A1CEE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F15 | C12 | sing | 1.40Å | 1.36Å | |
| C11 | C12 | sing | 1.51Å | 1.52Å | |
| C11 | C10 | doub | 1.31Å | 1.32Å | |
| F13 | C12 | sing | 1.40Å | 1.39Å | |
| C12 | F14 | sing | 1.40Å | 1.34Å | |
| C10 | C09 | sing | 1.51Å | 1.56Å | |
| C09 | N08 | sing | 1.46Å | 1.48Å | |
| N08 | C07 | sing | 1.35Å | 1.51Å | |
| O16 | C07 | doub | 1.21Å | 1.16Å | |
| C07 | C06 | sing | 1.51Å | 1.59Å | |
| C06 | N05 | sing | 1.47Å | 1.49Å | |
| N05 | C04 | sing | 1.35Å | 1.47Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C19 | C18 | sing | 1.53Å | 1.46Å | |
| C04 | O17 | doub | 1.21Å | 1.18Å | |
| C04 | C03 | sing | 1.51Å | 1.54Å | |
| C20 | N21 | sing | 1.47Å | 1.44Å | |
| C03 | C18 | sing | 1.53Å | 1.54Å | |
| C03 | C02 | sing | 1.53Å | 1.52Å | |
| C18 | C23 | sing | 1.53Å | 1.43Å | |
| C25 | C24 | sing | 1.53Å | 1.60Å | |
| N21 | C24 | sing | 1.47Å | 1.28Å | |
| N21 | C22 | sing | 1.47Å | 1.43Å | |
| C24 | C26 | sing | 1.51Å | 1.64Å | |
| C23 | C22 | sing | 1.53Å | 1.55Å | |
| N01 | C02 | sing | 1.47Å | 1.47Å | |
| C26 | C27 | doub | 1.36Å | 1.47Å | Aromatic |
| C26 | C31 | sing | 1.41Å | 1.47Å | Aromatic |
| C27 | C28 | sing | 1.39Å | 1.39Å | Aromatic |
| C32 | C31 | doub | 1.40Å | 1.43Å | Aromatic |
| C32 | C33 | sing | 1.37Å | 1.44Å | Aromatic |
| C31 | C30 | sing | 1.42Å | 1.40Å | Aromatic |
| C28 | C29 | doub | 1.36Å | 1.43Å | Aromatic |
| O34 | C33 | sing | 1.36Å | 1.39Å | |
| O34 | C35 | sing | 1.43Å | 1.44Å | |
| C33 | C37 | doub | 1.40Å | 1.40Å | Aromatic |
| C30 | C29 | sing | 1.41Å | 1.47Å | Aromatic |
| C30 | C38 | doub | 1.41Å | 1.45Å | Aromatic |
| C35 | C36 | sing | 1.53Å | 1.50Å | |
| C37 | C38 | sing | 1.36Å | 1.42Å | Aromatic |
| C22 | H2 | sing | 1.09Å | 1.10Å | |
| C22 | H3 | sing | 1.09Å | 1.10Å | |
| C24 | H4 | sing | 1.09Å | 1.10Å | |
| C25 | H5 | sing | 1.09Å | 1.10Å | |
| C25 | H6 | sing | 1.09Å | 1.10Å | |
| C25 | H7 | sing | 1.09Å | 1.10Å | |
| C29 | H8 | sing | 1.08Å | 1.08Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C27 | H15 | sing | 1.08Å | 1.08Å | |
| C28 | H16 | sing | 1.08Å | 1.08Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| C32 | H19 | sing | 1.08Å | 1.08Å | |
| C35 | H20 | sing | 1.09Å | 1.10Å | |
| C35 | H21 | sing | 1.09Å | 1.10Å | |
| C36 | H22 | sing | 1.09Å | 1.10Å | |
| C36 | H23 | sing | 1.09Å | 1.10Å | |
| C36 | H24 | sing | 1.09Å | 1.10Å | |
| C37 | H25 | sing | 1.08Å | 1.08Å | |
| C38 | H26 | sing | 1.08Å | 1.08Å | |
| C02 | H27 | sing | 1.09Å | 1.10Å | |
| C02 | H28 | sing | 1.09Å | 1.10Å | |
| C03 | H29 | sing | 1.09Å | 1.10Å | |
| C06 | H30 | sing | 1.09Å | 1.10Å | |
| C06 | H31 | sing | 1.09Å | 1.10Å | |
| C09 | H32 | sing | 1.09Å | 1.10Å | |
| C09 | H33 | sing | 1.09Å | 1.10Å | |
| N01 | H34 | sing | 1.01Å | 1.00Å | |
| N01 | H35 | sing | 1.01Å | 1.00Å | |
