R1Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C09 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C12 | sing | 1.37Å | 1.40Å | Aromatic |
| C13 | C14 | doub | 1.40Å | 1.40Å | Aromatic |
| C15 | C20 | sing | 1.51Å | 1.58Å | |
| C15 | C07 | sing | 1.52Å | 1.62Å | |
| C15 | C16 | sing | 1.51Å | 1.54Å | |
| C15 | C54 | sing | 1.49Å | 1.45Å | |
| C20 | C21 | doub | 1.39Å | 1.44Å | Aromatic |
| C20 | C25 | sing | 1.39Å | 1.47Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.41Å | Aromatic |
| C22 | C23 | doub | 1.40Å | 1.47Å | Aromatic |
| C22 | C52 | sing | 1.50Å | 1.41Å | |
| C24 | C23 | sing | 1.40Å | 1.41Å | Aromatic |
| C24 | C25 | doub | 1.39Å | 1.45Å | Aromatic |
| C01 | C02 | sing | 1.53Å | 1.50Å | |
| C01 | C54 | sing | 1.52Å | 1.52Å | |
| C01 | C60 | sing | 1.54Å | 1.53Å | |
| C02 | N03 | sing | 1.48Å | 1.40Å | |
| C04 | C05 | sing | 1.52Å | 1.60Å | |
| C04 | N03 | sing | 1.42Å | 1.38Å | |
| C05 | C06 | sing | 1.51Å | 1.64Å | |
| C06 | C07 | doub | 1.34Å | 1.50Å | Aromatic |
| C06 | C14 | sing | 1.46Å | 1.41Å | Aromatic |
| C07 | N08 | sing | 1.40Å | 1.31Å | Aromatic |
| C09 | C14 | sing | 1.41Å | 1.42Å | Aromatic |
| C09 | N08 | sing | 1.36Å | 1.43Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.42Å | Aromatic |
| C16 | O17 | doub | 1.21Å | 1.18Å | |
| C16 | O18 | sing | 1.34Å | 1.41Å | |
| C19 | O18 | sing | 1.45Å | 1.41Å | |
| C23 | N28 | sing | 1.39Å | 1.61Å | |
| C25 | O26 | sing | 1.36Å | 1.41Å | |
| C27 | O26 | sing | 1.43Å | 1.41Å | |
| C29 | N28 | sing | 1.35Å | 1.46Å | |
| C29 | O30 | doub | 1.21Å | 1.18Å | |
| C31 | C32 | sing | 1.52Å | 1.65Å | |
| C31 | C52 | sing | 1.52Å | 1.67Å | |
| C31 | N28 | sing | 1.48Å | 1.34Å | |
| C32 | C34 | sing | 1.51Å | 1.61Å | |
| C32 | C38 | sing | 1.53Å | 1.36Å | |
| C32 | O33 | sing | 1.43Å | 1.41Å | |
| C34 | O35 | doub | 1.21Å | 1.18Å | |
| C34 | O36 | sing | 1.34Å | 1.42Å | |
| C37 | O36 | sing | 1.45Å | 1.42Å | |
| C38 | C43 | sing | 1.53Å | 1.46Å | |
| C38 | O39 | sing | 1.45Å | 1.57Å | |
| C40 | C41 | sing | 1.51Å | 1.54Å | |
| C40 | O39 | sing | 1.34Å | 1.42Å | |
| C40 | O42 | doub | 1.21Å | 1.18Å | |
| C43 | C44 | sing | 1.53Å | 1.55Å | |
| C43 | C46 | sing | 1.50Å | 1.53Å | |
| C43 | C53 | sing | 1.49Å | 1.52Å | |
| C44 | C45 | sing | 1.53Å | 1.55Å | |
| C46 | C47 | doub | 1.30Å | 1.39Å | |
| C47 | C48 | sing | 1.50Å | 1.55Å | |
| C48 | N49 | sing | 1.47Å | 1.32Å | |
| C50 | C51 | sing | 1.55Å | 1.60Å | |
| C50 | N49 | sing | 1.49Å | 1.34Å | |
| C51 | C52 | sing | 1.56Å | 1.30Å | |
| C52 | C53 | sing | 1.50Å | 1.59Å | |
| C53 | N49 | sing | 1.46Å | 1.42Å | |
| C55 | C56 | sing | 1.54Å | 1.55Å | |
| C55 | N03 | sing | 1.48Å | 1.54Å | |
| C56 | C58 | sing | 1.53Å | 1.55Å | |
| C56 | C60 | sing | 1.52Å | 1.53Å | |
| C56 | O57 | sing | 1.43Å | 1.41Å | |
| C58 | C59 | sing | 1.53Å | 1.56Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C21 | H3 | sing | 1.08Å | 1.08Å | |
| C24 | H4 | sing | 1.08Å | 1.08Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C02 | H6 | sing | 1.09Å | 1.10Å | |
| C02 | H7 | sing | 1.09Å | 1.10Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| C04 | H9 | sing | 1.09Å | 1.10Å | |
| C05 | H10 | sing | 1.09Å | 1.10Å | |
| C05 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.08Å | 1.08Å | |
| C12 | H13 | sing | 1.08Å | 1.08Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C27 | H17 | sing | 1.09Å | 1.10Å | |
| C27 | H18 | sing | 1.09Å | 1.10Å | |
| C27 | H19 | sing | 1.09Å | 1.10Å | |
| C29 | H20 | sing | 1.08Å | 1.08Å | |
| C31 | H21 | sing | 1.09Å | 1.10Å | |
| C37 | H22 | sing | 1.09Å | 1.10Å | |
| C37 | H23 | sing | 1.09Å | 1.10Å | |
| C37 | H24 | sing | 1.09Å | 1.10Å | |
| C38 | H25 | sing | 1.09Å | 1.10Å | |
| C41 | H26 | sing | 1.09Å | 1.10Å | |
| C41 | H27 | sing | 1.09Å | 1.10Å | |
| C41 | H28 | sing | 1.09Å | 1.10Å | |
| C44 | H29 | sing | 1.09Å | 1.10Å | |
| C44 | H30 | sing | 1.09Å | 1.10Å | |
| C45 | H31 | sing | 1.09Å | 1.10Å | |
| C45 | H32 | sing | 1.09Å | 1.10Å | |
| C45 | H33 | sing | 1.09Å | 1.10Å | |
| C46 | H34 | sing | 1.08Å | 1.08Å | |
| C47 | H35 | sing | 1.08Å | 1.08Å | |
| C48 | H36 | sing | 1.09Å | 1.10Å | |
| C48 | H37 | sing | 1.09Å | 1.10Å | |
| C50 | H38 | sing | 1.09Å | 1.10Å | |
| C50 | H39 | sing | 1.09Å | 1.10Å | |
| C51 | H40 | sing | 1.09Å | 1.10Å | |
| C51 | H41 | sing | 1.09Å | 1.10Å | |
| C53 | H42 | sing | 1.09Å | 1.10Å | |
| C54 | H43 | sing | 1.09Å | 1.10Å | |
