A1ESD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N40 | C02 | sing | 1.47Å | 1.45Å | |
| C01 | C02 | sing | 1.53Å | 1.52Å | |
| C02 | C03 | sing | 1.53Å | 1.52Å | |
| C02 | C04 | sing | 1.51Å | 1.54Å | |
| C04 | O05 | doub | 1.21Å | 1.18Å | |
| C04 | N06 | sing | 1.35Å | 1.46Å | |
| N11 | C10 | sing | 1.37Å | 1.37Å | Aromatic |
| N11 | C12 | sing | 1.38Å | 1.37Å | Aromatic |
| C10 | C09 | doub | 1.34Å | 1.37Å | Aromatic |
| N06 | C07 | sing | 1.47Å | 1.45Å | |
| C12 | C13 | doub | 1.39Å | 1.56Å | Aromatic |
| C12 | C17 | sing | 1.41Å | 1.38Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.50Å | Aromatic |
| C09 | C17 | sing | 1.47Å | 1.35Å | Aromatic |
| C09 | C08 | sing | 1.51Å | 1.52Å | |
| C07 | C08 | sing | 1.53Å | 1.50Å | |
| C07 | C18 | sing | 1.51Å | 1.51Å | |
| C17 | C16 | doub | 1.39Å | 1.57Å | Aromatic |
| C14 | C15 | doub | 1.39Å | 1.47Å | Aromatic |
| C36 | N35 | sing | 1.46Å | 1.44Å | |
| C18 | O19 | doub | 1.21Å | 1.16Å | |
| C18 | N20 | sing | 1.35Å | 1.45Å | |
| C38 | N37 | sing | 1.47Å | 1.45Å | |
| O34 | C33 | doub | 1.21Å | 1.17Å | |
| C16 | C15 | sing | 1.37Å | 1.49Å | Aromatic |
| N35 | C33 | sing | 1.35Å | 1.47Å | |
| N35 | N37 | sing | 1.37Å | 1.41Å | |
| N20 | C21 | sing | 1.47Å | 1.49Å | |
| N20 | C25 | sing | 1.47Å | 1.50Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| C22 | C23 | sing | 1.53Å | 1.48Å | |
| C33 | C24 | sing | 1.51Å | 1.59Å | |
| N37 | C39 | sing | 1.47Å | 1.45Å | |
| C25 | C24 | sing | 1.53Å | 1.54Å | |
| C23 | C24 | sing | 1.53Å | 1.48Å | |
| C24 | C26 | sing | 1.53Å | 1.55Å | |
| C32 | C31 | doub | 1.38Å | 1.53Å | Aromatic |
| C32 | C27 | sing | 1.38Å | 1.52Å | Aromatic |
| C26 | C27 | sing | 1.51Å | 1.54Å | |
| C31 | C30 | sing | 1.38Å | 1.52Å | Aromatic |
| C27 | C28 | doub | 1.38Å | 1.53Å | Aromatic |
| C30 | C29 | doub | 1.38Å | 1.52Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.51Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C15 | H3 | sing | 1.08Å | 1.08Å | |
| C21 | H4 | sing | 1.09Å | 1.10Å | |
| C21 | H5 | sing | 1.09Å | 1.10Å | |
| C22 | H6 | sing | 1.09Å | 1.10Å | |
| C22 | H7 | sing | 1.09Å | 1.10Å | |
| C26 | H8 | sing | 1.09Å | 1.10Å | |
| C26 | H9 | sing | 1.09Å | 1.10Å | |
| C28 | H10 | sing | 1.08Å | 1.08Å | |
| C01 | H11 | sing | 1.09Å | 1.10Å | |
| C01 | H12 | sing | 1.09Å | 1.10Å | |
| C01 | H13 | sing | 1.09Å | 1.10Å | |
| C03 | H14 | sing | 1.09Å | 1.10Å | |
| C03 | H15 | sing | 1.09Å | 1.10Å | |
| C03 | H16 | sing | 1.09Å | 1.10Å | |
| C07 | H17 | sing | 1.09Å | 1.10Å | |
| C08 | H18 | sing | 1.09Å | 1.10Å | |
| C08 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.08Å | 1.08Å | |
| C16 | H21 | sing | 1.08Å | 1.08Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C29 | H26 | sing | 1.08Å | 1.08Å | |
