O8D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C25 | C26 | doub | 1.31Å | 1.34Å | |
| C25 | C24 | sing | 1.51Å | 1.51Å | |
| C24 | C23 | sing | 1.53Å | 1.55Å | |
| C28 | C29 | sing | 1.53Å | 1.54Å | |
| C28 | C30 | sing | 1.53Å | 1.54Å | |
| C28 | C27 | sing | 1.53Å | 1.55Å | |
| C23 | C27 | sing | 1.53Å | 1.56Å | |
| C23 | C22 | sing | 1.51Å | 1.52Å | |
| C27 | O31 | sing | 1.45Å | 1.43Å | |
| O31 | C32 | sing | 1.34Å | 1.35Å | |
| C22 | C21 | doub | 1.32Å | 1.35Å | |
| C32 | C33 | sing | 1.51Å | 1.51Å | |
| C32 | O40 | doub | 1.21Å | 1.23Å | |
| C33 | C39 | sing | 1.54Å | 1.54Å | |
| C33 | N34 | sing | 1.47Å | 1.47Å | |
| C39 | C38 | sing | 1.54Å | 1.51Å | |
| C21 | C02 | sing | 1.47Å | 1.42Å | |
| O36 | C35 | doub | 1.22Å | 1.23Å | |
| C38 | C37 | sing | 1.53Å | 1.51Å | |
| N34 | C35 | sing | 1.34Å | 1.36Å | |
| N34 | C37 | sing | 1.46Å | 1.46Å | |
| C35 | C16 | sing | 1.47Å | 1.43Å | |
| C02 | N03 | sing | 1.36Å | 1.33Å | |
| C02 | O01 | doub | 1.22Å | 1.22Å | |
| N03 | C04 | sing | 1.48Å | 1.45Å | |
| C16 | C17 | doub | 1.36Å | 1.39Å | Aromatic |
| C16 | N15 | sing | 1.36Å | 1.32Å | Aromatic |
| C04 | C05 | sing | 1.51Å | 1.51Å | |
| C17 | O18 | sing | 1.35Å | 1.35Å | Aromatic |
| C05 | C06 | doub | 1.33Å | 1.34Å | |
| N15 | C14 | doub | 1.30Å | 1.30Å | Aromatic |
| O18 | C14 | sing | 1.34Å | 1.35Å | Aromatic |
| C06 | C07 | sing | 1.47Å | 1.45Å | |
| C08 | C07 | sing | 1.51Å | 1.51Å | |
| C14 | C13 | sing | 1.51Å | 1.50Å | |
| C07 | C09 | doub | 1.33Å | 1.35Å | |
| O19 | C12 | doub | 1.21Å | 1.23Å | |
| C13 | C12 | sing | 1.51Å | 1.52Å | |
| C12 | C11 | sing | 1.51Å | 1.52Å | |
| C09 | C10 | sing | 1.51Å | 1.51Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C10 | O20 | sing | 1.43Å | 1.40Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.08Å | 1.08Å | |
| C21 | H5 | sing | 1.08Å | 1.08Å | |
| C22 | H6 | sing | 1.08Å | 1.08Å | |
| C24 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C26 | H9 | sing | 1.08Å | 1.08Å | |
| C26 | H10 | sing | 1.08Å | 1.08Å | |
| C28 | H11 | sing | 1.09Å | 1.10Å | |
| N03 | H12 | sing | 0.97Å | 1.00Å | |
| C04 | H13 | sing | 1.09Å | 1.10Å | |
| C04 | H14 | sing | 1.09Å | 1.10Å | |
| C05 | H15 | sing | 1.08Å | 1.08Å | |
| C06 | H16 | sing | 1.08Å | 1.08Å | |
| C08 | H17 | sing | 1.09Å | 1.10Å | |
| C08 | H18 | sing | 1.09Å | 1.10Å | |
| C08 | H19 | sing | 1.09Å | 1.10Å | |
| C09 | H20 | sing | 1.08Å | 1.08Å | |
| C11 | H21 | sing | 1.09Å | 1.10Å | |
| C11 | H22 | sing | 1.09Å | 1.10Å | |
| O20 | H23 | sing | 0.97Å | 0.95Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C27 | H26 | sing | 1.09Å | 1.10Å | |