| C54 | H44 | sing | 1.09Å | 1.10Å | |
| C55 | H45 | sing | 1.09Å | 1.10Å | |
| C55 | H46 | sing | 1.09Å | 1.10Å | |
| C58 | H47 | sing | 1.09Å | 1.10Å | |
| C58 | H48 | sing | 1.09Å | 1.10Å | |
| C59 | H49 | sing | 1.09Å | 1.10Å | |
| C59 | H50 | sing | 1.09Å | 1.10Å | |
| C59 | H51 | sing | 1.09Å | 1.10Å | |
| C60 | H52 | sing | 1.09Å | 1.10Å | |
| C60 | H53 | sing | 1.09Å | 1.10Å | |
| N08 | H55 | sing | 0.97Å | 1.00Å | |
| O33 | H57 | sing | 0.97Å | 0.95Å | |
| O57 | H58 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C09 | C10 | C11 | 118.9° | 116.8° |
| C10 | C09 | C14 | 120.8° | 120.4° |
| C10 | C09 | N08 | 130.7° | 132.8° |
| C09 | C10 | H1 | 120.6° | 121.6° |
| C10 | C11 | C12 | 120.2° | 122.4° |
| C11 | C10 | H1 | 120.5° | 121.6° |
| C10 | C11 | H12 | 119.9° | 118.8° |
| C12 | C13 | C14 | 118.8° | 116.6° |
| C13 | C12 | C11 | 120.8° | 122.0° |
| C12 | C13 | H2 | 120.6° | 121.7° |
| C13 | C12 | H13 | 119.6° | 119.0° |
| C13 | C14 | C06 | 135.6° | 132.2° |
| C13 | C14 | C09 | 120.5° | 121.7° |
| C14 | C13 | H2 | 120.6° | 121.7° |
| C20 | C15 | C07 | 106.6° | 108.5° |
| C20 | C15 | C16 | 111.3° | 108.4° |
| C20 | C15 | C54 | 110.6° | 108.4° |
| C15 | C20 | C21 | 117.7° | 119.3° |
| C15 | C20 | C25 | 123.6° | 119.3° |
| C07 | C15 | C16 | 108.1° | 108.5° |
| C07 | C15 | C54 | 114.2° | 114.5° |
| C15 | C07 | C06 | 125.6° | 136.0° |
| C15 | C07 | N08 | 130.7° | 116.4° |
| C16 | C15 | C54 | 106.2° | 108.4° |
| C15 | C16 | O17 | 119.9° | 120.0° |
| C15 | C16 | O18 | 119.5° | 120.1° |
| C15 | C54 | C01 | 119.1° | 115.9° |
| C15 | C54 | H43 | 107.0° | 108.2° |
| C15 | C54 | H44 | 107.0° | 108.2° |
| C21 | C20 | C25 | 118.8° | 121.4° |
| C20 | C21 | C22 | 121.3° | 117.0° |
| C20 | C21 | H3 | 119.3° | 121.5° |
| C20 | C25 | C24 | 120.1° | 121.7° |
| C20 | C25 | O26 | 120.3° | 119.1° |
| C21 | C22 | C23 | 119.8° | 122.1° |
| C21 | C22 | C52 | 132.2° | 129.6° |
| C22 | C21 | H3 | 119.3° | 121.5° |
| C23 | C22 | C52 | 108.0° | 108.2° |
| C22 | C23 | C24 | 120.2° | 120.4° |
| C22 | C23 | N28 | 105.0° | 111.1° |
| C22 | C52 | C31 | 104.3° | 104.8° |
| C22 | C52 | C51 | 111.3° | 108.2° |
| C22 | C52 | C53 | 109.8° | 112.5° |
| C23 | C24 | C25 | 119.8° | 117.2° |
| C24 | C23 | N28 | 134.8° | 128.4° |
| C23 | C24 | H4 | 120.1° | 121.4° |
| C24 | C25 | O26 | 119.6° | 119.2° |
| C25 | C24 | H4 | 120.1° | 121.4° |
| C02 | C01 | C54 | 114.7° | 108.2° |
| C02 | C01 | C60 | 112.0° | 106.9° |
| C01 | C02 | N03 | 106.7° | 99.4° |
| C02 | C01 | H5 | 108.3° | 110.3° |
| C01 | C02 | H6 | 110.2° | 111.4° |
| C01 | C02 | H7 | 110.1° | 111.4° |
| C54 | C01 | C60 | 105.7° | 109.8° |
| C54 | C01 | H5 | 108.0° | 110.3° |
| C01 | C54 | H43 | 107.0° | 108.2° |
| C01 | C54 | H44 | 107.0° | 108.2° |
| C01 | C60 | C56 | 111.3° | 112.3° |
| C60 | C01 | H5 | 107.9° | 111.2° |
| C01 | C60 | H52 | 109.0° | 108.9° |
| C01 | C60 | H53 | 109.0° | 108.9° |
| C02 | N03 | C04 | 116.2° | 120.0° |
| C02 | N03 | C55 | 117.8° | 107.9° |
| N03 | C02 | H6 | 110.2° | 111.4° |
| N03 | C02 | H7 | 110.2° | 111.4° |
| C05 | C04 | N03 | 110.3° | 112.1° |
| C04 | C05 | C06 | 114.1° | 109.8° |
| C05 | C04 | H8 | 109.3° | 108.9° |
| C05 | C04 | H9 | 109.3° | 109.0° |
| C04 | C05 | H10 | 108.3° | 109.4° |
| C04 | C05 | H11 | 108.3° | 109.5° |
| C04 | N03 | C55 | 125.4° | 116.8° |
| N03 | C04 | H8 | 109.2° | 109.0° |
| N03 | C04 | H9 | 109.2° | 109.0° |
| C05 | C06 | C07 | 137.7° | 128.2° |
| C05 | C06 | C14 | 111.2° | 123.3° |
| C06 | C05 | H10 | 108.3° | 109.4° |
| C06 | C05 | H11 | 108.3° | 109.4° |
| C07 | C06 | C14 | 111.1° | 108.4° |
| C06 | C07 | N08 | 103.7° | 107.6° |
| C06 | C14 | C09 | 103.9° | 106.0° |
| C07 | N08 | C09 | 112.9° | 111.2° |
| C07 | N08 | H55 | 123.5° | 124.4° |
| C14 | C09 | N08 | 108.4° | 106.7° |
| C09 | N08 | H55 | 123.5° | 124.4° |
| C12 | C11 | H12 | 119.9° | 118.8° |
| C11 | C12 | H13 | 119.6° | 119.0° |
| O17 | C16 | O18 | 120.6° | 119.9° |
| C16 | O18 | C19 | 114.4° | 117.1° |
| O18 | C19 | H14 | 109.5° | 109.5° |
| O18 | C19 | H15 | 109.5° | 109.4° |
| O18 | C19 | H16 | 109.5° | 109.5° |
| C23 | N28 | C29 | 128.3° | 125.5° |
| C23 | N28 | C31 | 105.2° | 108.9° |
| C25 | O26 | C27 | 111.6° | 117.0° |
| O26 | C27 | H17 | 109.5° | 109.5° |
| O26 | C27 | H18 | 109.4° | 109.4° |
| O26 | C27 | H19 | 109.5° | 109.4° |
| N28 | C29 | O30 | 119.1° | 120.0° |
| C29 | N28 | C31 | 126.5° | 125.6° |
| N28 | C29 | H20 | 120.4° | 120.0° |