| C30 | H27 | sing | 1.08Å | 1.08Å | |
| C31 | H28 | sing | 1.08Å | 1.08Å | |
| C32 | H29 | sing | 1.08Å | 1.08Å | |
| C36 | H30 | sing | 1.09Å | 1.10Å | |
| C36 | H31 | sing | 1.09Å | 1.10Å | |
| C36 | H32 | sing | 1.09Å | 1.10Å | |
| C38 | H33 | sing | 1.09Å | 1.10Å | |
| C38 | H34 | sing | 1.09Å | 1.10Å | |
| C38 | H35 | sing | 1.09Å | 1.10Å | |
| C39 | H36 | sing | 1.09Å | 1.10Å | |
| C39 | H37 | sing | 1.09Å | 1.10Å | |
| C39 | H38 | sing | 1.09Å | 1.10Å | |
| N06 | H39 | sing | 0.97Å | 1.00Å | |
| N11 | H40 | sing | 0.97Å | 1.00Å | |
| N40 | H41 | sing | 1.01Å | 1.00Å | |
| N40 | H42 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N40 | C02 | C01 | 108.2° | 109.4° |
| N40 | C02 | C03 | 109.1° | 109.5° |
| N40 | C02 | C04 | 111.5° | 109.5° |
| C02 | N40 | H41 | 109.5° | 111.1° |
| C02 | N40 | H42 | 109.5° | 110.9° |
| C01 | C02 | C03 | 109.2° | 109.5° |
| C01 | C02 | C04 | 109.1° | 109.4° |
| C02 | C01 | H11 | 109.5° | 109.4° |
| C02 | C01 | H12 | 109.4° | 109.5° |
| C02 | C01 | H13 | 109.5° | 109.5° |
| C03 | C02 | C04 | 109.6° | 109.5° |
| C02 | C03 | H14 | 109.5° | 109.5° |
| C02 | C03 | H15 | 109.5° | 109.4° |
| C02 | C03 | H16 | 109.5° | 109.5° |
| C02 | C04 | O05 | 120.2° | 120.0° |
| C02 | C04 | N06 | 118.4° | 120.0° |
| O05 | C04 | N06 | 121.4° | 120.0° |
| C04 | N06 | C07 | 127.8° | 120.0° |
| C04 | N06 | H39 | 116.1° | 120.0° |
| C10 | N11 | C12 | 108.0° | 109.9° |
| N11 | C10 | C09 | 107.1° | 109.9° |
| N11 | C10 | H1 | 126.4° | 125.1° |
| C10 | N11 | H40 | 125.9° | 125.0° |
| N11 | C12 | C13 | 132.3° | 133.5° |
| N11 | C12 | C17 | 108.2° | 107.2° |
| C12 | N11 | H40 | 126.0° | 125.1° |
| C10 | C09 | C17 | 109.3° | 107.0° |
| C10 | C09 | C08 | 126.8° | 126.5° |
| C09 | C10 | H1 | 126.5° | 125.0° |
| N06 | C07 | C08 | 106.0° | 109.4° |
| N06 | C07 | C18 | 111.3° | 109.4° |
| N06 | C07 | H17 | 112.0° | 109.4° |
| C07 | N06 | H39 | 116.1° | 120.0° |
| C13 | C12 | C17 | 119.5° | 119.3° |
| C12 | C13 | C14 | 118.1° | 119.8° |
| C12 | C13 | H2 | 120.9° | 120.1° |
| C12 | C17 | C09 | 107.3° | 106.0° |
| C12 | C17 | C16 | 122.1° | 119.9° |
| C13 | C14 | C15 | 123.0° | 120.7° |
| C14 | C13 | H2 | 121.0° | 120.1° |
| C13 | C14 | H20 | 118.5° | 119.7° |
| C17 | C09 | C08 | 123.9° | 126.5° |
| C09 | C17 | C16 | 130.5° | 134.0° |
| C09 | C08 | C07 | 103.8° | 109.4° |
| C09 | C08 | H18 | 110.9° | 109.5° |
| C09 | C08 | H19 | 110.9° | 109.5° |
| C08 | C07 | C18 | 105.0° | 109.5° |
| C08 | C07 | H17 | 111.1° | 109.5° |
| C07 | C08 | H18 | 110.9° | 109.4° |
| C07 | C08 | H19 | 110.9° | 109.5° |
| C07 | C18 | O19 | 118.2° | 120.1° |
| C07 | C18 | N20 | 123.0° | 119.9° |
| C18 | C07 | H17 | 111.0° | 109.5° |
| C17 | C16 | C15 | 119.3° | 119.8° |
| C17 | C16 | H21 | 120.3° | 120.1° |
| C14 | C15 | C16 | 117.9° | 120.5° |