| C29 | H27 | sing | 1.09Å | 1.10Å | |
| C29 | H28 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H31 | sing | 1.09Å | 1.10Å | |
| C30 | H32 | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C37 | H34 | sing | 1.09Å | 1.10Å | |
| C37 | H35 | sing | 1.09Å | 1.10Å | |
| C38 | H36 | sing | 1.09Å | 1.10Å | |
| C38 | H37 | sing | 1.09Å | 1.10Å | |
| C39 | H38 | sing | 1.09Å | 1.10Å | |
| C39 | H39 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C26 | C25 | C24 | 124.2° | 120.0° |
| C25 | C26 | H9 | 120.0° | 120.0° |
| C25 | C26 | H10 | 120.0° | 120.0° |
| C26 | C25 | H25 | 117.9° | 120.0° |
| C25 | C24 | C23 | 114.3° | 109.5° |
| C25 | C24 | H7 | 108.2° | 109.5° |
| C25 | C24 | H8 | 108.3° | 109.5° |
| C24 | C25 | H25 | 117.9° | 120.0° |
| C24 | C23 | C27 | 113.1° | 109.6° |
| C24 | C23 | C22 | 111.6° | 109.6° |
| C23 | C24 | H7 | 108.3° | 109.4° |
| C23 | C24 | H8 | 108.2° | 109.5° |
| C24 | C23 | H24 | 106.6° | 109.6° |
| C29 | C28 | C30 | 109.0° | 109.5° |
| C29 | C28 | C27 | 109.5° | 109.4° |
| C29 | C28 | H11 | 108.1° | 109.5° |
| C28 | C29 | H27 | 109.5° | 109.5° |
| C28 | C29 | H28 | 109.5° | 109.5° |
| C28 | C29 | H29 | 109.5° | 109.5° |
| C30 | C28 | C27 | 114.0° | 109.5° |
| C30 | C28 | H11 | 108.1° | 109.5° |
| C28 | C30 | H30 | 109.5° | 109.5° |
| C28 | C30 | H31 | 109.5° | 109.5° |
| C28 | C30 | H32 | 109.5° | 109.5° |
| C28 | C27 | C23 | 116.2° | 109.4° |
| C28 | C27 | O31 | 111.7° | 109.3° |
| C27 | C28 | H11 | 108.0° | 109.5° |
| C28 | C27 | H26 | 106.5° | 109.3° |
| C27 | C23 | C22 | 111.6° | 108.9° |
| C23 | C27 | O31 | 107.5° | 110.1° |
| C27 | C23 | H24 | 106.5° | 109.6° |
| C23 | C27 | H26 | 106.4° | 109.3° |
| C23 | C22 | C21 | 124.9° | 120.7° |
| C23 | C22 | H6 | 117.6° | 119.5° |
| C22 | C23 | H24 | 106.9° | 109.7° |
| C27 | O31 | C32 | 121.0° | 116.3° |
| O31 | C27 | H26 | 108.0° | 109.4° |
| O31 | C32 | C33 | 110.7° | 121.3° |
| O31 | C32 | O40 | 125.7° | 119.4° |
| C22 | C21 | C02 | 123.8° | 119.7° |
| C22 | C21 | H5 | 118.1° | 120.7° |
| C21 | C22 | H6 | 117.5° | 119.7° |
| C33 | C32 | O40 | 123.6° | 119.3° |
| C32 | C33 | C39 | 111.8° | 109.3° |
| C32 | C33 | N34 | 117.0° | 109.4° |
| C32 | C33 | H33 | 107.9° | 110.0° |
| C39 | C33 | N34 | 103.9° | 107.5° |
| C33 | C39 | C38 | 104.5° | 105.2° |
| C39 | C33 | H33 | 107.5° | 109.9° |
| C33 | C39 | H38 | 110.7° | 110.3° |
| C33 | C39 | H39 | 110.7° | 110.3° |
| C33 | N34 | C35 | 123.0° | 125.2° |
| C33 | N34 | C37 | 110.2° | 109.1° |
| N34 | C33 | H33 | 108.4° | 110.7° |
| C39 | C38 | C37 | 101.9° | 105.7° |
| C39 | C38 | H36 | 111.3° | 110.2° |
| C39 | C38 | H37 | 111.3° | 110.3° |