| O30 | C29 | H20 | 120.5° | 120.0° |
| C32 | C31 | C52 | 111.9° | 113.1° |
| C32 | C31 | N28 | 110.3° | 108.1° |
| C31 | C32 | C34 | 109.0° | 109.5° |
| C31 | C32 | C38 | 111.9° | 109.1° |
| C31 | C32 | O33 | 108.8° | 109.5° |
| C32 | C31 | H21 | 109.7° | 110.0° |
| C52 | C31 | N28 | 100.9° | 104.8° |
| C31 | C52 | C51 | 112.1° | 108.7° |
| C31 | C52 | C53 | 112.1° | 117.7° |
| C52 | C31 | H21 | 109.4° | 110.0° |
| N28 | C31 | H21 | 114.4° | 110.8° |
| C34 | C32 | C38 | 107.8° | 109.5° |
| C34 | C32 | O33 | 106.3° | 109.5° |
| C32 | C34 | O35 | 120.1° | 120.0° |
| C32 | C34 | O36 | 120.3° | 120.0° |
| C38 | C32 | O33 | 112.9° | 109.6° |
| C32 | C38 | C43 | 116.5° | 107.7° |
| C32 | C38 | O39 | 113.5° | 109.8° |
| C32 | C38 | H25 | 106.1° | 109.8° |
| C32 | O33 | H57 | 109.5° | 114.1° |
| O35 | C34 | O36 | 119.6° | 120.0° |
| C34 | O36 | C37 | 113.5° | 117.0° |
| O36 | C37 | H22 | 109.5° | 109.5° |
| O36 | C37 | H23 | 109.5° | 109.5° |
| O36 | C37 | H24 | 109.5° | 109.5° |
| C43 | C38 | O39 | 110.6° | 109.8° |
| C38 | C43 | C44 | 108.3° | 107.0° |
| C38 | C43 | C46 | 112.3° | 109.4° |
| C38 | C43 | C53 | 110.7° | 112.1° |
| C43 | C38 | H25 | 104.9° | 109.9° |
| C38 | O39 | C40 | 112.8° | 117.0° |
| O39 | C38 | H25 | 103.9° | 109.8° |
| C41 | C40 | O39 | 121.2° | 120.0° |
| C41 | C40 | O42 | 118.8° | 120.0° |
| C40 | C41 | H26 | 109.5° | 109.5° |
| C40 | C41 | H27 | 109.5° | 109.5° |
| C40 | C41 | H28 | 109.5° | 109.5° |
| O39 | C40 | O42 | 120.1° | 120.0° |
| C44 | C43 | C46 | 104.3° | 107.1° |
| C44 | C43 | C53 | 107.1° | 106.7° |
| C43 | C44 | C45 | 112.3° | 109.5° |
| C43 | C44 | H29 | 108.8° | 109.5° |
| C43 | C44 | H30 | 108.8° | 109.4° |
| C46 | C43 | C53 | 113.8° | 114.1° |
| C43 | C46 | C47 | 119.2° | 122.8° |
| C43 | C46 | H34 | 120.4° | 118.6° |
| C43 | C53 | C52 | 113.4° | 121.4° |
| C43 | C53 | N49 | 113.2° | 116.9° |
| C43 | C53 | H42 | 107.6° | 102.3° |
| C45 | C44 | H29 | 108.8° | 109.5° |
| C45 | C44 | H30 | 108.8° | 109.5° |
| C44 | C45 | H31 | 109.5° | 109.5° |
| C44 | C45 | H32 | 109.5° | 109.4° |
| C44 | C45 | H33 | 109.5° | 109.5° |
| C46 | C47 | C48 | 118.9° | 122.1° |
| C47 | C46 | H34 | 120.4° | 118.6° |
| C46 | C47 | H35 | 120.5° | 119.0° |
| C47 | C48 | N49 | 112.3° | 111.0° |
| C48 | C47 | H35 | 120.6° | 119.0° |
| C47 | C48 | H36 | 108.8° | 109.2° |
| C47 | C48 | H37 | 108.8° | 109.2° |
| C48 | N49 | C50 | 81.6° | 108.5° |
| C48 | N49 | C53 | 114.5° | 112.7° |
| N49 | C48 | H36 | 108.8° | 109.1° |
| N49 | C48 | H37 | 108.8° | 109.2° |
| C51 | C50 | N49 | 109.6° | 104.1° |
| C50 | C51 | C52 | 105.5° | 103.1° |
| C51 | C50 | H38 | 109.5° | 110.5° |
| C51 | C50 | H39 | 109.4° | 110.5° |
| C50 | C51 | H40 | 110.4° | 110.7° |
| C50 | C51 | H41 | 110.4° | 110.7° |
| C50 | N49 | C53 | 105.6° | 105.3° |
| N49 | C50 | H38 | 109.4° | 110.5° |
| N49 | C50 | H39 | 109.4° | 110.5° |
| C51 | C52 | C53 | 107.3° | 104.6° |
| C52 | C51 | H40 | 110.5° | 110.7° |
| C52 | C51 | H41 | 110.4° | 110.7° |
| C52 | C53 | N49 | 106.7° | 110.1° |
| C52 | C53 | H42 | 106.8° | 101.7° |
| N49 | C53 | H42 | 109.0° | 100.4° |
| C56 | C55 | N03 | 109.6° | 104.5° |
| C55 | C56 | C58 | 108.0° | 109.2° |
| C55 | C56 | C60 | 115.5° | 110.5° |
| C55 | C56 | O57 | 108.2° | 109.3° |
| C56 | C55 | H45 | 109.4° | 110.5° |
| C56 | C55 | H46 | 109.5° | 110.4° |
| N03 | C55 | H45 | 109.4° | 110.4° |
| N03 | C55 | H46 | 109.4° | 110.4° |
| C58 | C56 | C60 | 107.9° | 109.2° |
| C58 | C56 | O57 | 106.0° | 109.3° |
| C56 | C58 | C59 | 109.1° | 109.4° |
| C56 | C58 | H47 | 109.5° | 109.4° |
| C56 | C58 | H48 | 109.6° | 109.5° |
| C60 | C56 | O57 | 110.9° | 109.3° |
| C56 | C60 | H52 | 109.0° | 108.9° |
| C56 | C60 | H53 | 109.0° | 108.9° |
| C56 | O57 | H58 | 109.5° | 114.0° |
| C59 | C58 | H47 | 109.6° | 109.5° |
| C59 | C58 | H48 | 109.6° | 109.5° |
| C58 | C59 | H49 | 109.5° | 109.5° |
| C58 | C59 | H50 | 109.5° | 109.5° |
| C58 | C59 | H51 | 109.5° | 109.5° |
| H6 | C02 | H7 | 109.5° | 111.2° |
| H8 | C04 | H9 | 109.5° | 108.8° |
| H10 | C05 | H11 | 109.5° | 109.3° |
| H14 | C19 | H15 | 109.4° | 109.5° |
| H14 | C19 | H16 | 109.5° | 109.5° |
| H15 | C19 | H16 | 109.5° | 109.4° |
| H17 | C27 | H18 | 109.5° | 109.5° |
| H17 | C27 | H19 | 109.5° | 109.5° |
| H18 | C27 | H19 | 109.5° | 109.4° |
| H22 | C37 | H23 | 109.5° | 109.4° |
| H22 | C37 | H24 | 109.5° | 109.5° |
| H23 | C37 | H24 | 109.5° | 109.5° |
| H26 | C41 | H27 | 109.5° | 109.4° |
