H39 | 109.4° | 109.5° |
| C42 | C39 | H4A | 109.4° | 109.4° |
| S43 | C42 | N41 | 111.4° | 110.4° |
| C42 | S43 | C44 | 91.1° | 90.3° |
| C42 | N41 | C40 | 115.2° | 117.3° |
| S43 | C44 | C40 | 109.2° | 107.8° |
| S43 | C44 | C45 | 127.3° | 126.1° |
| N41 | C40 | C44 | 113.1° | 114.2° |
| N41 | C40 | H40 | 123.5° | 122.9° |
| C40 | C44 | C45 | 123.5° | 126.1° |
| C44 | C40 | H40 | 123.4° | 122.9° |
| C44 | C45 | C05 | 119.6° | 121.0° |
| C44 | C45 | C01 | 120.7° | 120.9° |
| C05 | C45 | C01 | 119.7° | 118.1° |
| C45 | C05 | C04 | 121.3° | 119.0° |
| C45 | C05 | H05 | 119.4° | 120.5° |
| C45 | C01 | C02 | 119.8° | 119.0° |
| C45 | C01 | H01 | 120.1° | 120.5° |
| C05 | C04 | N03 | 118.5° | 120.9° |
| C05 | C04 | H04 | 120.7° | 119.5° |
| C04 | C05 | H05 | 119.3° | 120.5° |
| C01 | C02 | N03 | 119.7° | 120.9° |
| C02 | C01 | H01 | 120.1° | 120.5° |
| C01 | C02 | H02 | 120.1° | 119.6° |
| C04 | N03 | C02 | 121.0° | 122.1° |
| N03 | C04 | H04 | 120.8° | 119.6° |
| N03 | C02 | H02 | 120.2° | 119.6° |
| H18 | C15 | H19 | 109.5° | 109.5° |
| H28 | C28 | H29 | 109.5° | 109.4° |
| H12 | C12 | H13 | 109.4° | 109.4° |
| H16 | C14 | H17 | 109.5° | 109.7° |
| H2C | C19 | H2A | 109.4° | 109.4° |
| H2C | C19 | H2B | 109.4° | 109.4° |
| H2A | C19 | H2B | 109.5° | 109.5° |
| H30 | C30 | H31 | 109.5° | 109.5° |
| H33 | C31 | H32 | 109.5° | 109.6° |
| H38 | C37 | H37 | 109.5° | 109.5° |
| H39 | C39 | H4A | 109.5° | 109.4° |
| H14 | C13 | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | N20 | C24 | N25 | 1.0° | 0.1° |
| C19 | N20 | C24 | C21 | 179.4° | 180.0° |
| C19 | N20 | C24 | C23 | 179.9° | 179.8° |
| C19 | N20 | C21 | C22 | 179.7° | 180.0° |
| C19 | N20 | C21 | H21 | 0.3° | 0.2° |
| N20 | C19 | H2C | H2A | 120.0° | 120.0° |
| N20 | C19 | H2C | H2B | 120.0° | 120.0° |
| N20 | C19 | H2A | H2B | 120.0° | 120.1° |
| N25 | C26 | N27 | H26 | 180.0° | 179.8° |
| C26 | N25 | C24 | N20 | 179.8° | 179.9° |
| C26 | N25 | C24 | C23 | 1.5° | 0.4° |
| N25 | C26 | N27 | C28 | 178.5° | 179.9° |
| N25 | C26 | N27 | C18 | 1.2° | 0.1° |
| C24 | N25 | C26 | N27 | 0.3° | 0.2° |
| N25 | C24 | N20 | C23 | 178.8° | 179.7° |
| N25 | C24 | N20 | C21 | 179.6° | 180.0° |
| N25 | C24 | C23 | C18 | 1.3° | 0.6° |
| N25 | C24 | C23 | C22 | 179.6° | 179.8° |
| C24 | N25 | C26 | H26 | 179.7° | 180.0° |
| C26 | N27 | C28 | C18 | 177.1° | 179.9° |
| C26 | N27 | C28 | C29 | 73.5° | 90.0° |
| C26 | N27 | C18 | C23 | 1.4° | 0.3° |
| C26 | N27 | C18 | O17 | 178.9° | 179.2° |
| C26 | N27 | C28 | H28 | 167.0° | 30.1° |
| C26 | N27 | C28 | H29 | 46.1° | 150.0° |