| C38 | C39 | H38 | 110.7° | 110.2° |
| C38 | C39 | H39 | 110.7° | 110.3° |
| C21 | C02 | N03 | 113.9° | 119.7° |
| C21 | C02 | O01 | 122.2° | 120.2° |
| C02 | C21 | H5 | 118.1° | 119.5° |
| O36 | C35 | N34 | 123.1° | 118.2° |
| O36 | C35 | C16 | 119.8° | 118.3° |
| C38 | C37 | N34 | 104.5° | 108.8° |
| C38 | C37 | H34 | 110.7° | 109.6° |
| C38 | C37 | H35 | 110.7° | 109.5° |
| C37 | C38 | H36 | 111.3° | 110.2° |
| C37 | C38 | H37 | 111.4° | 110.2° |
| C35 | N34 | C37 | 126.4° | 125.8° |
| N34 | C35 | C16 | 117.1° | 123.5° |
| N34 | C37 | H34 | 110.7° | 109.6° |
| N34 | C37 | H35 | 110.7° | 109.7° |
| C35 | C16 | C17 | 126.2° | 128.6° |
| C35 | C16 | N15 | 124.5° | 124.2° |
| N03 | C02 | O01 | 123.7° | 120.2° |
| C02 | N03 | C04 | 125.0° | 116.5° |
| C02 | N03 | H12 | 117.5° | 121.8° |
| N03 | C04 | C05 | 113.1° | 107.2° |
| C04 | N03 | H12 | 117.5° | 121.7° |
| N03 | C04 | H13 | 108.6° | 109.8° |
| N03 | C04 | H14 | 108.6° | 109.9° |
| C17 | C16 | N15 | 109.1° | 107.1° |
| C16 | C17 | O18 | 107.7° | 107.1° |
| C16 | C17 | H4 | 126.1° | 126.4° |
| C16 | N15 | C14 | 105.1° | 108.3° |
| C04 | C05 | C06 | 124.3° | 120.5° |
| C05 | C04 | H13 | 108.5° | 109.9° |
| C05 | C04 | H14 | 108.5° | 109.9° |
| C04 | C05 | H15 | 117.9° | 119.8° |
| C17 | O18 | C14 | 103.0° | 107.9° |
| O18 | C17 | H4 | 126.1° | 126.5° |
| C05 | C06 | C07 | 124.7° | 119.4° |
| C06 | C05 | H15 | 117.9° | 119.7° |
| C05 | C06 | H16 | 117.7° | 120.3° |
| N15 | C14 | O18 | 114.6° | 109.5° |
| N15 | C14 | C13 | 126.2° | 124.8° |
| O18 | C14 | C13 | 119.0° | 125.7° |
| C06 | C07 | C08 | 119.7° | 120.1° |
| C06 | C07 | C09 | 117.6° | 119.9° |
| C07 | C06 | H16 | 117.7° | 120.3° |
| C08 | C07 | C09 | 122.3° | 119.9° |
| C07 | C08 | H17 | 109.5° | 109.5° |
| C07 | C08 | H18 | 109.5° | 109.5° |
| C07 | C08 | H19 | 109.5° | 109.5° |
| C14 | C13 | C12 | 112.6° | 109.0° |
| C14 | C13 | H2 | 108.7° | 109.5° |
| C14 | C13 | H3 | 108.7° | 109.7° |
| C07 | C09 | C10 | 128.7° | 119.8° |
| C07 | C09 | H20 | 115.7° | 119.6° |
| O19 | C12 | C13 | 122.0° | 120.3° |
| O19 | C12 | C11 | 121.7° | 120.3° |
| C13 | C12 | C11 | 116.3° | 119.4° |
| C12 | C13 | H2 | 108.7° | 109.5° |
| C12 | C13 | H3 | 108.7° | 109.5° |
| C12 | C11 | C10 | 114.5° | 109.7° |
| C12 | C11 | H21 | 108.2° | 109.5° |
| C12 | C11 | H22 | 108.2° | 109.3° |
| C09 | C10 | C11 | 112.4° | 109.2° |
| C09 | C10 | O20 | 106.4° | 109.5° |
| C09 | C10 | H1 | 110.3° | 109.5° |
| C10 | C09 | H20 | 115.6° | 120.6° |
| C11 | C10 | O20 | 105.2° | 109.5° |
| C11 | C10 | H1 | 110.3° | 109.5° |
| C10 | C11 | H21 | 108.2° | 109.5° |