| H26 | C41 | H28 | 109.5° | 109.5° |
| H27 | C41 | H28 | 109.5° | 109.4° |
| H29 | C44 | H30 | 109.5° | 109.5° |
| H31 | C45 | H32 | 109.5° | 109.5° |
| H31 | C45 | H33 | 109.4° | 109.5° |
| H32 | C45 | H33 | 109.5° | 109.5° |
| H36 | C48 | H37 | 109.4° | 109.1° |
| H38 | C50 | H39 | 109.5° | 110.6° |
| H40 | C51 | H41 | 109.5° | 110.7° |
| H43 | C54 | H44 | 109.4° | 108.0° |
| H45 | C55 | H46 | 109.5° | 110.5° |
| H47 | C58 | H48 | 109.5° | 109.5° |
| H49 | C59 | H50 | 109.5° | 109.5° |
| H49 | C59 | H51 | 109.4° | 109.4° |
| H50 | C59 | H51 | 109.4° | 109.5° |
| H52 | C60 | H53 | 109.5° | 108.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C09 | C10 | C11 | H1 | 180.0° | 179.8° |
| C10 | C09 | C14 | C13 | 0.1° | 0.1° |
| C10 | C09 | C14 | C06 | 179.9° | 180.0° |
| C10 | C09 | N08 | C07 | 179.9° | 179.4° |
| C10 | C09 | C14 | N08 | 179.2° | 180.0° |
| C09 | C10 | C11 | C12 | 0.2° | 0.0° |
| C09 | C10 | C11 | H12 | 179.8° | 180.0° |
| C10 | C09 | N08 | H55 | 0.2° | 0.6° |
| C10 | C11 | C12 | C13 | 0.4° | 0.1° |
| C11 | C10 | C09 | C14 | 0.0° | 0.0° |
| C11 | C10 | C09 | N08 | 179.1° | 180.0° |
| C10 | C11 | C12 | H12 | 180.0° | 180.0° |
| C10 | C11 | C12 | H13 | 179.7° | 180.0° |
| C12 | C13 | C14 | H2 | 180.0° | 180.0° |
| C12 | C13 | C14 | C06 | 180.0° | 179.9° |
| C12 | C13 | C14 | C09 | 0.1° | 0.1° |
| C13 | C12 | C11 | H13 | 180.0° | 179.9° |
| C13 | C12 | C11 | H12 | 179.7° | 180.0° |
| C13 | C14 | C06 | C05 | 0.4° | 0.7° |
| C13 | C14 | C06 | C07 | 179.6° | 179.4° |
| C13 | C14 | C06 | C09 | 180.0° | 179.9° |
| C13 | C14 | C09 | N08 | 179.3° | 179.9° |
| C14 | C13 | C12 | C11 | 0.3° | 0.0° |
| C14 | C13 | C12 | H13 | 179.7° | 179.9° |
| C20 | C15 | C07 | C16 | 119.7° | 117.5° |
| C20 | C15 | C07 | C54 | 122.4° | 121.3° |
| C20 | C15 | C16 | C54 | 120.4° | 117.5° |
| C15 | C20 | C21 | C25 | 179.8° | 179.7° |
| C15 | C20 | C21 | C22 | 179.8° | 180.0° |
| C15 | C20 | C25 | C24 | 179.9° | 178.8° |
| C20 | C15 | C54 | C01 | 23.2° | 51.4° |
| C20 | C15 | C07 | C06 | 127.7° | 159.9° |
| C20 | C15 | C07 | N08 | 51.7° | 20.2° |
| C20 | C15 | C16 | O17 | 54.4° | 120.0° |
| C20 | C15 | C16 | O18 | 125.5° | 60.0° |
| C15 | C20 | C25 | O26 | 0.8° | 1.0° |
| C15 | C20 | C21 | H3 | 0.2° | 0.1° |
| C20 | C15 | C54 | H43 | 144.6° | 173.0° |
| C20 | C15 | C54 | H44 | 98.2° | 70.3° |
| C07 | C15 | C16 | C54 | 122.9° | 124.9° |
| C07 | C15 | C20 | C21 | 4.6° | 129.1° |
| C07 | C15 | C20 | C25 | 175.2° | 50.6° |
| C07 | C15 | C54 | C01 | 96.9° | 69.9° |
| C15 | C07 | C06 | C05 | 1.8° | 1.2° |
| C15 | C07 | C06 | N08 | 179.5° | 180.0° |
| C15 | C07 | C06 | C14 | 179.5° | 179.0° |
| C15 | C07 | N08 | C09 | 179.0° | 179.0° |
| C07 | C15 | C16 | O17 | 62.3° | 122.4° |
| C07 | C15 | C16 | O18 | 117.9° | 57.6° |
| C07 | C15 | C54 | H43 | 24.5° | 51.7° |
| C07 | C15 | C54 | H44 | 141.7° | 168.4° |
| C15 | C07 | N08 | H55 | 1.0° | 1.0° |
| C16 | C15 | C20 | C21 | 122.2° | 11.5° |
| C16 | C15 | C20 | C25 | 57.7° | 168.2° |
| C16 | C15 | C54 | C01 | 144.1° | 168.8° |
| C16 | C15 | C07 | C06 | 112.6° | 82.6° |
| C16 | C15 | C07 | N08 | 68.0° | 97.3° |
| C15 | C16 | O17 | O18 | 179.8° | 179.9° |
| C15 | C16 | O18 | C19 | 159.0° | 180.0° |
| C16 | C15 | C54 | H43 | 94.5° | 69.5° |
| C16 | C15 | C54 | H44 | 22.7° | 47.2° |
| C54 | C15 | C20 | C21 | 120.0° | 106.0° |
| C54 | C15 | C20 | C25 | 60.2° | 74.4° |
| C15 | C54 | C01 | C02 | 84.4° | 76.5° |
| C15 | C54 | C01 | H43 | 121.4° | 121.6° |
| C15 | C54 | C01 | H44 | 121.3° | 121.6° |
| C15 | C54 | C01 | C60 | 151.7° | 167.1° |
| C54 | C15 | C07 | C06 | 5.3° | 38.6° |
| C54 | C15 | C07 | N08 | 174.1° | 141.5° |
| C54 | C15 | C16 | O17 | 174.8° | 2.6° |
| C54 | C15 | C16 | O18 | 5.0° | 177.5° |
| C15 | C54 | C01 | H5 | 36.4° | 44.2° |
| C15 | C54 | H43 | H44 | 115.6° | 116.8° |
| C20 | C21 | C22 | H3 | 180.0° | 179.9° |
| C20 | C21 | C22 | C23 | 0.1° | 1.9° |
| C20 | C21 | C22 | C52 | 177.2° | 174.9° |
| C21 | C20 | C25 | C24 | 0.2° | 1.6° |
| C21 | C20 | C25 | O26 | 179.4° | 178.7° |
| C25 | C20 | C21 | C22 | 0.4° | 0.3° |
| C20 | C25 | C24 | C23 | 0.2° | 0.5° |
| C20 | C25 | C24 | O26 | 179.1° | 179.8° |
| C20 | C25 | O26 | C27 | 104.6° | 180.0° |
| C25 | C20 | C21 | H3 | 179.6° | 179.8° |
| C20 | C25 | C24 | H4 | 179.8° | 179.7° |
| C21 | C22 | C23 | C52 | 177.7° | 177.4° |
| C21 | C22 | C23 | C24 | 0.4° | 2.9° |
| C21 | C22 | C23 | N28 | 179.2° | 174.1° |