| C14 | C15 | H3 | 121.0° | 119.8° |
| C15 | C14 | H20 | 118.5° | 119.6° |
| C36 | N35 | C33 | 114.1° | 120.0° |
| C36 | N35 | N37 | 115.4° | 120.0° |
| N35 | C36 | H30 | 109.5° | 109.5° |
| N35 | C36 | H31 | 109.4° | 109.5° |
| N35 | C36 | H32 | 109.4° | 109.4° |
| O19 | C18 | N20 | 118.7° | 120.0° |
| C18 | N20 | C21 | 123.9° | 120.7° |
| C18 | N20 | C25 | 121.3° | 120.6° |
| C38 | N37 | N35 | 106.8° | 111.0° |
| C38 | N37 | C39 | 103.4° | 111.0° |
| N37 | C38 | H33 | 109.5° | 109.5° |
| N37 | C38 | H34 | 109.4° | 109.5° |
| N37 | C38 | H35 | 109.4° | 109.5° |
| O34 | C33 | N35 | 110.9° | 120.0° |
| O34 | C33 | C24 | 115.7° | 120.0° |
| C16 | C15 | H3 | 121.1° | 119.8° |
| C15 | C16 | H21 | 120.3° | 120.1° |
| C33 | N35 | N37 | 130.5° | 120.0° |
| N35 | C33 | C24 | 133.3° | 120.0° |
| N35 | N37 | C39 | 111.6° | 111.0° |
| C21 | N20 | C25 | 114.8° | 118.7° |
| N20 | C21 | C22 | 111.9° | 108.8° |
| N20 | C21 | H4 | 108.9° | 109.6° |
| N20 | C21 | H5 | 108.9° | 109.7° |
| N20 | C25 | C24 | 114.8° | 108.8° |
| N20 | C25 | H24 | 108.1° | 109.6° |
| N20 | C25 | H25 | 108.1° | 109.7° |
| C21 | C22 | C23 | 110.5° | 109.3° |
| C22 | C21 | H4 | 108.9° | 109.6° |
| C22 | C21 | H5 | 108.9° | 109.6° |
| C21 | C22 | H6 | 109.2° | 109.5° |
| C21 | C22 | H7 | 109.2° | 109.5° |
| C22 | C23 | C24 | 119.7° | 109.6° |
| C23 | C22 | H6 | 109.2° | 109.5° |
| C23 | C22 | H7 | 109.2° | 109.5° |
| C22 | C23 | H22 | 106.9° | 109.4° |
| C22 | C23 | H23 | 106.9° | 109.5° |
| C33 | C24 | C25 | 116.4° | 109.5° |
| C33 | C24 | C23 | 105.6° | 109.5° |
| C33 | C24 | C26 | 111.7° | 109.5° |
| N37 | C39 | H36 | 109.5° | 109.5° |
| N37 | C39 | H37 | 109.5° | 109.4° |
| N37 | C39 | H38 | 109.5° | 109.4° |
| C25 | C24 | C23 | 109.8° | 109.3° |
| C25 | C24 | C26 | 106.3° | 109.5° |
| C24 | C25 | H24 | 108.1° | 109.6° |
| C24 | C25 | H25 | 108.1° | 109.6° |
| C23 | C24 | C26 | 106.6° | 109.5° |
| C24 | C23 | H22 | 106.9° | 109.5° |
| C24 | C23 | H23 | 106.9° | 109.5° |
| C24 | C26 | C27 | 107.6° | 109.5° |
| C24 | C26 | H8 | 109.9° | 109.5° |
| C24 | C26 | H9 | 109.9° | 109.5° |
| C31 | C32 | C27 | 121.0° | 120.0° |
| C32 | C31 | C30 | 117.0° | 120.0° |
| C32 | C31 | H28 | 121.5° | 120.0° |
| C31 | C32 | H29 | 119.5° | 120.0° |
| C32 | C27 | C26 | 118.5° | 120.0° |
| C32 | C27 | C28 | 120.4° | 120.0° |
| C27 | C32 | H29 | 119.5° | 120.0° |
| C26 | C27 | C28 | 121.1° | 120.0° |
| C27 | C26 | H8 | 109.9° | 109.5° |
| C27 | C26 | H9 | 109.9° | 109.5° |
| C31 | C30 | C29 | 123.1° | 119.9° |
| C31 | C30 | H27 | 118.5° | 120.0° |
| C30 | C31 | H28 | 121.5° | 120.0° |
| C27 | C28 | C29 | 119.7° | 120.0° |
| C27 | C28 | H10 | 120.2° | 120.0° |
| C30 | C29 | C28 | 118.8° | 120.1° |
| C30 | C29 | H26 | 120.6° | 119.9° |
| C29 | C30 | H27 | 118.5° | 120.0° |
| C29 | C28 | H10 | 120.1° | 120.0° |