| C10 | C11 | H22 | 108.2° | 109.4° |
| O20 | C10 | H1 | 112.1° | 109.5° |
| C10 | O20 | H23 | 109.5° | 114.0° |
| H2 | C13 | H3 | 109.5° | 109.6° |
| H7 | C24 | H8 | 109.5° | 109.4° |
| H9 | C26 | H10 | 120.0° | 120.0° |
| H13 | C04 | H14 | 109.5° | 109.9° |
| H17 | C08 | H18 | 109.5° | 109.5° |
| H17 | C08 | H19 | 109.5° | 109.5° |
| H18 | C08 | H19 | 109.5° | 109.4° |
| H21 | C11 | H22 | 109.5° | 109.4° |
| H27 | C29 | H28 | 109.5° | 109.4° |
| H27 | C29 | H29 | 109.4° | 109.5° |
| H28 | C29 | H29 | 109.5° | 109.5° |
| H30 | C30 | H31 | 109.5° | 109.5° |
| H30 | C30 | H32 | 109.4° | 109.4° |
| H31 | C30 | H32 | 109.5° | 109.5° |
| H34 | C37 | H35 | 109.5° | 109.6° |
| H36 | C38 | H37 | 109.5° | 110.2° |
| H38 | C39 | H39 | 109.4° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C26 | C25 | C24 | H25 | 180.0° | 180.0° |
| C26 | C25 | C24 | C23 | 116.2° | 125.0° |
| C26 | C25 | C24 | H7 | 123.0° | 5.0° |
| C26 | C25 | C24 | H8 | 4.5° | 115.0° |
| C25 | C26 | H9 | H10 | 180.0° | 179.9° |
| C25 | C24 | C23 | H7 | 120.7° | 120.0° |
| C25 | C24 | C23 | H8 | 120.7° | 120.1° |
| C25 | C24 | C23 | C27 | 179.9° | 175.0° |
| C25 | C24 | C23 | C22 | 53.0° | 65.6° |
| C25 | C24 | H7 | H8 | 117.8° | 120.0° |
| C24 | C25 | C26 | H9 | 0.0° | 0.0° |
| C24 | C25 | C26 | H10 | 180.0° | 180.0° |
| C25 | C24 | C23 | H24 | 63.4° | 54.8° |
| C24 | C23 | C27 | C28 | 62.8° | 127.5° |
| C24 | C23 | C27 | C22 | 126.9° | 119.9° |
| C24 | C23 | C27 | H24 | 116.8° | 120.2° |
| C24 | C23 | C22 | H24 | 116.2° | 120.3° |
| C24 | C23 | C27 | O31 | 63.1° | 112.4° |
| C24 | C23 | C22 | C21 | 173.0° | 96.0° |
| C24 | C23 | C22 | H6 | 7.0° | 86.5° |
| C23 | C24 | H7 | H8 | 117.8° | 120.0° |
| C23 | C24 | C25 | H25 | 63.8° | 55.0° |
| C24 | C23 | C27 | H26 | 178.7° | 7.8° |
| C29 | C28 | C30 | C27 | 122.7° | 120.0° |
| C29 | C28 | C30 | H11 | 117.3° | 120.0° |
| C29 | C28 | C27 | H11 | 117.5° | 120.0° |
| C29 | C28 | C27 | C23 | 78.9° | 65.7° |
| C29 | C28 | C27 | O31 | 157.2° | 173.7° |
| C29 | C28 | C27 | H26 | 39.5° | 54.0° |
| C28 | C29 | H27 | H28 | 120.0° | 120.0° |
| C28 | C29 | H27 | H29 | 120.0° | 120.1° |
| C28 | C29 | H28 | H29 | 120.0° | 120.1° |
| C29 | C28 | C30 | H30 | 180.0° | 91.6° |
| C29 | C28 | C30 | H31 | 60.0° | 148.4° |
| C29 | C28 | C30 | H32 | 60.0° | 28.4° |
| C30 | C28 | C27 | H11 | 120.1° | 120.0° |
| C30 | C28 | C27 | C23 | 158.7° | 54.3° |
| C30 | C28 | C27 | O31 | 34.8° | 66.3° |
| C30 | C28 | C27 | H26 | 82.9° | 174.0° |
| C30 | C28 | C29 | H27 | 180.0° | 16.1° |
| C30 | C28 | C29 | H28 | 60.0° | 136.1° |
| C30 | C28 | C29 | H29 | 60.0° | 103.9° |
| C28 | C30 | H30 | H31 | 120.0° | 120.0° |