| N05 | H37 | sing | 0.97Å | 1.00Å | |
| N08 | H38 | sing | 0.97Å | 1.00Å | |
| C11 | H1 | sing | 1.08Å | 1.08Å | |
| C10 | H9 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F15 | C12 | C11 | 109.0° | 109.4° |
| F15 | C12 | F13 | 108.1° | 109.5° |
| F15 | C12 | F14 | 108.2° | 109.5° |
| C12 | C11 | C10 | 119.1° | 120.0° |
| C11 | C12 | F13 | 109.7° | 109.5° |
| C11 | C12 | F14 | 111.8° | 109.5° |
| C12 | C11 | H1 | 120.5° | 120.0° |
| C11 | C10 | C09 | 118.9° | 120.0° |
| C10 | C11 | H1 | 120.4° | 120.0° |
| C11 | C10 | H9 | 120.6° | 120.0° |
| F13 | C12 | F14 | 110.0° | 109.5° |
| C10 | C09 | N08 | 108.6° | 109.4° |
| C10 | C09 | H32 | 109.7° | 109.4° |
| C10 | C09 | H33 | 109.7° | 109.5° |
| C09 | C10 | H9 | 120.5° | 120.0° |
| C09 | N08 | C07 | 120.3° | 120.0° |
| N08 | C09 | H32 | 109.6° | 109.5° |
| N08 | C09 | H33 | 109.7° | 109.5° |
| C09 | N08 | H38 | 119.8° | 120.1° |
| N08 | C07 | O16 | 118.9° | 120.0° |
| N08 | C07 | C06 | 120.1° | 120.0° |
| C07 | N08 | H38 | 119.9° | 120.0° |
| O16 | C07 | C06 | 121.0° | 120.0° |
| C07 | C06 | N05 | 118.5° | 109.4° |
| C07 | C06 | H30 | 107.2° | 109.5° |
| C07 | C06 | H31 | 107.2° | 109.5° |
| C06 | N05 | C04 | 119.1° | 120.0° |
| N05 | C06 | H30 | 107.2° | 109.4° |
| N05 | C06 | H31 | 107.1° | 109.5° |
| C06 | N05 | H37 | 120.4° | 120.0° |
| N05 | C04 | O17 | 118.2° | 120.0° |
| N05 | C04 | C03 | 120.8° | 120.0° |
| C04 | N05 | H37 | 120.5° | 120.0° |
| C20 | C19 | C18 | 111.3° | 109.3° |
| C19 | C20 | N21 | 112.3° | 109.5° |
| C20 | C19 | H10 | 109.0° | 109.5° |
| C20 | C19 | H11 | 109.0° | 109.5° |
| C19 | C20 | H13 | 108.8° | 109.4° |
| C19 | C20 | H14 | 108.8° | 109.5° |
| C19 | C18 | C03 | 110.9° | 109.5° |
| C19 | C18 | C23 | 112.4° | 109.2° |
| C18 | C19 | H10 | 109.0° | 109.5° |
| C18 | C19 | H11 | 109.0° | 109.5° |
| C19 | C18 | H12 | 107.4° | 109.5° |
| O17 | C04 | C03 | 121.0° | 120.1° |
| C04 | C03 | C18 | 113.3° | 109.5° |
| C04 | C03 | C02 | 107.8° | 109.5° |
| C04 | C03 | H29 | 108.7° | 109.5° |
| C20 | N21 | C24 | 111.2° | 111.0° |
| C20 | N21 | C22 | 110.6° | 111.2° |
| N21 | C20 | H13 | 108.8° | 109.5° |
| N21 | C20 | H14 | 108.8° | 109.5° |
| C18 | C03 | C02 | 109.3° | 109.5° |
| C03 | C18 | C23 | 111.8° | 109.5° |
| C03 | C18 | H12 | 106.4° | 109.5° |
| C18 | C03 | H29 | 108.7° | 109.4° |
| C03 | C02 | N01 | 109.9° | 109.5° |
| C03 | C02 | H27 | 109.4° | 109.5° |
| C03 | C02 | H28 | 109.3° | 109.5° |
| C02 | C03 | H29 | 109.0° | 109.4° |
| C18 | C23 | C22 | 112.1° | 109.2° |
| C23 | C18 | H12 | 107.7° | 109.5° |
| C18 | C23 | H17 | 108.8° | 109.5° |
| C18 | C23 | H18 | 108.8° | 109.5° |
| C25 | C24 | N21 | 110.2° | 109.5° |
| C25 | C24 | C26 | 115.4° | 109.5° |
| C25 | C24 | H4 | 105.6° | 109.5° |
| C24 | C25 | H5 | 109.5° | 109.5° |
| C24 | C25 | H6 | 109.4° | 109.4° |