| C28 | C29 | H26 | 120.6° | 120.0° |
| H4 | C21 | H5 | 109.5° | 109.6° |
| H6 | C22 | H7 | 109.5° | 109.6° |
| H8 | C26 | H9 | 109.5° | 109.4° |
| H11 | C01 | H12 | 109.5° | 109.5° |
| H11 | C01 | H13 | 109.5° | 109.5° |
| H12 | C01 | H13 | 109.4° | 109.5° |
| H14 | C03 | H15 | 109.4° | 109.5° |
| H14 | C03 | H16 | 109.5° | 109.4° |
| H15 | C03 | H16 | 109.5° | 109.5° |
| H18 | C08 | H19 | 109.5° | 109.5° |
| H22 | C23 | H23 | 109.4° | 109.4° |
| H24 | C25 | H25 | 109.4° | 109.6° |
| H30 | C36 | H31 | 109.5° | 109.4° |
| H30 | C36 | H32 | 109.5° | 109.5° |
| H31 | C36 | H32 | 109.5° | 109.5° |
| H33 | C38 | H34 | 109.5° | 109.5° |
| H33 | C38 | H35 | 109.5° | 109.5° |
| H34 | C38 | H35 | 109.5° | 109.4° |
| H36 | C39 | H37 | 109.5° | 109.5° |
| H36 | C39 | H38 | 109.4° | 109.5° |
| H37 | C39 | H38 | 109.5° | 109.5° |
| H41 | N40 | H42 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N40 | C02 | C01 | C03 | 118.7° | 120.0° |
| N40 | C02 | C01 | C04 | 121.5° | 120.0° |
| N40 | C02 | C03 | C04 | 122.3° | 120.1° |
| N40 | C02 | C04 | O05 | 49.0° | 145.0° |
| N40 | C02 | C04 | N06 | 131.1° | 34.9° |
| N40 | C02 | C01 | H11 | 180.0° | 60.0° |
| N40 | C02 | C01 | H12 | 60.0° | 60.0° |
| N40 | C02 | C01 | H13 | 60.0° | 180.0° |
| N40 | C02 | C03 | H14 | 180.0° | 179.9° |
| N40 | C02 | C03 | H15 | 60.0° | 60.1° |
| N40 | C02 | C03 | H16 | 60.0° | 60.0° |
| C02 | N40 | H41 | H42 | 120.0° | 123.9° |
| C01 | C02 | C03 | C04 | 119.5° | 120.0° |
| C01 | C02 | C04 | O05 | 168.5° | 95.0° |
| C01 | C02 | C04 | N06 | 11.6° | 85.1° |
| C02 | C01 | H11 | H12 | 120.0° | 120.0° |
| C02 | C01 | H11 | H13 | 120.0° | 120.0° |
| C02 | C01 | H12 | H13 | 120.0° | 120.0° |
| C01 | C02 | C03 | H14 | 61.9° | 60.0° |
| C01 | C02 | C03 | H15 | 178.2° | 180.0° |
| C01 | C02 | C03 | H16 | 58.1° | 60.0° |
| C01 | C02 | N40 | H41 | 180.0° | 56.1° |
| C01 | C02 | N40 | H42 | 60.0° | 180.0° |
| C03 | C02 | C04 | O05 | 71.9° | 24.9° |
| C03 | C02 | C04 | N06 | 108.0° | 155.0° |
| C03 | C02 | C01 | H11 | 61.3° | 60.0° |
| C03 | C02 | C01 | H12 | 58.7° | 180.0° |
| C03 | C02 | C01 | H13 | 178.7° | 60.0° |
| C02 | C03 | H14 | H15 | 120.0° | 120.0° |
| C02 | C03 | H14 | H16 | 120.0° | 119.9° |
| C02 | C03 | H15 | H16 | 120.0° | 120.0° |
| C03 | C02 | N40 | H41 | 61.3° | 63.9° |
| C03 | C02 | N40 | H42 | 178.7° | 60.0° |
| C02 | C04 | O05 | N06 | 179.9° | 179.9° |
| C02 | C04 | N06 | C07 | 179.8° | 180.0° |
| C04 | C02 | C01 | H11 | 58.5° | 180.0° |
| C04 | C02 | C01 | H12 | 178.6° | 60.0° |
| C04 | C02 | C01 | H13 | 61.5° | 60.0° |
| C04 | C02 | C03 | H14 | 57.6° | 60.0° |
| C04 | C02 | C03 | H15 | 62.3° | 60.0° |
| C04 | C02 | C03 | H16 | 177.7° | 179.9° |
| C02 | C04 | N06 | H39 | 0.2° | 0.1° |
| C04 | C02 | N40 | H41 | 60.0° | 176.1° |