| C28 | C30 | H30 | H32 | 120.0° | 120.0° |
| C28 | C30 | H31 | H32 | 120.0° | 120.0° |
| C28 | C27 | C23 | O31 | 126.0° | 120.2° |
| C28 | C27 | C23 | H26 | 118.5° | 119.7° |
| C28 | C27 | C23 | C22 | 170.3° | 7.6° |
| C28 | C27 | O31 | H26 | 116.9° | 119.7° |
| C28 | C27 | O31 | C32 | 114.9° | 41.1° |
| C28 | C27 | C23 | H24 | 54.0° | 112.3° |
| C27 | C28 | C29 | H27 | 54.7° | 136.1° |
| C27 | C28 | C29 | H28 | 174.7° | 104.0° |
| C27 | C28 | C29 | H29 | 65.3° | 16.1° |
| C27 | C28 | C30 | H30 | 57.3° | 28.4° |
| C27 | C28 | C30 | H31 | 62.7° | 91.7° |
| C27 | C28 | C30 | H32 | 177.3° | 148.3° |
| C27 | C23 | C22 | H24 | 116.1° | 119.9° |
| C23 | C27 | O31 | H26 | 114.5° | 120.1° |
| C23 | C27 | O31 | C32 | 116.5° | 161.3° |
| C27 | C23 | C22 | C21 | 45.3° | 144.1° |
| C27 | C23 | C22 | H6 | 134.6° | 33.3° |
| C27 | C23 | C24 | H7 | 59.4° | 65.0° |
| C27 | C23 | C24 | H8 | 59.1° | 55.0° |
| C23 | C27 | C28 | H11 | 38.5° | 174.3° |
| C22 | C23 | C27 | O31 | 63.7° | 127.8° |
| C23 | C22 | C21 | H6 | 180.0° | 177.4° |
| C23 | C22 | C21 | C02 | 172.7° | 173.9° |
| C23 | C22 | C21 | H5 | 7.3° | 6.4° |
| C22 | C23 | C24 | H7 | 173.7° | 54.4° |
| C22 | C23 | C24 | H8 | 67.7° | 174.4° |
| C22 | C23 | C27 | H26 | 51.8° | 112.1° |
| C27 | O31 | C32 | C33 | 176.9° | 178.0° |
| C27 | O31 | C32 | O40 | 1.6° | 2.0° |
| O31 | C27 | C28 | H11 | 85.3° | 53.7° |
| O31 | C27 | C23 | H24 | 180.0° | 7.8° |
| O31 | C32 | C33 | O40 | 178.5° | 179.9° |
| O31 | C32 | C33 | C39 | 71.0° | 112.2° |
| O31 | C32 | C33 | N34 | 169.5° | 130.3° |
| C32 | O31 | C27 | H26 | 2.0° | 78.6° |
| O31 | C32 | C33 | H33 | 47.1° | 8.6° |
| C22 | C21 | C02 | H5 | 180.0° | 179.8° |
| C22 | C21 | C02 | N03 | 42.6° | 178.7° |
| C22 | C21 | C02 | O01 | 141.4° | 1.2° |
| C21 | C22 | C23 | H24 | 70.8° | 24.3° |
| C32 | C33 | C39 | N34 | 127.0° | 118.6° |
| C32 | C33 | C39 | H33 | 118.2° | 120.8° |
| C32 | C33 | N34 | H33 | 122.1° | 121.4° |
| C32 | C33 | C39 | C38 | 152.0° | 98.8° |
| C32 | C33 | N34 | C35 | 60.1° | 79.1° |
| C32 | C33 | N34 | C37 | 125.9° | 101.0° |
| C32 | C33 | C39 | H38 | 88.8° | 142.4° |
| C32 | C33 | C39 | H39 | 32.8° | 20.2° |
| O40 | C32 | C33 | C39 | 107.5° | 67.8° |
| O40 | C32 | C33 | N34 | 12.0° | 49.6° |
| O40 | C32 | C33 | H33 | 134.4° | 171.4° |
| C39 | C33 | N34 | H33 | 114.1° | 120.1° |
| C33 | C39 | C38 | H38 | 119.2° | 118.9° |
| C33 | C39 | C38 | H39 | 119.2° | 118.9° |
| C33 | C39 | C38 | C37 | 37.5° | 14.6° |
| C39 | C33 | N34 | C35 | 176.2° | 162.4° |
| C39 | C33 | N34 | C37 | 2.1° | 17.6° |
| C33 | C39 | C38 | H36 | 81.3° | 104.4° |