| C24 | C25 | H7 | 109.5° | 109.5° |
| C24 | N21 | C22 | 114.6° | 111.0° |
| N21 | C24 | C26 | 110.7° | 109.5° |
| N21 | C24 | H4 | 109.6° | 109.4° |
| N21 | C22 | C23 | 112.2° | 109.5° |
| N21 | C22 | H2 | 108.8° | 109.5° |
| N21 | C22 | H3 | 108.8° | 109.5° |
| C24 | C26 | C27 | 114.4° | 120.2° |
| C24 | C26 | C31 | 127.0° | 120.2° |
| C26 | C24 | H4 | 105.1° | 109.5° |
| C23 | C22 | H2 | 108.8° | 109.4° |
| C23 | C22 | H3 | 108.8° | 109.5° |
| C22 | C23 | H17 | 108.8° | 109.5° |
| C22 | C23 | H18 | 108.8° | 109.5° |
| N01 | C02 | H27 | 109.4° | 109.4° |
| N01 | C02 | H28 | 109.4° | 109.4° |
| C02 | N01 | H34 | 109.5° | 110.9° |
| C02 | N01 | H35 | 109.5° | 111.0° |
| C27 | C26 | C31 | 118.6° | 119.7° |
| C26 | C27 | C28 | 121.7° | 121.0° |
| C26 | C27 | H15 | 119.2° | 119.5° |
| C26 | C31 | C32 | 123.2° | 121.2° |
| C26 | C31 | C30 | 119.3° | 119.3° |
| C27 | C28 | C29 | 119.4° | 121.1° |
| C28 | C27 | H15 | 119.1° | 119.5° |
| C27 | C28 | H16 | 120.3° | 119.5° |
| C31 | C32 | C33 | 121.3° | 119.6° |
| C32 | C31 | C30 | 117.5° | 119.4° |
| C31 | C32 | H19 | 119.4° | 120.2° |
| C32 | C33 | O34 | 121.1° | 119.6° |
| C32 | C33 | C37 | 120.3° | 120.8° |
| C33 | C32 | H19 | 119.3° | 120.1° |
| C31 | C30 | C29 | 120.7° | 119.3° |
| C31 | C30 | C38 | 121.5° | 119.4° |
| C28 | C29 | C30 | 120.4° | 119.6° |
| C28 | C29 | H8 | 119.8° | 120.2° |
| C29 | C28 | H16 | 120.3° | 119.5° |
| C33 | O34 | C35 | 115.7° | 117.0° |
| O34 | C33 | C37 | 118.7° | 119.6° |
| O34 | C35 | C36 | 107.4° | 109.5° |
| O34 | C35 | H20 | 110.0° | 109.5° |
| O34 | C35 | H21 | 110.0° | 109.5° |
| C33 | C37 | C38 | 119.3° | 121.0° |
| C33 | C37 | H25 | 120.4° | 119.5° |
| C29 | C30 | C38 | 117.8° | 121.2° |
| C30 | C29 | H8 | 119.8° | 120.2° |
| C30 | C38 | C37 | 120.1° | 119.7° |
| C30 | C38 | H26 | 120.0° | 120.1° |
| C36 | C35 | H20 | 110.0° | 109.5° |
| C36 | C35 | H21 | 110.0° | 109.5° |
| C35 | C36 | H22 | 109.5° | 109.5° |
| C35 | C36 | H23 | 109.5° | 109.5° |
| C35 | C36 | H24 | 109.4° | 109.4° |
| C38 | C37 | H25 | 120.3° | 119.5° |
| C37 | C38 | H26 | 120.0° | 120.1° |
| H2 | C22 | H3 | 109.4° | 109.5° |
| H5 | C25 | H6 | 109.5° | 109.5° |
| H5 | C25 | H7 | 109.4° | 109.5° |
| H6 | C25 | H7 | 109.5° | 109.5° |
| H10 | C19 | H11 | 109.5° | 109.6° |
| H13 | C20 | H14 | 109.4° | 109.4° |
| H17 | C23 | H18 | 109.4° | 109.6° |
| H20 | C35 | H21 | 109.5° | 109.4° |
| H22 | C36 | H23 | 109.5° | 109.5° |
| H22 | C36 | H24 | 109.5° | 109.5° |
| H23 | C36 | H24 | 109.5° | 109.5° |
| H27 | C02 | H28 | 109.4° | 109.5° |
| H30 | C06 | H31 | 109.5° | 109.5° |
| H32 | C09 | H33 | 109.5° | 109.5° |
| H34 | N01 | H35 | 109.4° | 111.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F15 | C12 | C11 | F13 | 118.2° | 120.0° |
| F15 | C12 | C11 | F14 | 119.5° | 120.0° |
| F15 | C12 | C11 | C10 | 177.5° | 174.1° |