| C04 | C02 | N40 | H42 | 60.0° | 60.0° |
| O05 | C04 | N06 | C07 | 0.1° | 0.1° |
| O05 | C04 | N06 | H39 | 179.9° | 180.0° |
| C04 | N06 | C07 | H39 | 180.0° | 180.0° |
| C04 | N06 | C07 | C08 | 165.1° | 60.0° |
| C04 | N06 | C07 | C18 | 51.4° | 60.0° |
| C04 | N06 | C07 | H17 | 73.5° | 180.0° |
| C10 | N11 | C12 | H40 | 180.0° | 179.9° |
| N11 | C10 | C09 | H1 | 180.0° | 179.6° |
| C10 | N11 | C12 | C13 | 180.0° | 179.8° |
| C10 | N11 | C12 | C17 | 0.3° | 0.2° |
| N11 | C10 | C09 | C17 | 1.5° | 0.3° |
| N11 | C10 | C09 | C08 | 179.7° | 179.7° |
| C12 | N11 | C10 | C09 | 1.1° | 0.1° |
| N11 | C12 | C13 | C17 | 179.6° | 179.9° |
| N11 | C12 | C13 | C14 | 179.7° | 179.9° |
| N11 | C12 | C17 | C09 | 0.6° | 0.4° |
| N11 | C12 | C17 | C16 | 179.4° | 179.9° |
| C12 | N11 | C10 | H1 | 178.9° | 179.7° |
| N11 | C12 | C13 | H2 | 0.3° | 0.5° |
| C10 | C09 | C17 | C12 | 1.3° | 0.4° |
| C10 | C09 | C17 | C08 | 178.3° | 180.0° |
| C10 | C09 | C08 | C07 | 94.7° | 95.0° |
| C10 | C09 | C17 | C16 | 179.9° | 180.0° |
| C10 | C09 | C08 | H18 | 24.4° | 145.1° |
| C10 | C09 | C08 | H19 | 146.2° | 25.0° |
| C09 | C10 | N11 | H40 | 178.9° | 180.0° |
| N06 | C07 | C08 | C09 | 87.7° | 65.0° |
| N06 | C07 | C08 | C18 | 117.9° | 119.9° |
| N06 | C07 | C08 | H17 | 121.9° | 120.0° |
| N06 | C07 | C18 | H17 | 125.5° | 120.0° |
| N06 | C07 | C18 | O19 | 35.9° | 19.9° |
| N06 | C07 | C18 | N20 | 143.9° | 160.0° |
| N06 | C07 | C08 | H18 | 31.4° | 175.0° |
| N06 | C07 | C08 | H19 | 153.2° | 55.0° |
| C12 | C13 | C14 | H2 | 180.0° | 179.6° |
| C13 | C12 | C17 | C09 | 179.1° | 179.7° |
| C13 | C12 | C17 | C16 | 0.3° | 0.0° |
| C12 | C13 | C14 | C15 | 0.1° | 0.4° |
| C12 | C13 | C14 | H20 | 179.9° | 179.6° |
| C13 | C12 | N11 | H40 | 0.0° | 0.2° |
| C17 | C12 | C13 | C14 | 0.1° | 0.0° |
| C12 | C17 | C09 | C16 | 178.7° | 179.6° |
| C12 | C17 | C09 | C08 | 179.5° | 179.6° |
| C12 | C17 | C16 | C15 | 0.7° | 0.5° |
| C17 | C12 | C13 | H2 | 179.9° | 179.6° |
| C12 | C17 | C16 | H21 | 179.3° | 179.5° |
| C17 | C12 | N11 | H40 | 179.7° | 179.7° |
| C13 | C14 | C15 | H20 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.2° | 0.9° |
| C13 | C14 | C15 | H3 | 179.8° | 180.0° |
| C17 | C09 | C08 | C07 | 83.2° | 85.0° |
| C09 | C17 | C16 | C15 | 179.2° | 180.0° |
| C17 | C09 | C10 | H1 | 178.5° | 179.9° |
| C17 | C09 | C08 | H18 | 157.7° | 34.9° |
| C17 | C09 | C08 | H19 | 35.9° | 155.0° |
| C09 | C17 | C16 | H21 | 0.8° | 0.0° |
| C09 | C08 | C07 | H18 | 119.1° | 120.0° |
| C09 | C08 | C07 | H19 | 119.1° | 120.0° |
| C09 | C08 | C07 | C18 | 154.4° | 175.0° |
| C08 | C09 | C17 | C16 | 1.8° | 0.0° |
| C08 | C09 | C10 | H1 | 0.3° | 0.0° |
| C09 | C08 | C07 | H17 | 34.3° | 55.0° |
| C09 | C08 | H18 | H19 | 122.6° | 120.0° |
| C08 | C07 | C18 | H17 | 120.2° | 120.1° |