| C33 | C39 | C38 | H37 | 156.3° | 133.7° |
| C33 | C39 | H38 | H39 | 122.3° | 122.1° |
| N34 | C33 | C39 | C38 | 25.0° | 19.9° |
| C33 | N34 | C35 | O36 | 10.4° | 16.6° |
| C33 | N34 | C37 | C38 | 21.5° | 8.1° |
| C33 | N34 | C35 | C37 | 173.1° | 180.0° |
| C33 | N34 | C35 | C16 | 168.7° | 163.6° |
| C33 | N34 | C37 | H34 | 140.7° | 111.7° |
| C33 | N34 | C37 | H35 | 97.8° | 127.9° |
| N34 | C33 | C39 | H38 | 144.2° | 99.0° |
| N34 | C33 | C39 | H39 | 94.3° | 138.8° |
| C39 | C38 | C37 | H36 | 118.8° | 119.0° |
| C39 | C38 | C37 | H37 | 118.8° | 119.2° |
| C39 | C38 | C37 | N34 | 36.1° | 4.5° |
| C38 | C39 | C33 | H33 | 89.8° | 140.4° |
| C39 | C38 | C37 | H34 | 155.3° | 124.4° |
| C39 | C38 | C37 | H35 | 83.1° | 115.3° |
| C39 | C38 | H36 | H37 | 123.5° | 121.9° |
| C38 | C39 | H38 | H39 | 122.3° | 122.1° |
| C21 | C02 | N03 | O01 | 175.9° | 179.9° |
| C21 | C02 | N03 | C04 | 179.8° | 162.2° |
| C02 | C21 | C22 | H6 | 7.3° | 3.6° |
| C21 | C02 | N03 | H12 | 0.2° | 17.8° |
| O36 | C35 | N34 | C16 | 179.1° | 179.8° |
| O36 | C35 | N34 | C37 | 162.7° | 163.4° |
| O36 | C35 | C16 | C17 | 34.8° | 158.1° |
| O36 | C35 | C16 | N15 | 138.7° | 25.9° |
| C38 | C37 | N34 | C35 | 152.3° | 171.8° |
| C38 | C37 | N34 | H34 | 119.2° | 119.9° |
| C38 | C37 | N34 | H35 | 119.2° | 119.7° |
| C38 | C37 | H34 | H35 | 122.3° | 120.2° |
| C37 | C38 | H36 | H37 | 123.6° | 121.8° |
| C37 | C38 | C39 | H38 | 156.7° | 104.3° |
| C37 | C38 | C39 | H39 | 81.7° | 133.5° |
| N34 | C35 | C16 | C17 | 146.1° | 21.7° |
| N34 | C35 | C16 | N15 | 40.5° | 154.2° |
| C35 | N34 | C33 | H33 | 62.0° | 42.3° |
| C35 | N34 | C37 | H34 | 33.1° | 68.3° |
| C35 | N34 | C37 | H35 | 88.4° | 52.1° |
| C37 | N34 | C35 | C16 | 18.3° | 16.5° |
| C37 | N34 | C33 | H33 | 112.0° | 137.7° |
| N34 | C37 | H34 | H35 | 122.3° | 120.4° |
| N34 | C37 | C38 | H36 | 82.7° | 114.5° |
| N34 | C37 | C38 | H37 | 154.9° | 123.7° |
| C35 | C16 | C17 | N15 | 174.3° | 176.5° |
| C35 | C16 | C17 | O18 | 179.9° | 175.1° |
| C35 | C16 | N15 | C14 | 179.1° | 173.9° |
| C35 | C16 | C17 | H4 | 0.1° | 5.0° |
| C02 | N03 | C04 | H12 | 180.0° | 180.0° |
| C02 | N03 | C04 | C05 | 127.7° | 86.6° |
| N03 | C02 | C21 | H5 | 137.4° | 1.0° |
| C02 | N03 | C04 | H13 | 111.8° | 32.9° |
| C02 | N03 | C04 | H14 | 7.2° | 154.0° |
| O01 | C02 | N03 | C04 | 3.9° | 17.9° |
| O01 | C02 | C21 | H5 | 38.6° | 179.0° |
| O01 | C02 | N03 | H12 | 176.1° | 162.1° |
| N03 | C04 | C05 | H13 | 120.5° | 119.4° |
| N03 | C04 | C05 | H14 | 120.6° | 119.5° |
| N03 | C04 | C05 | C06 | 115.8° | 107.7° |
| N03 | C04 | H13 | H14 | 118.4° | 121.1° |
| N03 | C04 | C05 | H15 | 64.2° | 72.2° |