| C24 | N20 | C21 | C22 | 0.5° | 0.0° |
| N20 | C24 | C23 | C18 | 179.8° | 179.6° |
| N20 | C24 | C23 | C22 | 0.7° | 0.4° |
| C24 | N20 | C21 | H21 | 179.5° | 179.7° |
| C24 | N20 | C19 | H2C | 180.0° | 90.0° |
| C24 | N20 | C19 | H2A | 60.0° | 150.0° |
| C24 | N20 | C19 | H2B | 60.0° | 29.9° |
| C21 | N20 | C24 | C23 | 0.8° | 0.3° |
| N20 | C21 | C22 | H21 | 180.0° | 179.7° |
| N20 | C21 | C22 | C23 | 0.1° | 0.3° |
| C21 | N20 | C19 | H2C | 0.8° | 90.0° |
| C21 | N20 | C19 | H2A | 120.8° | 29.9° |
| C21 | N20 | C19 | H2B | 119.1° | 150.0° |
| N20 | C21 | C22 | H22 | 180.0° | 179.7° |
| C24 | C23 | C18 | N27 | 0.2° | 0.6° |
| C24 | C23 | C22 | C21 | 0.4° | 0.4° |
| C24 | C23 | C18 | C22 | 178.7° | 178.9° |
| C24 | C23 | C18 | O17 | 179.8° | 179.0° |
| C24 | C23 | C22 | H22 | 179.6° | 179.5° |
| N27 | C28 | C29 | O16 | 54.1° | 60.0° |
| N27 | C28 | C29 | H28 | 119.6° | 120.0° |
| N27 | C28 | C29 | H29 | 119.5° | 120.0° |
| C28 | N27 | C18 | C23 | 178.4° | 179.7° |
| C28 | N27 | C18 | O17 | 1.9° | 0.7° |
| N27 | C28 | C29 | C15 | 171.6° | 180.0° |
| N27 | C28 | C29 | C30 | 64.8° | 59.9° |
| N27 | C28 | H28 | H29 | 121.4° | 120.0° |
| C28 | N27 | C26 | H26 | 1.6° | 0.1° |
| C18 | N27 | C28 | C29 | 103.6° | 90.0° |
| N27 | C18 | C23 | O17 | 179.6° | 179.6° |
| N27 | C18 | C23 | C22 | 178.5° | 179.5° |
| C18 | N27 | C28 | H28 | 15.9° | 150.0° |
| C18 | N27 | C28 | H29 | 136.8° | 30.0° |
| C18 | N27 | C26 | H26 | 178.8° | 180.0° |
| O16 | C29 | C28 | C15 | 117.5° | 120.0° |
| O16 | C29 | C28 | C30 | 118.9° | 119.9° |
| O16 | C29 | C15 | C30 | 119.8° | 120.0° |
| O16 | C29 | C15 | C14 | 62.4° | 58.6° |
| O16 | C29 | C30 | C31 | 60.2° | 58.6° |
| O16 | C29 | C15 | H18 | 177.6° | 61.3° |
| O16 | C29 | C15 | H19 | 57.5° | 178.6° |
| O16 | C29 | C28 | H28 | 173.7° | 60.0° |
| O16 | C29 | C28 | H29 | 65.4° | 180.0° |
| O16 | C29 | C30 | H30 | 59.6° | 61.3° |
| O16 | C29 | C30 | H31 | 180.0° | 178.6° |
| C28 | C29 | C15 | C30 | 119.4° | 120.0° |
| C28 | C29 | C15 | C14 | 176.8° | 178.6° |
| C28 | C29 | C30 | C31 | 179.7° | 178.6° |
| C28 | C29 | C15 | H18 | 56.8° | 58.7° |
| C28 | C29 | C15 | H19 | 63.3° | 61.4° |
| C29 | C28 | H28 | H29 | 121.4° | 120.0° |
| C28 | C29 | C30 | H30 | 59.9° | 58.7° |
| C28 | C29 | C30 | H31 | 60.5° | 61.5° |
| C28 | C29 | O16 | H41 | 180.0° | 59.9° |
| C21 | C22 | C23 | C18 | 179.2° | 179.4° |
| C21 | C22 | C23 | H22 | 180.0° | 179.9° |
| C18 | C23 | C22 | H22 | 0.7° | 0.5° |
| C22 | C23 | C18 | O17 | 1.1° | 0.1° |
| C23 | C22 | C21 | H21 | 180.0° | 180.0° |