| C08 | C07 | C18 | O19 | 78.4° | 100.0° |
| C08 | C07 | C18 | N20 | 101.7° | 80.1° |
| C07 | C08 | H18 | H19 | 122.6° | 120.0° |
| C08 | C07 | N06 | H39 | 14.9° | 120.0° |
| C07 | C18 | O19 | N20 | 179.8° | 179.9° |
| C07 | C18 | N20 | C21 | 1.5° | 5.9° |
| C07 | C18 | N20 | C25 | 179.2° | 174.2° |
| C18 | C07 | C08 | H18 | 86.5° | 55.1° |
| C18 | C07 | C08 | H19 | 35.3° | 65.0° |
| C18 | C07 | N06 | H39 | 128.6° | 120.0° |
| C17 | C16 | C15 | C14 | 0.6° | 0.9° |
| C17 | C16 | C15 | H21 | 180.0° | 180.0° |
| C17 | C16 | C15 | H3 | 179.4° | 180.0° |
| C14 | C15 | C16 | H3 | 180.0° | 179.2° |
| C15 | C14 | C13 | H2 | 179.9° | 180.0° |
| C14 | C15 | C16 | H21 | 179.4° | 179.1° |
| C36 | N35 | N37 | C38 | 19.4° | 66.7° |
| C36 | N35 | C33 | O34 | 2.3° | 6.8° |
| C36 | N35 | C33 | N37 | 178.2° | 180.0° |
| C36 | N35 | C33 | C24 | 179.0° | 173.2° |
| C36 | N35 | N37 | C39 | 93.0° | 57.3° |
| N35 | C36 | H30 | H31 | 120.0° | 120.0° |
| N35 | C36 | H30 | H32 | 120.0° | 120.0° |
| N35 | C36 | H31 | H32 | 119.9° | 120.0° |
| O19 | C18 | N20 | C21 | 178.7° | 174.2° |
| O19 | C18 | N20 | C25 | 0.7° | 5.7° |
| O19 | C18 | C07 | H17 | 161.4° | 139.9° |
| C18 | N20 | C21 | C25 | 179.4° | 179.9° |
| C18 | N20 | C21 | C22 | 129.2° | 126.4° |
| C18 | N20 | C25 | C24 | 132.5° | 126.4° |
| C18 | N20 | C21 | H4 | 110.4° | 6.7° |
| C18 | N20 | C21 | H5 | 8.8° | 113.7° |
| N20 | C18 | C07 | H17 | 18.5° | 40.0° |
| C18 | N20 | C25 | H24 | 11.7° | 113.7° |
| C18 | N20 | C25 | H25 | 106.7° | 6.6° |
| C38 | N37 | N35 | C33 | 158.9° | 113.3° |
| C38 | N37 | N35 | C39 | 112.3° | 124.0° |
| N37 | C38 | H33 | H34 | 120.0° | 120.0° |
| N37 | C38 | H33 | H35 | 120.0° | 120.0° |
| N37 | C38 | H34 | H35 | 120.0° | 120.0° |
| C38 | N37 | C39 | H36 | 180.0° | 63.6° |
| C38 | N37 | C39 | H37 | 60.0° | 176.4° |
| C38 | N37 | C39 | H38 | 60.0° | 56.4° |
| O34 | C33 | N35 | C24 | 176.7° | 179.9° |
| O34 | C33 | N35 | N37 | 179.5° | 173.2° |
| O34 | C33 | C24 | C25 | 116.4° | 120.4° |
| O34 | C33 | C24 | C23 | 5.7° | 0.5° |
| O34 | C33 | C24 | C26 | 121.2° | 119.5° |
| C16 | C15 | C14 | H20 | 179.7° | 179.2° |
| C33 | N35 | N37 | C39 | 88.8° | 122.8° |
| N35 | C33 | C24 | C25 | 67.0° | 59.6° |
| N35 | C33 | C24 | C23 | 170.9° | 179.4° |
| N35 | C33 | C24 | C26 | 55.4° | 60.5° |
| C33 | N35 | C36 | H30 | 180.0° | 90.0° |
| C33 | N35 | C36 | H31 | 60.0° | 150.0° |
| C33 | N35 | C36 | H32 | 60.0° | 30.0° |
| N37 | N35 | C33 | C24 | 2.7° | 6.8° |
| N37 | N35 | C36 | H30 | 1.5° | 90.0° |
| N37 | N35 | C36 | H31 | 121.5° | 30.0° |
| N37 | N35 | C36 | H32 | 118.5° | 150.0° |
| N35 | N37 | C38 | H33 | 180.0° | 64.1° |
| N35 | N37 | C38 | H34 | 60.0° | 175.9° |
| N35 | N37 | C38 | H35 | 60.0° | 56.0° |
| N35 | N37 | C39 | H36 | 65.6° | 60.4° |
| N35 | N37 | C39 | H37 | 54.4° | 59.7° |