| C21 | C22 | C52 | C31 | 156.9° | 176.0° |
| C21 | C22 | C52 | C51 | 82.0° | 60.2° |
| C21 | C22 | C52 | C53 | 36.6° | 54.9° |
| C22 | C23 | C24 | N28 | 178.4° | 176.5° |
| C22 | C23 | C24 | C25 | 0.5° | 1.6° |
| C22 | C23 | N28 | C29 | 149.2° | 165.1° |
| C23 | C22 | C52 | C31 | 20.4° | 1.2° |
| C22 | C23 | N28 | C31 | 28.6° | 15.0° |
| C23 | C22 | C52 | C51 | 100.6° | 117.0° |
| C23 | C22 | C52 | C53 | 140.8° | 128.0° |
| C23 | C22 | C21 | H3 | 179.9° | 178.0° |
| C22 | C23 | C24 | H4 | 179.5° | 178.1° |
| C52 | C22 | C23 | C24 | 177.4° | 174.5° |
| C52 | C22 | C23 | N28 | 1.4° | 8.5° |
| C22 | C52 | C31 | C32 | 78.2° | 126.9° |
| C22 | C52 | C31 | C51 | 120.5° | 115.5° |
| C22 | C52 | C31 | C53 | 118.8° | 125.9° |
| C22 | C52 | C31 | N28 | 39.1° | 9.4° |
| C22 | C52 | C53 | C43 | 98.8° | 101.1° |
| C22 | C52 | C51 | C50 | 121.7° | 99.1° |
| C22 | C52 | C51 | C53 | 120.1° | 120.2° |
| C22 | C52 | C53 | N49 | 136.0° | 117.0° |
| C52 | C22 | C21 | H3 | 2.8° | 5.2° |
| C22 | C52 | C31 | H21 | 160.0° | 109.7° |
| C22 | C52 | C51 | H40 | 119.0° | 142.5° |
| C22 | C52 | C51 | H41 | 2.3° | 19.3° |
| C22 | C52 | C53 | H42 | 19.5° | 11.2° |
| C23 | C24 | C25 | H4 | 180.0° | 179.8° |
| C23 | C24 | C25 | O26 | 178.9° | 179.7° |
| C24 | C23 | N28 | C29 | 32.3° | 11.7° |
| C24 | C23 | N28 | C31 | 149.9° | 168.3° |
| C25 | C24 | C23 | N28 | 178.9° | 174.9° |
| C24 | C25 | O26 | C27 | 76.3° | 0.2° |
| C02 | C01 | C54 | C60 | 123.9° | 116.4° |
| C02 | C01 | C54 | H5 | 120.8° | 120.8° |
| C02 | C01 | C60 | H5 | 119.0° | 120.5° |
| C01 | C02 | N03 | H6 | 119.6° | 117.5° |
| C01 | C02 | N03 | H7 | 119.5° | 117.6° |
| C01 | C02 | N03 | C04 | 126.5° | 141.1° |
| C01 | C02 | N03 | C55 | 61.7° | 81.6° |
| C02 | C01 | C60 | C56 | 54.8° | 56.4° |
| C01 | C02 | H6 | H7 | 121.2° | 125.0° |
| C02 | C01 | C54 | H43 | 37.0° | 45.1° |
| C02 | C01 | C54 | H44 | 154.2° | 161.8° |
| C02 | C01 | C60 | H52 | 175.1° | 177.1° |
| C02 | C01 | C60 | H53 | 65.5° | 64.4° |
| C54 | C01 | C60 | H5 | 115.4° | 122.3° |
| C54 | C01 | C02 | N03 | 57.7° | 49.7° |
| C54 | C01 | C60 | C56 | 70.8° | 60.8° |
| C54 | C01 | C02 | H6 | 177.2° | 167.2° |
| C54 | C01 | C02 | H7 | 61.9° | 67.9° |
| C01 | C54 | H43 | H44 | 115.7° | 116.9° |
| C54 | C01 | C60 | H52 | 49.5° | 59.9° |
| C54 | C01 | C60 | H53 | 168.9° | 178.5° |
| C60 | C01 | C02 | N03 | 62.8° | 68.6° |
| C01 | C60 | C56 | C55 | 42.7° | 48.4° |
| C01 | C60 | C56 | C58 | 163.5° | 168.6° |
| C01 | C60 | C56 | H52 | 120.3° | 120.7° |
| C01 | C60 | C56 | H53 | 120.2° | 120.7° |
| C01 | C60 | C56 | O57 | 80.9° | 71.9° |
| C60 | C01 | C02 | H6 | 56.7° | 49.0° |
| C60 | C01 | C02 | H7 | 177.6° | 173.9° |
| C60 | C01 | C54 | H43 | 86.9° | 71.3° |
| C60 | C01 | C54 | H44 | 30.4° | 45.4° |
| C01 | C60 | H52 | H53 | 119.2° | 118.6° |
| C02 | N03 | C04 | C05 | 96.4° | 85.7° |
| C02 | N03 | C04 | C55 | 171.1° | 133.7° |
| C02 | N03 | C55 | C56 | 49.7° | 74.1° |
| N03 | C02 | C01 | H5 | 178.4° | 170.4° |
| N03 | C02 | H6 | H7 | 121.3° | 124.9° |
| C02 | N03 | C04 | H8 | 23.7° | 34.9° |
| C02 | N03 | C04 | H9 | 143.4° | 153.6° |
| C02 | N03 | C55 | H45 | 169.7° | 167.1° |
| C02 | N03 | C55 | H46 | 70.3° | 44.6° |
| C05 | C04 | N03 | H8 | 120.1° | 120.7° |
| C05 | C04 | N03 | H9 | 120.1° | 120.7° |
| C04 | C05 | C06 | H10 | 120.7° | 120.1° |
| C04 | C05 | C06 | H11 | 120.7° | 120.1° |
| C04 | C05 | C06 | C07 | 80.0° | 89.6° |
| C04 | C05 | C06 | C14 | 101.2° | 90.6° |
| C05 | C04 | N03 | C55 | 92.5° | 140.6° |
| C05 | C04 | H8 | H9 | 119.7° | 118.7° |
| C04 | C05 | H10 | H11 | 117.9° | 119.9° |
| N03 | C04 | C05 | C06 | 87.9° | 68.5° |
| C04 | N03 | C55 | C56 | 139.4° | 147.1° |
| C04 | N03 | C02 | H6 | 113.9° | 101.3° |
| C04 | N03 | C02 | H7 | 7.0° | 23.5° |
| N03 | C04 | H8 | H9 | 119.6° | 118.7° |
| N03 | C04 | C05 | H10 | 32.7° | 51.6° |
| N03 | C04 | C05 | H11 | 151.4° | 171.4° |
| C04 | N03 | C55 | H45 | 19.4° | 28.3° |
| C04 | N03 | C55 | H46 | 100.6° | 94.2° |
| C05 | C06 | C07 | C14 | 178.8° | 179.8° |
| C05 | C06 | C07 | N08 | 178.8° | 178.8° |
| C05 | C06 | C14 | C09 | 179.5° | 179.2° |
| C06 | C05 | C04 | H8 | 32.2° | 52.2° |
| C06 | C05 | C04 | H9 | 151.9° | 170.8° |
| C06 | C05 | H10 | H11 | 117.9° | 119.8° |
| C07 | C06 | C14 | C09 | 0.4° | 0.7° |
| C06 | C07 | N08 | C09 | 0.5° | 1.0° |
| C07 | C06 | C05 | H10 | 40.6° | 30.5° |
| C07 | C06 | C05 | H11 | 159.3° | 150.3° |
| C06 | C07 | N08 | H55 | 179.5° | 179.0° |