| C16 | C17 | O18 | H4 | 180.0° | 179.9° |
| C17 | C16 | N15 | C14 | 6.5° | 2.8° |
| C16 | C17 | O18 | C14 | 2.5° | 0.4° |
| N15 | C16 | C17 | O18 | 5.8° | 1.4° |
| C16 | N15 | C14 | O18 | 5.2° | 3.2° |
| C16 | N15 | C14 | C13 | 170.1° | 177.7° |
| N15 | C16 | C17 | H4 | 174.2° | 178.5° |
| C04 | C05 | C06 | H15 | 180.0° | 179.9° |
| C04 | C05 | C06 | C07 | 169.4° | 177.7° |
| C05 | C04 | N03 | H12 | 52.3° | 93.4° |
| C05 | C04 | H13 | H14 | 118.3° | 121.2° |
| C04 | C05 | C06 | H16 | 10.6° | 1.6° |
| C17 | O18 | C14 | N15 | 1.6° | 2.3° |
| C17 | O18 | C14 | C13 | 174.1° | 178.6° |
| C05 | C06 | C07 | H16 | 180.0° | 179.3° |
| C05 | C06 | C07 | C08 | 20.4° | 4.8° |
| C05 | C06 | C07 | C09 | 166.4° | 176.2° |
| C06 | C05 | C04 | H13 | 123.7° | 11.7° |
| C06 | C05 | C04 | H14 | 4.8° | 132.8° |
| N15 | C14 | O18 | C13 | 175.7° | 179.1° |
| N15 | C14 | C13 | C12 | 54.5° | 54.4° |
| N15 | C14 | C13 | H2 | 66.0° | 174.2° |
| N15 | C14 | C13 | H3 | 175.0° | 65.5° |
| O18 | C14 | C13 | C12 | 120.6° | 126.6° |
| O18 | C14 | C13 | H2 | 118.9° | 6.8° |
| O18 | C14 | C13 | H3 | 0.2° | 113.5° |
| C14 | O18 | C17 | H4 | 177.5° | 179.7° |
| C06 | C07 | C08 | C09 | 172.8° | 179.0° |
| C06 | C07 | C09 | C10 | 178.7° | 179.6° |
| C07 | C06 | C05 | H15 | 10.6° | 2.2° |
| C06 | C07 | C08 | H17 | 180.0° | 25.0° |
| C06 | C07 | C08 | H18 | 60.0° | 145.0° |
| C06 | C07 | C08 | H19 | 60.0° | 95.0° |
| C06 | C07 | C09 | H20 | 1.3° | 0.6° |
| C08 | C07 | C09 | C10 | 5.7° | 1.4° |
| C08 | C07 | C06 | H16 | 159.6° | 175.9° |
| C07 | C08 | H17 | H18 | 120.0° | 120.0° |
| C07 | C08 | H17 | H19 | 120.0° | 120.0° |
| C07 | C08 | H18 | H19 | 120.0° | 120.0° |
| C08 | C07 | C09 | H20 | 174.3° | 179.7° |
| C14 | C13 | C12 | O19 | 30.5° | 80.5° |
| C14 | C13 | C12 | H2 | 120.5° | 119.8° |
| C14 | C13 | C12 | H3 | 120.5° | 120.0° |
| C14 | C13 | C12 | C11 | 147.9° | 99.5° |
| C14 | C13 | H2 | H3 | 118.5° | 120.4° |
| C07 | C09 | C10 | H20 | 180.0° | 178.9° |
| C07 | C09 | C10 | C11 | 125.2° | 81.4° |
| C07 | C09 | C10 | O20 | 120.2° | 38.5° |
| C07 | C09 | C10 | H1 | 1.7° | 158.7° |
| C09 | C07 | C06 | H16 | 13.6° | 3.1° |
| C09 | C07 | C08 | H17 | 7.2° | 156.0° |
| C09 | C07 | C08 | H18 | 127.2° | 36.0° |
| C09 | C07 | C08 | H19 | 112.8° | 84.0° |
| O19 | C12 | C13 | C11 | 178.3° | 179.9° |
| O19 | C12 | C11 | C10 | 31.1° | 36.3° |
| O19 | C12 | C13 | H2 | 151.0° | 39.3° |
| O19 | C12 | C13 | H3 | 90.0° | 159.5° |
| O19 | C12 | C11 | H21 | 151.8° | 156.4° |
| O19 | C12 | C11 | H22 | 89.7° | 83.7° |
| C13 | C12 | C11 | C10 | 147.3° | 143.6° |
| C12 | C13 | H2 | H3 | 118.6° | 120.2° |