| C29 | C15 | C14 | H18 | 120.0° | 119.9° |
| C29 | C15 | C14 | H19 | 120.0° | 120.1° |
| C29 | C15 | C14 | N32 | 54.7° | 54.7° |
| C15 | C29 | C30 | C31 | 56.8° | 61.4° |
| C29 | C15 | H18 | H19 | 120.1° | 120.2° |
| C15 | C29 | C28 | H28 | 68.8° | 60.0° |
| C15 | C29 | C28 | H29 | 52.1° | 60.0° |
| C29 | C15 | C14 | H16 | 174.4° | 174.4° |
| C29 | C15 | C14 | H17 | 65.1° | 65.1° |
| C15 | C29 | C30 | H30 | 176.6° | 178.7° |
| C15 | C29 | C30 | H31 | 62.9° | 58.5° |
| C15 | C29 | O16 | H41 | 58.0° | 179.9° |
| C30 | C29 | C15 | C14 | 57.4° | 61.4° |
| C29 | C30 | C31 | H30 | 119.8° | 119.9° |
| C29 | C30 | C31 | H31 | 119.8° | 120.0° |
| C29 | C30 | C31 | N32 | 54.8° | 54.6° |
| C30 | C29 | C15 | H18 | 62.6° | 178.7° |
| C30 | C29 | C15 | H19 | 177.4° | 58.5° |
| C30 | C29 | C28 | H28 | 54.7° | 180.0° |
| C30 | C29 | C28 | H29 | 175.6° | 60.1° |
| C29 | C30 | H30 | H31 | 120.7° | 120.2° |
| C29 | C30 | C31 | H33 | 65.2° | 65.1° |
| C29 | C30 | C31 | H32 | 174.9° | 174.6° |
| C30 | C29 | O16 | H41 | 63.8° | 60.0° |
| C15 | C14 | N32 | H16 | 119.8° | 119.8° |
| C15 | C14 | N32 | H17 | 119.8° | 119.8° |
| C15 | C14 | N32 | C31 | 58.6° | 53.6° |
| C15 | C14 | N32 | C34 | 115.4° | 126.4° |
| C14 | C15 | H18 | H19 | 120.1° | 120.0° |
| C15 | C14 | H16 | H17 | 120.7° | 120.4° |
| C14 | N32 | C31 | C30 | 59.7° | 53.6° |
| C14 | N32 | C31 | C34 | 173.8° | 179.9° |
| C14 | N32 | C34 | O33 | 4.8° | 5.2° |
| C14 | N32 | C34 | C35 | 175.1° | 174.8° |
| N32 | C14 | C15 | H18 | 65.3° | 174.6° |
| N32 | C14 | C15 | H19 | 174.6° | 65.4° |
| N32 | C14 | H16 | H17 | 120.7° | 120.3° |
| C14 | N32 | C31 | H33 | 60.3° | 66.2° |
| C14 | N32 | C31 | H32 | 179.8° | 173.5° |
| C30 | C31 | N32 | H33 | 120.0° | 119.8° |
| C30 | C31 | N32 | H32 | 120.1° | 119.9° |
| C30 | C31 | N32 | C34 | 114.1° | 126.4° |
| C31 | C30 | H30 | H31 | 120.6° | 120.0° |
| C30 | C31 | H33 | H32 | 119.9° | 120.3° |
| C31 | N32 | C34 | O33 | 178.4° | 174.8° |
| C31 | N32 | C34 | C35 | 1.5° | 5.2° |
| C31 | N32 | C14 | H16 | 178.4° | 173.4° |
| C31 | N32 | C14 | H17 | 61.1° | 66.2° |
| N32 | C31 | C30 | H30 | 174.6° | 174.6° |
| N32 | C31 | C30 | H31 | 65.0° | 65.4° |
| N32 | C31 | H33 | H32 | 119.9° | 120.5° |
| N32 | C34 | O33 | C35 | 179.9° | 180.0° |
| N32 | C34 | C35 | C36 | 126.0° | 154.0° |
| N32 | C34 | C35 | C13 | 110.9° | 86.3° |
| C34 | N32 | C14 | H16 | 4.4° | 6.6° |
| C34 | N32 | C14 | H17 | 124.8° | 113.8° |
| C34 | N32 | C31 | H33 | 125.8° | 113.9° |
| C34 | N32 | C31 | H32 | 5.9° | 6.5° |
| N32 | C34 | C35 | H35 | 7.3° | 33.9° |