| N35 | N37 | C39 | H38 | 174.5° | 179.6° |
| N20 | C21 | C22 | H4 | 120.4° | 119.8° |
| N20 | C21 | C22 | H5 | 120.4° | 120.0° |
| N20 | C21 | C22 | C23 | 50.3° | 54.6° |
| C21 | N20 | C25 | C24 | 48.1° | 53.6° |
| N20 | C21 | H4 | H5 | 118.9° | 120.4° |
| N20 | C21 | C22 | H6 | 170.5° | 174.6° |
| N20 | C21 | C22 | H7 | 69.8° | 65.3° |
| C21 | N20 | C25 | H24 | 168.8° | 66.2° |
| C21 | N20 | C25 | H25 | 72.7° | 173.5° |
| C25 | N20 | C21 | C22 | 51.4° | 53.6° |
| N20 | C25 | C24 | C33 | 77.5° | 65.3° |
| N20 | C25 | C24 | H24 | 120.8° | 119.8° |
| N20 | C25 | C24 | H25 | 120.8° | 119.9° |
| N20 | C25 | C24 | C23 | 42.3° | 54.6° |
| N20 | C25 | C24 | C26 | 157.3° | 174.6° |
| C25 | N20 | C21 | H4 | 69.0° | 173.4° |
| C25 | N20 | C21 | H5 | 171.8° | 66.3° |
| N20 | C25 | H24 | H25 | 117.6° | 120.4° |
| C21 | C22 | C23 | H6 | 120.2° | 120.0° |
| C21 | C22 | C23 | H7 | 120.1° | 119.9° |
| C21 | C22 | C23 | C24 | 50.7° | 61.4° |
| C22 | C21 | H4 | H5 | 118.9° | 120.3° |
| C21 | C22 | H6 | H7 | 119.6° | 120.1° |
| C21 | C22 | C23 | H22 | 70.7° | 58.7° |
| C21 | C22 | C23 | H23 | 172.2° | 178.6° |
| C22 | C23 | C24 | C33 | 80.3° | 58.6° |
| C22 | C23 | C24 | C25 | 45.9° | 61.3° |
| C22 | C23 | C24 | H22 | 121.4° | 120.0° |
| C22 | C23 | C24 | H23 | 121.5° | 120.1° |
| C22 | C23 | C24 | C26 | 160.7° | 178.7° |
| C23 | C22 | C21 | H4 | 70.0° | 174.4° |
| C23 | C22 | C21 | H5 | 170.7° | 65.3° |
| C23 | C22 | H6 | H7 | 119.5° | 120.1° |
| C22 | C23 | H22 | H23 | 115.4° | 120.0° |
| C33 | C24 | C25 | C23 | 119.8° | 120.0° |
| C33 | C24 | C25 | C26 | 125.2° | 120.1° |
| C33 | C24 | C23 | C26 | 119.0° | 120.1° |
| C33 | C24 | C26 | C27 | 58.9° | 66.3° |
| C33 | C24 | C26 | H8 | 60.9° | 53.7° |
| C33 | C24 | C26 | H9 | 178.5° | 173.7° |
| C33 | C24 | C23 | H22 | 158.3° | 178.7° |
| C33 | C24 | C23 | H23 | 41.2° | 61.4° |
| C33 | C24 | C25 | H24 | 43.3° | 174.8° |
| C33 | C24 | C25 | H25 | 161.7° | 54.6° |
| C39 | N37 | C38 | H33 | 62.1° | 59.8° |
| C39 | N37 | C38 | H34 | 57.9° | 60.2° |
| C39 | N37 | C38 | H35 | 177.9° | 179.9° |
| N37 | C39 | H36 | H37 | 120.0° | 120.0° |
| N37 | C39 | H36 | H38 | 120.0° | 119.9° |
| N37 | C39 | H37 | H38 | 120.0° | 119.9° |
| C25 | C24 | C23 | C26 | 114.8° | 120.0° |
| C25 | C24 | C26 | C27 | 173.2° | 173.6° |
| C25 | C24 | C26 | H8 | 67.1° | 66.4° |
| C25 | C24 | C26 | H9 | 53.5° | 53.5° |
| C25 | C24 | C23 | H22 | 75.5° | 58.7° |
| C25 | C24 | C23 | H23 | 167.4° | 178.6° |
| C24 | C25 | H24 | H25 | 117.6° | 120.3° |
| C23 | C24 | C26 | C27 | 56.0° | 53.8° |
| C24 | C23 | C22 | H6 | 170.9° | 178.7° |
| C24 | C23 | C22 | H7 | 69.4° | 58.6° |
| C23 | C24 | C26 | H8 | 175.7° | 173.8° |
| C23 | C24 | C26 | H9 | 63.7° | 66.3° |
| C24 | C23 | H22 | H23 | 115.4° | 119.9° |