| C13 | C12 | C11 | H21 | 26.6° | 23.5° |
| C13 | C12 | C11 | H22 | 92.0° | 96.4° |
| C12 | C11 | C10 | C09 | 73.7° | 100.6° |
| C12 | C11 | C10 | H21 | 120.7° | 120.2° |
| C12 | C11 | C10 | H22 | 120.8° | 119.9° |
| C12 | C11 | C10 | O20 | 171.0° | 139.4° |
| C12 | C11 | C10 | H1 | 49.9° | 19.3° |
| C11 | C12 | C13 | H2 | 27.4° | 140.6° |
| C11 | C12 | C13 | H3 | 91.7° | 20.4° |
| C12 | C11 | H21 | H22 | 117.7° | 119.8° |
| C09 | C10 | C11 | O20 | 115.4° | 120.0° |
| C09 | C10 | C11 | H1 | 123.6° | 119.9° |
| C09 | C10 | O20 | H1 | 120.7° | 120.2° |
| C09 | C10 | C11 | H21 | 47.1° | 139.3° |
| C09 | C10 | C11 | H22 | 165.6° | 19.4° |
| C09 | C10 | O20 | H23 | 180.0° | 60.3° |
| C11 | C10 | O20 | H1 | 119.8° | 120.1° |
| C11 | C10 | C09 | H20 | 54.8° | 97.5° |
| C10 | C11 | H21 | H22 | 117.7° | 119.9° |
| C11 | C10 | O20 | H23 | 60.6° | 180.0° |
| O20 | C10 | C09 | H20 | 59.8° | 142.5° |
| O20 | C10 | C11 | H21 | 68.3° | 19.3° |
| O20 | C10 | C11 | H22 | 50.2° | 100.6° |
| H1 | C10 | C09 | H20 | 178.3° | 22.4° |
| H1 | C10 | C11 | H21 | 170.6° | 100.8° |
| H1 | C10 | C11 | H22 | 70.8° | 139.3° |
| H1 | C10 | O20 | H23 | 59.3° | 59.9° |
| H5 | C21 | C22 | H6 | 172.7° | 176.2° |
| H6 | C22 | C23 | H24 | 109.2° | 153.2° |
| H7 | C24 | C23 | H24 | 57.3° | 174.8° |
| H7 | C24 | C25 | H25 | 57.0° | 175.0° |
| H8 | C24 | C23 | H24 | 175.9° | 65.2° |
| H8 | C24 | C25 | H25 | 175.5° | 65.0° |
| H9 | C26 | C25 | H25 | 180.0° | 180.0° |
| H10 | C26 | C25 | H25 | 0.0° | 0.0° |
| H11 | C28 | C27 | H26 | 156.9° | 66.0° |
| H11 | C28 | C29 | H27 | 62.7° | 103.9° |
| H11 | C28 | C29 | H28 | 57.3° | 16.1° |
| H11 | C28 | C29 | H29 | 177.3° | 136.1° |
| H11 | C28 | C30 | H30 | 62.7° | 148.4° |
| H11 | C28 | C30 | H31 | 177.3° | 28.3° |
| H11 | C28 | C30 | H32 | 57.3° | 91.7° |
| H12 | N03 | C04 | H13 | 68.2° | 147.1° |
| H12 | N03 | C04 | H14 | 172.8° | 26.1° |
| H13 | C04 | C05 | H15 | 56.3° | 168.4° |
| H14 | C04 | C05 | H15 | 175.2° | 47.2° |
| H15 | C05 | C06 | H16 | 169.4° | 178.4° |
| H17 | C08 | H18 | H19 | 120.0° | 120.0° |
| H24 | C23 | C27 | H26 | 64.5° | 128.0° |
| H27 | C29 | H28 | H29 | 120.0° | 120.0° |
| H30 | C30 | H31 | H32 | 120.0° | 120.0° |
| H33 | C33 | C39 | H38 | 29.5° | 21.5° |
| H33 | C33 | C39 | H39 | 151.0° | 100.7° |
| H34 | C37 | C38 | H36 | 36.5° | 5.3° |
| H34 | C37 | C38 | H37 | 85.9° | 116.5° |
| H35 | C37 | C38 | H36 | 158.1° | 125.6° |
| H35 | C37 | C38 | H37 | 35.6° | 3.8° |
| H36 | C38 | C39 | H38 | 38.0° | 136.7° |
| H36 | C38 | C39 | H39 | 159.5° | 14.5° |
| H37 | C38 | C39 | H38 | 84.5° | 14.8° |
| H37 | C38 | C39 | H39 | 37.1° | 107.4° |