| C09 | C08 | C07 | H08 | 180.0° | 179.4° |
| C08 | C09 | C10 | H09 | 180.0° | 180.0° |
| C09 | C08 | C07 | C06 | 0.0° | 0.8° |
| C08 | C09 | C10 | C11 | 0.4° | 0.0° |
| C08 | C09 | C10 | H10 | 179.6° | 179.7° |
| C09 | C08 | C07 | H07 | 179.9° | 179.7° |
| C07 | C08 | C09 | C10 | 0.4° | 0.6° |
| C08 | C07 | C06 | H07 | 180.0° | 179.5° |
| C08 | C07 | C06 | C11 | 0.4° | 0.5° |
| C07 | C08 | C09 | H09 | 179.7° | 179.4° |
| C08 | C07 | C06 | H06 | 179.6° | 180.0° |
| O33 | C34 | C35 | C36 | 53.9° | 26.0° |
| O33 | C34 | C35 | C13 | 69.2° | 93.6° |
| O33 | C34 | C35 | H35 | 172.6° | 146.1° |
| C34 | C35 | C36 | C11 | 54.4° | 62.5° |
| C34 | C35 | C36 | C13 | 122.6° | 119.9° |
| C34 | C35 | C36 | H35 | 118.7° | 120.2° |
| C34 | C35 | C13 | H35 | 118.1° | 120.2° |
| C34 | C35 | C36 | C37 | 177.2° | 177.6° |
| C34 | C35 | C13 | C12 | 176.9° | 177.6° |
| C34 | C35 | C36 | H36 | 65.8° | 57.6° |
| C34 | C35 | C13 | H14 | 63.7° | 62.5° |
| C34 | C35 | C13 | H15 | 57.5° | 57.6° |
| C09 | C10 | C11 | H10 | 180.0° | 179.7° |
| C09 | C10 | C11 | C06 | 0.0° | 0.3° |
| C09 | C10 | C11 | C36 | 179.3° | 179.7° |
| C10 | C09 | C08 | H08 | 179.6° | 180.0° |
| C07 | C06 | C11 | C10 | 0.4° | 0.0° |
| C07 | C06 | C11 | H06 | 180.0° | 179.5° |
| C07 | C06 | C11 | C36 | 179.7° | 180.0° |
| C06 | C07 | C08 | H08 | 180.0° | 179.8° |
| C10 | C11 | C06 | C36 | 179.3° | 180.0° |
| C10 | C11 | C36 | C35 | 111.3° | 120.2° |
| C10 | C11 | C36 | C37 | 127.3° | 120.0° |
| C11 | C10 | C09 | H09 | 179.7° | 180.0° |
| C10 | C11 | C36 | H36 | 7.8° | 0.1° |
| C10 | C11 | C06 | H06 | 179.6° | 179.4° |
| C06 | C11 | C36 | C35 | 68.0° | 59.8° |
| C06 | C11 | C36 | C37 | 53.4° | 60.0° |
| C06 | C11 | C10 | H10 | 180.0° | 180.0° |
| C11 | C06 | C07 | H07 | 179.6° | 180.0° |
| C06 | C11 | C36 | H36 | 172.8° | 179.9° |
| C11 | C36 | C35 | C37 | 122.8° | 120.0° |
| C11 | C36 | C35 | H36 | 120.2° | 120.1° |
| C11 | C36 | C35 | C13 | 177.1° | 177.6° |
| C11 | C36 | C37 | H36 | 120.7° | 120.1° |
| C11 | C36 | C37 | N38 | 179.3° | 179.1° |
| C36 | C11 | C10 | H10 | 0.7° | 0.0° |
| C11 | C36 | C37 | H38 | 60.7° | 59.1° |
| C11 | C36 | C37 | H37 | 59.3° | 60.9° |
| C11 | C36 | C35 | H35 | 64.3° | 57.7° |
| C36 | C11 | C06 | H06 | 0.3° | 0.6° |
| C36 | C35 | C13 | H35 | 118.4° | 119.8° |
| C35 | C36 | C37 | H36 | 117.2° | 119.9° |
| C36 | C35 | C13 | C12 | 59.6° | 57.6° |
| C35 | C36 | C37 | N38 | 58.6° | 59.2° |
| C35 | C36 | C37 | H38 | 61.4° | 60.8° |
| C35 | C36 | C37 | H37 | 178.6° | 179.2° |
| C36 | C35 | C13 | H14 | 59.8° | 177.5° |