| C14 | C06 | C07 | N08 | 0.0° | 1.0° |
| C06 | C14 | C09 | N08 | 0.6° | 0.0° |
| C06 | C14 | C13 | H2 | 0.0° | 0.1° |
| C14 | C06 | C05 | H10 | 138.2° | 149.4° |
| C14 | C06 | C05 | H11 | 19.5° | 29.6° |
| C07 | N08 | C09 | C14 | 0.7° | 0.6° |
| C07 | N08 | C09 | H55 | 180.0° | 179.9° |
| C14 | C09 | C10 | H1 | 180.0° | 179.7° |
| C09 | C14 | C13 | H2 | 179.9° | 179.9° |
| C14 | C09 | N08 | H55 | 179.3° | 179.5° |
| N08 | C09 | C10 | H1 | 0.9° | 0.2° |
| C12 | C11 | C10 | H1 | 179.8° | 179.8° |
| C11 | C12 | C13 | H2 | 179.7° | 180.0° |
| O17 | C16 | O18 | C19 | 21.2° | 0.0° |
| C16 | O18 | C19 | H14 | 180.0° | 180.0° |
| C16 | O18 | C19 | H15 | 60.0° | 60.0° |
| C16 | O18 | C19 | H16 | 60.0° | 60.0° |
| O18 | C19 | H14 | H15 | 120.0° | 120.0° |
| O18 | C19 | H14 | H16 | 120.0° | 120.0° |
| O18 | C19 | H15 | H16 | 120.0° | 119.9° |
| C23 | N28 | C29 | C31 | 177.4° | 180.0° |
| C23 | N28 | C29 | O30 | 179.1° | 6.3° |
| C23 | N28 | C31 | C32 | 80.1° | 135.7° |
| C23 | N28 | C31 | C52 | 38.3° | 14.9° |
| N28 | C23 | C24 | H4 | 1.1° | 5.3° |
| C23 | N28 | C29 | H20 | 0.9° | 173.7° |
| C23 | N28 | C31 | H21 | 155.7° | 103.7° |
| O26 | C25 | C24 | H4 | 1.1° | 0.1° |
| C25 | O26 | C27 | H17 | 180.0° | 60.0° |
| C25 | O26 | C27 | H18 | 60.0° | 60.1° |
| C25 | O26 | C27 | H19 | 60.0° | 180.0° |
| O26 | C27 | H17 | H18 | 120.0° | 120.0° |
| O26 | C27 | H17 | H19 | 120.0° | 120.0° |
| O26 | C27 | H18 | H19 | 120.0° | 119.9° |
| N28 | C29 | O30 | H20 | 180.0° | 180.0° |
| C29 | N28 | C31 | C32 | 102.0° | 44.3° |
| C29 | N28 | C31 | C52 | 139.5° | 165.1° |
| C29 | N28 | C31 | H21 | 22.2° | 76.2° |
| O30 | C29 | N28 | C31 | 1.7° | 173.7° |
| C32 | C31 | C52 | N28 | 117.3° | 117.5° |
| C32 | C31 | C52 | H21 | 121.7° | 123.4° |
| C32 | C31 | N28 | H21 | 124.2° | 120.6° |
| C31 | C32 | C34 | C38 | 121.6° | 119.7° |
| C31 | C32 | C34 | O33 | 117.1° | 120.1° |
| C31 | C32 | C38 | O33 | 123.1° | 119.9° |
| C31 | C32 | C34 | O35 | 94.7° | 105.8° |
| C31 | C32 | C34 | O36 | 84.5° | 74.3° |
| C31 | C32 | C38 | C43 | 46.6° | 71.9° |
| C31 | C32 | C38 | O39 | 176.9° | 168.6° |
| C32 | C31 | C52 | C51 | 161.2° | 117.6° |
| C32 | C31 | C52 | C53 | 40.5° | 0.9° |
| C31 | C32 | C38 | H25 | 69.7° | 47.7° |
| C31 | C32 | O33 | H57 | 180.0° | 180.0° |
| C52 | C31 | N28 | H21 | 117.3° | 118.6° |
| C52 | C31 | C32 | C34 | 108.4° | 165.8° |
| C52 | C31 | C32 | C38 | 10.8° | 45.9° |
| C52 | C31 | C32 | O33 | 136.2° | 74.1° |
| C31 | C52 | C53 | C43 | 16.7° | 20.9° |
| C31 | C52 | C51 | C50 | 121.9° | 147.6° |
| C31 | C52 | C51 | C53 | 123.5° | 126.5° |
| C31 | C52 | C53 | N49 | 108.6° | 120.9° |
| C31 | C52 | C51 | H40 | 2.6° | 29.2° |
| C31 | C52 | C51 | H41 | 118.7° | 94.0° |
| C31 | C52 | C53 | H42 | 135.0° | 133.3° |
| N28 | C31 | C32 | C34 | 3.1° | 50.3° |
| N28 | C31 | C32 | C38 | 122.2° | 69.6° |
| N28 | C31 | C32 | O33 | 112.4° | 170.5° |
| N28 | C31 | C52 | C51 | 81.5° | 125.0° |
| N28 | C31 | C52 | C53 | 157.8° | 116.5° |
| C31 | N28 | C29 | H20 | 178.3° | 6.3° |
| C34 | C32 | C38 | O33 | 117.1° | 120.2° |
| C32 | C34 | O35 | O36 | 179.2° | 179.9° |
| C32 | C34 | O36 | C37 | 148.2° | 180.0° |
| C34 | C32 | C38 | C43 | 166.4° | 168.2° |
| C34 | C32 | C38 | O39 | 63.3° | 48.6° |
| C34 | C32 | C31 | H21 | 130.0° | 70.8° |
| C34 | C32 | C38 | H25 | 50.1° | 72.2° |
| C34 | C32 | O33 | H57 | 62.8° | 59.9° |
| C38 | C32 | C34 | O35 | 26.9° | 13.9° |
| C38 | C32 | C34 | O36 | 153.9° | 166.0° |
| C32 | C38 | C43 | O39 | 131.6° | 119.5° |
| C32 | C38 | C43 | H25 | 116.9° | 119.6° |
| C32 | C38 | O39 | H25 | 114.8° | 120.8° |
| C32 | C38 | O39 | C40 | 112.9° | 100.6° |
| C32 | C38 | C43 | C44 | 167.6° | 166.2° |
| C32 | C38 | C43 | C46 | 53.1° | 78.1° |
| C32 | C38 | C43 | C53 | 75.3° | 49.6° |
| C38 | C32 | C31 | H21 | 110.8° | 169.3° |
| C38 | C32 | O33 | H57 | 55.2° | 60.3° |
| O33 | C32 | C34 | O35 | 148.3° | 134.1° |
| O33 | C32 | C34 | O36 | 32.6° | 45.9° |
| O33 | C32 | C38 | C43 | 76.5° | 48.0° |
| O33 | C32 | C38 | O39 | 53.8° | 71.5° |
| O33 | C32 | C31 | H21 | 14.6° | 49.4° |
| O33 | C32 | C38 | H25 | 167.2° | 167.6° |
| O35 | C34 | O36 | C37 | 30.9° | 0.1° |
| C34 | O36 | C37 | H22 | 180.0° | 179.9° |
| C34 | O36 | C37 | H23 | 60.0° | 60.0° |
| C34 | O36 | C37 | H24 | 60.0° | 60.1° |
| O36 | C37 | H22 | H23 | 120.0° | 120.0° |
| O36 | C37 | H22 | H24 | 120.0° | 120.0° |
| O36 | C37 | H23 | H24 | 120.0° | 120.1° |