| C23 | C24 | C25 | H24 | 163.1° | 65.2° |
| C23 | C24 | C25 | H25 | 78.5° | 174.6° |
| C24 | C26 | C27 | C32 | 91.9° | 98.1° |
| C24 | C26 | C27 | H8 | 119.7° | 120.0° |
| C24 | C26 | C27 | H9 | 119.7° | 120.1° |
| C24 | C26 | C27 | C28 | 88.1° | 81.9° |
| C24 | C26 | H8 | H9 | 120.8° | 120.0° |
| C26 | C24 | C23 | H22 | 39.3° | 61.3° |
| C26 | C24 | C23 | H23 | 77.8° | 58.6° |
| C26 | C24 | C25 | H24 | 81.9° | 54.7° |
| C26 | C24 | C25 | H25 | 36.5° | 65.5° |
| C31 | C32 | C27 | H29 | 180.0° | 179.2° |
| C31 | C32 | C27 | C26 | 179.0° | 179.5° |
| C32 | C31 | C30 | H28 | 180.0° | 179.4° |
| C31 | C32 | C27 | C28 | 1.1° | 0.5° |
| C32 | C31 | C30 | C29 | 0.1° | 0.6° |
| C32 | C31 | C30 | H27 | 179.9° | 179.4° |
| C32 | C27 | C26 | C28 | 180.0° | 180.0° |
| C27 | C32 | C31 | C30 | 0.5° | 0.8° |
| C32 | C27 | C28 | C29 | 1.2° | 0.0° |
| C32 | C27 | C26 | H8 | 27.8° | 141.9° |
| C32 | C27 | C26 | H9 | 148.4° | 21.9° |
| C32 | C27 | C28 | H10 | 178.8° | 179.7° |
| C27 | C32 | C31 | H28 | 179.5° | 179.8° |
| C26 | C27 | C28 | C29 | 178.8° | 180.0° |
| C27 | C26 | H8 | H9 | 120.9° | 120.0° |
| C26 | C27 | C28 | H10 | 1.2° | 0.3° |
| C26 | C27 | C32 | H29 | 1.0° | 0.2° |
| C31 | C30 | C29 | H27 | 180.0° | 180.0° |
| C31 | C30 | C29 | C28 | 0.3° | 0.0° |
| C31 | C30 | C29 | H26 | 179.7° | 180.0° |
| C30 | C31 | C32 | H29 | 179.6° | 180.0° |
| C27 | C28 | C29 | C30 | 0.8° | 0.3° |
| C27 | C28 | C29 | H10 | 180.0° | 179.7° |
| C28 | C27 | C26 | H8 | 152.2° | 38.1° |
| C28 | C27 | C26 | H9 | 31.6° | 158.0° |
| C27 | C28 | C29 | H26 | 179.2° | 179.7° |
| C28 | C27 | C32 | H29 | 179.0° | 179.7° |
| C30 | C29 | C28 | H26 | 180.0° | 180.0° |
| C30 | C29 | C28 | H10 | 179.2° | 180.0° |
| C29 | C30 | C31 | H28 | 179.9° | 180.0° |
| C28 | C29 | C30 | H27 | 179.7° | 179.9° |
| H1 | C10 | N11 | H40 | 1.1° | 0.4° |
| H2 | C13 | C14 | H20 | 0.1° | 0.0° |
| H3 | C15 | C14 | H20 | 0.3° | 0.0° |
| H3 | C15 | C16 | H21 | 0.6° | 0.0° |
| H4 | C21 | C22 | H6 | 50.1° | 65.6° |
| H4 | C21 | C22 | H7 | 169.8° | 54.5° |
| H5 | C21 | C22 | H6 | 69.2° | 54.6° |
| H5 | C21 | C22 | H7 | 50.5° | 174.8° |
| H6 | C22 | C23 | H22 | 49.5° | 61.3° |
| H6 | C22 | C23 | H23 | 67.6° | 58.6° |
| H7 | C22 | C23 | H22 | 169.2° | 178.6° |
| H7 | C22 | C23 | H23 | 52.1° | 61.5° |
| H10 | C28 | C29 | H26 | 0.8° | 0.0° |
| H11 | C01 | H12 | H13 | 120.0° | 120.0° |
| H14 | C03 | H15 | H16 | 120.0° | 120.0° |
| H17 | C07 | C08 | H18 | 153.4° | 65.0° |
| H17 | C07 | C08 | H19 | 84.9° | 175.0° |
| H17 | C07 | N06 | H39 | 106.5° | 0.0° |
| H26 | C29 | C30 | H27 | 0.3° | 0.0° |
| H27 | C30 | C31 | H28 | 0.1° | 0.0° |
| H28 | C31 | C32 | H29 | 0.5° | 0.5° |
| H30 | C36 | H31 | H32 | 120.0° | 120.0° |
| H33 | C38 | H34 | H35 | 120.0° | 120.0° |
| H36 | C39 | H37 | H38 | 120.0° | 120.0° |