| C36 | C35 | C13 | H15 | 179.1° | 62.3° |
| C13 | C35 | C36 | C37 | 60.2° | 57.6° |
| C35 | C13 | C12 | H14 | 119.4° | 119.9° |
| C35 | C13 | C12 | H15 | 119.5° | 120.0° |
| C35 | C13 | C12 | N38 | 61.4° | 59.2° |
| C35 | C13 | C12 | H12 | 178.2° | 179.2° |
| C35 | C13 | C12 | H13 | 59.0° | 60.8° |
| C13 | C35 | C36 | H36 | 56.8° | 62.3° |
| C35 | C13 | H14 | H15 | 121.7° | 120.1° |
| C36 | C37 | N38 | H38 | 120.0° | 120.0° |
| C36 | C37 | N38 | H37 | 120.0° | 120.0° |
| C36 | C37 | N38 | C12 | 59.3° | 61.7° |
| C36 | C37 | N38 | C39 | 179.7° | 174.1° |
| C36 | C37 | H38 | H37 | 120.0° | 120.0° |
| C37 | C36 | C35 | H35 | 58.5° | 62.3° |
| C13 | C12 | N38 | C37 | 62.4° | 61.7° |
| C13 | C12 | N38 | H12 | 120.4° | 120.0° |
| C13 | C12 | N38 | H13 | 120.4° | 120.0° |
| C13 | C12 | N38 | C39 | 176.2° | 174.2° |
| C13 | C12 | H12 | H13 | 118.8° | 119.9° |
| C12 | C13 | C35 | H35 | 58.8° | 62.2° |
| C12 | C13 | H14 | H15 | 121.6° | 120.1° |
| C37 | N38 | C12 | C39 | 121.4° | 124.1° |
| C37 | N38 | C39 | C42 | 158.3° | 169.8° |
| C37 | N38 | C12 | H12 | 177.2° | 178.2° |
| C37 | N38 | C12 | H13 | 58.0° | 58.3° |
| N38 | C37 | C36 | H36 | 58.6° | 60.8° |
| N38 | C37 | H38 | H37 | 119.9° | 120.0° |
| C37 | N38 | C39 | H39 | 81.6° | 49.7° |
| C37 | N38 | C39 | H4A | 38.2° | 70.2° |
| C12 | N38 | C39 | C42 | 81.6° | 66.0° |
| N38 | C12 | H12 | H13 | 118.8° | 120.0° |
| C12 | N38 | C37 | H38 | 60.7° | 58.3° |
| C12 | N38 | C37 | H37 | 179.3° | 178.2° |
| C12 | N38 | C39 | H39 | 38.5° | 173.9° |
| C12 | N38 | C39 | H4A | 158.4° | 53.9° |
| N38 | C12 | C13 | H14 | 58.0° | 179.1° |
| N38 | C12 | C13 | H15 | 179.1° | 60.8° |
| N38 | C39 | C42 | H39 | 120.1° | 120.0° |
| N38 | C39 | C42 | H4A | 120.1° | 120.0° |
| N38 | C39 | C42 | S43 | 109.8° | 90.0° |
| N38 | C39 | C42 | N41 | 69.3° | 90.3° |
| C39 | N38 | C12 | H12 | 55.8° | 54.2° |
| C39 | N38 | C12 | H13 | 63.4° | 65.8° |
| C39 | N38 | C37 | H38 | 59.7° | 65.9° |
| C39 | N38 | C37 | H37 | 60.3° | 54.1° |
| N38 | C39 | H39 | H4A | 119.9° | 120.0° |
| C39 | C42 | S43 | N41 | 179.2° | 179.8° |
| C39 | C42 | S43 | C44 | 179.7° | 179.9° |
| C39 | C42 | N41 | C40 | 179.4° | 180.0° |
| C42 | C39 | H39 | H4A | 119.8° | 119.9° |
| S43 | C42 | N41 | C40 | 1.3° | 0.2° |
| C42 | S43 | C44 | C40 | 0.5° | 0.3° |
| C42 | S43 | C44 | C45 | 178.1° | 179.6° |
| S43 | C42 | C39 | H39 | 10.3° | 30.1° |
| S43 | C42 | C39 | H4A | 130.1° | 150.0° |
| N41 | C42 | S43 | C44 | 1.0° | 0.3° |
| C42 | N41 | C40 | C44 | 0.9° | 0.1° |
| N41 | C42 | C39 | H39 | 170.6° | 149.7° |