| C43 | C38 | O39 | H25 | 112.1° | 120.9° |
| C43 | C38 | O39 | C40 | 114.0° | 141.2° |
| C38 | C43 | C44 | C46 | 119.7° | 117.2° |
| C38 | C43 | C44 | C53 | 119.4° | 120.2° |
| C38 | C43 | C46 | C53 | 126.7° | 126.5° |
| C38 | C43 | C44 | C45 | 77.7° | 60.0° |
| C38 | C43 | C46 | C47 | 129.7° | 122.0° |
| C38 | C43 | C53 | C52 | 35.2° | 4.7° |
| C38 | C43 | C53 | N49 | 156.9° | 144.2° |
| C38 | C43 | C44 | H29 | 161.9° | 60.0° |
| C38 | C43 | C44 | H30 | 42.7° | 180.0° |
| C38 | C43 | C46 | H34 | 50.3° | 58.0° |
| C38 | C43 | C53 | H42 | 82.6° | 107.3° |
| C38 | O39 | C40 | C41 | 170.6° | 175.0° |
| C38 | O39 | C40 | O42 | 9.4° | 5.0° |
| O39 | C38 | C43 | C44 | 36.0° | 74.3° |
| O39 | C38 | C43 | C46 | 78.6° | 41.4° |
| O39 | C38 | C43 | C53 | 153.1° | 169.1° |
| C41 | C40 | O39 | O42 | 180.0° | 180.0° |
| C40 | C41 | H26 | H27 | 120.0° | 120.0° |
| C40 | C41 | H26 | H28 | 120.0° | 120.0° |
| C40 | C41 | H27 | H28 | 120.0° | 120.0° |
| C40 | O39 | C38 | H25 | 1.9° | 20.3° |
| O39 | C40 | C41 | H26 | 180.0° | 0.0° |
| O39 | C40 | C41 | H27 | 60.0° | 120.0° |
| O39 | C40 | C41 | H28 | 60.0° | 120.0° |
| O42 | C40 | C41 | H26 | 0.0° | 180.0° |
| O42 | C40 | C41 | H27 | 120.0° | 60.0° |
| O42 | C40 | C41 | H28 | 120.0° | 60.0° |
| C44 | C43 | C46 | C53 | 116.3° | 117.8° |
| C43 | C44 | C45 | H29 | 120.4° | 120.0° |
| C43 | C44 | C45 | H30 | 120.4° | 120.0° |
| C44 | C43 | C46 | C47 | 113.3° | 122.3° |
| C44 | C43 | C53 | C52 | 153.0° | 121.6° |
| C44 | C43 | C53 | N49 | 85.3° | 99.0° |
| C44 | C43 | C38 | H25 | 75.5° | 46.6° |
| C43 | C44 | H29 | H30 | 118.7° | 120.0° |
| C43 | C44 | C45 | H31 | 180.0° | 59.9° |
| C43 | C44 | C45 | H32 | 60.0° | 60.0° |
| C43 | C44 | C45 | H33 | 60.0° | 180.0° |
| C44 | C43 | C46 | H34 | 66.7° | 57.6° |
| C44 | C43 | C53 | H42 | 35.2° | 9.5° |
| C46 | C43 | C44 | C45 | 162.6° | 57.2° |
| C43 | C46 | C47 | H34 | 180.0° | 180.0° |
| C43 | C46 | C47 | C48 | 1.7° | 1.0° |
| C46 | C43 | C53 | C52 | 92.3° | 120.4° |
| C46 | C43 | C53 | N49 | 29.4° | 19.1° |
| C46 | C43 | C38 | H25 | 170.0° | 162.3° |
| C46 | C43 | C44 | H29 | 42.2° | 177.2° |
| C46 | C43 | C44 | H30 | 77.0° | 62.8° |
| C43 | C46 | C47 | H35 | 178.3° | 179.1° |
| C46 | C43 | C53 | H42 | 149.8° | 127.6° |
| C53 | C43 | C44 | C45 | 41.7° | 179.8° |
| C53 | C43 | C46 | C47 | 3.0° | 4.5° |
| C43 | C53 | N49 | C48 | 60.4° | 47.3° |
| C43 | C53 | N49 | C50 | 148.2° | 165.5° |
| C43 | C53 | C52 | C51 | 140.1° | 141.6° |
| C43 | C53 | C52 | N49 | 125.2° | 141.9° |
| C43 | C53 | C52 | H42 | 118.3° | 112.4° |
| C43 | C53 | N49 | H42 | 119.7° | 109.6° |
| C53 | C43 | C38 | H25 | 41.6° | 70.0° |
| C53 | C43 | C44 | H29 | 78.7° | 60.2° |
| C53 | C43 | C44 | H30 | 162.1° | 59.8° |
| C53 | C43 | C46 | H34 | 177.0° | 175.5° |
| C45 | C44 | H29 | H30 | 118.7° | 120.0° |
| C44 | C45 | H31 | H32 | 120.0° | 119.9° |
| C44 | C45 | H31 | H33 | 120.0° | 120.0° |
| C44 | C45 | H32 | H33 | 120.0° | 120.0° |
| C46 | C47 | C48 | H35 | 180.0° | 179.9° |
| C46 | C47 | C48 | N49 | 28.6° | 28.7° |
| C46 | C47 | C48 | H36 | 91.9° | 91.6° |
| C46 | C47 | C48 | H37 | 149.0° | 149.2° |
| C47 | C48 | N49 | H36 | 120.4° | 120.5° |
| C47 | C48 | N49 | H37 | 120.4° | 120.4° |
| C47 | C48 | N49 | C50 | 161.8° | 166.7° |
| C47 | C48 | N49 | C53 | 58.4° | 50.4° |
| C48 | C47 | C46 | H34 | 178.3° | 179.0° |
| C47 | C48 | H36 | H37 | 118.7° | 119.3° |
| C48 | N49 | C50 | C51 | 90.9° | 86.2° |
| C48 | N49 | C50 | C53 | 113.2° | 121.0° |
| C48 | N49 | C53 | C52 | 65.0° | 96.4° |
| N49 | C48 | C47 | H35 | 151.5° | 151.3° |
| N49 | C48 | H36 | H37 | 118.7° | 119.2° |
| C48 | N49 | C50 | H38 | 149.1° | 155.1° |
| C48 | N49 | C50 | H39 | 29.1° | 32.4° |
| C48 | N49 | C53 | H42 | 180.0° | 157.0° |
| C51 | C50 | N49 | H38 | 120.0° | 118.6° |
| C51 | C50 | N49 | H39 | 120.0° | 118.6° |
| C50 | C51 | C52 | H40 | 119.4° | 118.4° |
| C50 | C51 | C52 | H41 | 119.4° | 118.4° |
| C50 | C51 | C52 | C53 | 1.5° | 21.1° |
| C51 | C50 | N49 | C53 | 22.4° | 34.7° |
| C51 | C50 | H38 | H39 | 120.0° | 122.7° |
| C50 | C51 | H40 | H41 | 121.8° | 123.1° |
| N49 | C50 | C51 | C52 | 13.1° | 34.3° |
| C50 | N49 | C53 | C52 | 22.8° | 21.7° |
| C50 | N49 | C48 | H36 | 41.4° | 46.2° |
| C50 | N49 | C48 | H37 | 77.8° | 72.9° |
| N49 | C50 | H38 | H39 | 119.9° | 122.7° |
| N49 | C50 | C51 | H40 | 106.2° | 84.1° |
| N49 | C50 | C51 | H41 | 132.5° | 152.7° |
| C50 | N49 | C53 | H42 | 92.2° | 84.9° |