| N41 | C42 | C39 | H4A | 50.7° | 29.7° |
| C42 | N41 | C40 | H40 | 179.1° | 179.7° |
| S43 | C44 | C40 | N41 | 0.1° | 0.3° |
| S43 | C44 | C40 | C45 | 177.6° | 179.9° |
| S43 | C44 | C45 | C05 | 147.4° | 180.0° |
| S43 | C44 | C45 | C01 | 30.0° | 0.0° |
| S43 | C44 | C40 | H40 | 179.9° | 180.0° |
| N41 | C40 | C44 | H40 | 180.0° | 179.7° |
| N41 | C40 | C44 | C45 | 177.5° | 179.7° |
| C40 | C44 | C45 | C05 | 29.8° | 0.0° |
| C40 | C44 | C45 | C01 | 152.8° | 179.9° |
| C44 | C45 | C05 | C01 | 177.4° | 180.0° |
| C44 | C45 | C05 | C04 | 178.8° | 179.5° |
| C44 | C45 | C01 | C02 | 179.1° | 180.0° |
| C44 | C45 | C01 | H01 | 0.9° | 0.2° |
| C44 | C45 | C05 | H05 | 1.2° | 0.3° |
| C45 | C44 | C40 | H40 | 2.5° | 0.0° |
| C45 | C05 | C04 | H05 | 180.0° | 179.2° |
| C05 | C45 | C01 | C02 | 1.7° | 0.0° |
| C45 | C05 | C04 | N03 | 0.2° | 0.8° |
| C05 | C45 | C01 | H01 | 178.3° | 179.8° |
| C45 | C05 | C04 | H04 | 179.8° | 179.7° |
| C01 | C45 | C05 | C04 | 1.4° | 0.6° |
| C45 | C01 | C02 | H01 | 180.0° | 179.8° |
| C45 | C01 | C02 | N03 | 1.0° | 0.3° |
| C45 | C01 | C02 | H02 | 179.1° | 179.8° |
| C01 | C45 | C05 | H05 | 178.7° | 179.8° |
| C05 | C04 | N03 | H04 | 180.0° | 179.4° |
| C05 | C04 | N03 | C02 | 0.6° | 0.5° |
| C01 | C02 | N03 | C04 | 0.2° | 0.1° |
| C01 | C02 | N03 | H02 | 180.0° | 180.0° |
| C04 | N03 | C02 | H02 | 179.8° | 180.0° |
| N03 | C04 | C05 | H05 | 179.8° | 180.0° |
| N03 | C02 | C01 | H01 | 179.0° | 179.9° |
| C02 | N03 | C04 | H04 | 179.4° | 179.9° |
| H10 | C10 | C09 | H09 | 0.3° | 0.3° |
| H18 | C15 | C14 | H16 | 54.4° | 65.6° |
| H18 | C15 | C14 | H17 | 174.9° | 54.8° |
| H19 | C15 | C14 | H16 | 65.6° | 54.4° |
| H19 | C15 | C14 | H17 | 54.8° | 174.8° |
| H21 | C21 | C22 | H22 | 0.0° | 0.0° |
| H01 | C01 | C02 | H02 | 0.9° | 0.0° |
| H04 | C04 | C05 | H05 | 0.2° | 0.6° |
| H07 | C07 | C08 | H08 | 0.1° | 0.3° |
| H07 | C07 | C06 | H06 | 0.4° | 0.5° |
| H08 | C08 | C09 | H09 | 0.3° | 0.0° |
| H12 | C12 | C13 | H14 | 62.4° | 60.9° |
| H12 | C12 | C13 | H15 | 58.7° | 59.2° |
| H13 | C12 | C13 | H14 | 178.4° | 59.1° |
| H13 | C12 | C13 | H15 | 60.5° | 179.2° |
| H2C | C19 | H2A | H2B | 120.0° | 120.0° |
| H30 | C30 | C31 | H33 | 54.6° | 54.8° |
| H30 | C30 | C31 | H32 | 65.3° | 65.5° |
| H31 | C30 | C31 | H33 | 175.0° | 174.9° |
| H31 | C30 | C31 | H32 | 55.1° | 54.6° |
| H36 | C36 | C37 | H38 | 178.6° | 179.2° |
| H36 | C36 | C37 | H37 | 61.4° | 59.2° |
| H36 | C36 | C35 | H35 | 175.5° | 177.8° |
| H35 | C35 | C13 | H14 | 178.2° | 57.7° |
| H35 | C35 | C13 | H15 | 60.6° | 177.8° |