| C51 | C52 | C53 | N49 | 14.9° | 0.3° |
| C51 | C52 | C31 | H21 | 39.5° | 5.8° |
| C52 | C51 | C50 | H38 | 106.9° | 84.3° |
| C52 | C51 | C50 | H39 | 133.1° | 153.0° |
| C52 | C51 | H40 | H41 | 121.8° | 123.2° |
| C51 | C52 | C53 | H42 | 101.6° | 106.0° |
| C52 | C53 | N49 | H42 | 115.0° | 106.6° |
| C53 | C52 | C31 | H21 | 81.2° | 124.4° |
| C53 | C52 | C51 | H40 | 120.9° | 97.3° |
| C53 | C52 | C51 | H41 | 117.8° | 139.5° |
| C53 | N49 | C48 | H36 | 62.1° | 70.1° |
| C53 | N49 | C48 | H37 | 178.8° | 170.8° |
| C53 | N49 | C50 | H38 | 97.7° | 83.9° |
| C53 | N49 | C50 | H39 | 142.4° | 153.3° |
| C56 | C55 | N03 | H45 | 120.0° | 118.8° |
| C56 | C55 | N03 | H46 | 120.0° | 118.7° |
| C55 | C56 | C58 | C60 | 125.4° | 121.0° |
| C55 | C56 | C58 | O57 | 115.8° | 119.5° |
| C55 | C56 | C60 | O57 | 123.5° | 120.3° |
| C55 | C56 | C58 | C59 | 119.7° | 60.1° |
| C56 | C55 | H45 | H46 | 120.0° | 122.5° |
| C55 | C56 | C58 | H47 | 120.4° | 180.0° |
| C55 | C56 | C58 | H48 | 0.3° | 60.0° |
| C55 | C56 | C60 | H52 | 162.9° | 169.1° |
| C55 | C56 | C60 | H53 | 77.6° | 72.3° |
| C55 | C56 | O57 | H58 | 180.0° | 59.9° |
| N03 | C55 | C56 | C58 | 158.5° | 174.2° |
| N03 | C55 | C56 | C60 | 37.8° | 53.9° |
| N03 | C55 | C56 | O57 | 87.2° | 66.3° |
| C55 | N03 | C02 | H6 | 57.9° | 35.9° |
| C55 | N03 | C02 | H7 | 178.7° | 160.8° |
| C55 | N03 | C04 | H8 | 147.4° | 98.7° |
| C55 | N03 | C04 | H9 | 27.6° | 19.9° |
| N03 | C55 | H45 | H46 | 119.9° | 122.4° |
| C58 | C56 | C60 | O57 | 115.6° | 119.5° |
| C56 | C58 | C59 | H47 | 119.9° | 119.9° |
| C56 | C58 | C59 | H48 | 119.9° | 120.0° |
| C58 | C56 | C55 | H45 | 81.5° | 67.1° |
| C58 | C56 | C55 | H46 | 38.5° | 55.5° |
| C56 | C58 | H47 | H48 | 120.2° | 120.0° |
| C56 | C58 | C59 | H49 | 180.0° | 60.1° |
| C56 | C58 | C59 | H50 | 60.0° | 60.0° |
| C56 | C58 | C59 | H51 | 60.0° | 180.0° |
| C58 | C56 | C60 | H52 | 76.3° | 70.6° |
| C58 | C56 | C60 | H53 | 43.2° | 47.9° |
| C58 | C56 | O57 | H58 | 64.4° | 59.5° |
| C60 | C56 | C58 | C59 | 114.9° | 178.9° |
| C56 | C60 | C01 | H5 | 173.8° | 176.9° |
| C60 | C56 | C55 | H45 | 157.7° | 172.7° |
| C60 | C56 | C55 | H46 | 82.2° | 64.8° |
| C60 | C56 | C58 | H47 | 5.0° | 59.0° |
| C60 | C56 | C58 | H48 | 125.2° | 61.0° |
| C56 | C60 | H52 | H53 | 119.2° | 118.6° |
| C60 | C56 | O57 | H58 | 52.4° | 179.0° |
| O57 | C56 | C58 | C59 | 3.9° | 59.5° |
| O57 | C56 | C55 | H45 | 32.8° | 52.4° |
| O57 | C56 | C55 | H46 | 152.8° | 175.0° |
| O57 | C56 | C58 | H47 | 123.8° | 60.5° |
| O57 | C56 | C58 | H48 | 116.0° | 179.5° |
| O57 | C56 | C60 | H52 | 39.4° | 48.9° |
| O57 | C56 | C60 | H53 | 158.9° | 167.4° |
| C59 | C58 | H47 | H48 | 120.2° | 120.1° |
| C58 | C59 | H49 | H50 | 120.1° | 120.1° |
| C58 | C59 | H49 | H51 | 120.0° | 119.9° |
| C58 | C59 | H50 | H51 | 120.0° | 120.0° |
| H1 | C10 | C11 | H12 | 0.2° | 0.2° |
| H2 | C13 | C12 | H13 | 0.3° | 0.1° |
| H5 | C01 | C02 | H6 | 62.1° | 72.1° |
| H5 | C01 | C02 | H7 | 58.8° | 52.8° |
| H5 | C01 | C54 | H43 | 157.8° | 165.8° |
| H5 | C01 | C54 | H44 | 84.9° | 77.4° |
| H5 | C01 | C60 | H52 | 65.9° | 62.4° |
| H5 | C01 | C60 | H53 | 53.5° | 56.1° |
| H8 | C04 | C05 | H10 | 152.8° | 172.3° |
| H8 | C04 | C05 | H11 | 88.5° | 68.0° |
| H9 | C04 | C05 | H10 | 87.4° | 69.1° |
| H9 | C04 | C05 | H11 | 31.3° | 50.6° |
| H12 | C11 | C12 | H13 | 0.3° | 0.1° |
| H14 | C19 | H15 | H16 | 120.0° | 120.0° |
| H17 | C27 | H18 | H19 | 120.0° | 120.1° |
| H22 | C37 | H23 | H24 | 120.0° | 120.0° |
| H26 | C41 | H27 | H28 | 120.0° | 120.0° |
| H29 | C44 | C45 | H31 | 59.6° | 180.0° |
| H29 | C44 | C45 | H32 | 179.6° | 60.0° |
| H29 | C44 | C45 | H33 | 60.4° | 60.0° |
| H30 | C44 | C45 | H31 | 59.6° | 60.0° |
| H30 | C44 | C45 | H32 | 60.4° | 180.0° |
| H30 | C44 | C45 | H33 | 179.6° | 60.0° |
| H31 | C45 | H32 | H33 | 120.0° | 120.1° |
| H34 | C46 | C47 | H35 | 1.7° | 0.9° |
| H35 | C47 | C48 | H36 | 88.1° | 88.3° |
| H35 | C47 | C48 | H37 | 31.0° | 30.9° |
| H38 | C50 | C51 | H40 | 133.8° | 157.2° |
| H38 | C50 | C51 | H41 | 12.5° | 34.1° |
| H39 | C50 | C51 | H40 | 13.8° | 34.5° |
| H39 | C50 | C51 | H41 | 107.5° | 88.6° |
| H47 | C58 | C59 | H49 | 60.1° | NaN° |
| H47 | C58 | C59 | H50 | 179.9° | 59.9° |
| H47 | C58 | C59 | H51 | 59.9° | 60.1° |
| H48 | C58 | C59 | H49 | 60.1° | 59.9° |
| H48 | C58 | C59 | H50 | 59.9° | 180.0° |
| H48 | C58 | C59 | H51 | 179.9° | 60.0° |
| H49 | C59 | H50 | H51 | 119.9° | 119.9° |