| F15 | C12 | F13 | F14 | 117.9° | 120.0° |
| F15 | C12 | C11 | H1 | 2.5° | 6.1° |
| C12 | C11 | C10 | H1 | 180.0° | 179.7° |
| C11 | C12 | F13 | F14 | 123.4° | 120.0° |
| C12 | C11 | C10 | C09 | 0.1° | 5.2° |
| C12 | C11 | C10 | H9 | 179.9° | 174.9° |
| C10 | C11 | C12 | F13 | 64.3° | 65.9° |
| C10 | C11 | C12 | F14 | 58.0° | 54.1° |
| C11 | C10 | C09 | H9 | 180.0° | 179.9° |
| C11 | C10 | C09 | N08 | 104.3° | 124.2° |
| C11 | C10 | C09 | H32 | 15.5° | 115.9° |
| C11 | C10 | C09 | H33 | 135.8° | 4.1° |
| F13 | C12 | C11 | H1 | 115.6° | 113.9° |
| F14 | C12 | C11 | H1 | 122.0° | 126.1° |
| C10 | C09 | N08 | H32 | 119.9° | 119.9° |
| C10 | C09 | N08 | H33 | 119.9° | 120.0° |
| C10 | C09 | N08 | C07 | 76.8° | 180.0° |
| C10 | C09 | H32 | H33 | 120.4° | 120.0° |
| C10 | C09 | N08 | H38 | 103.2° | 0.0° |
| C09 | C10 | C11 | H1 | 179.9° | 174.6° |
| C09 | N08 | C07 | H38 | 180.0° | 180.0° |
| C09 | N08 | C07 | O16 | 0.5° | 0.0° |
| C09 | N08 | C07 | C06 | 179.9° | 180.0° |
| N08 | C09 | H32 | H33 | 120.4° | 120.1° |
| N08 | C09 | C10 | H9 | 75.7° | 55.8° |
| N08 | C07 | O16 | C06 | 179.3° | 180.0° |
| N08 | C07 | C06 | N05 | 161.8° | 180.0° |
| N08 | C07 | C06 | H30 | 76.9° | 60.1° |
| N08 | C07 | C06 | H31 | 40.5° | 60.0° |
| C07 | N08 | C09 | H32 | 163.3° | 60.1° |
| C07 | N08 | C09 | H33 | 43.1° | 60.0° |
| O16 | C07 | C06 | N05 | 17.5° | 0.0° |
| O16 | C07 | C06 | H30 | 103.8° | 120.0° |
| O16 | C07 | C06 | H31 | 138.8° | 120.0° |
| O16 | C07 | N08 | H38 | 179.4° | 180.0° |
| C07 | C06 | N05 | H30 | 121.3° | 120.0° |
| C07 | C06 | N05 | H31 | 121.3° | 120.0° |
| C07 | C06 | N05 | C04 | 154.0° | 180.0° |
| C07 | C06 | H30 | H31 | 115.9° | 120.1° |
| C07 | C06 | N05 | H37 | 26.0° | 0.0° |
| C06 | C07 | N08 | H38 | 0.1° | 0.0° |
| C06 | N05 | C04 | H37 | 180.0° | 180.0° |
| C06 | N05 | C04 | O17 | 1.1° | 0.0° |
| C06 | N05 | C04 | C03 | 179.8° | 180.0° |
| N05 | C06 | H30 | H31 | 115.9° | 120.0° |
| N05 | C04 | O17 | C03 | 179.1° | 180.0° |
| N05 | C04 | C03 | C18 | 82.8° | 180.0° |
| N05 | C04 | C03 | C02 | 156.2° | 60.0° |
| N05 | C04 | C03 | H29 | 38.2° | 60.0° |
| C04 | N05 | C06 | H30 | 84.7° | 60.0° |
| C04 | N05 | C06 | H31 | 32.7° | 60.0° |
| C20 | C19 | C18 | H10 | 120.2° | 120.0° |
| C20 | C19 | C18 | H11 | 120.3° | 119.9° |
| C19 | C20 | N21 | H13 | 120.4° | 120.0° |
| C19 | C20 | N21 | H14 | 120.4° | 120.0° |
| C20 | C19 | C18 | C03 | 177.9° | 177.5° |
| C20 | C19 | C18 | C23 | 52.0° | 57.6° |
| C19 | C20 | N21 | C24 | 175.2° | 174.2° |
| C19 | C20 | N21 | C22 | 56.2° | 61.7° |
| C20 | C19 | H10 | H11 | 119.2° | 120.1° |
| C20 | C19 | C18 | H12 | 66.2° | 62.3° |
| C19 | C20 | H13 | H14 | 118.7° | 119.9° |
| C19 | C18 | C03 | C04 | 5.0° | 180.0° |
| C18 | C19 | C20 | N21 | 54.5° | 59.1° |
| C19 | C18 | C03 | C23 | 126.2° | 119.7° |
| C19 | C18 | C03 | H12 | 116.5° | 120.2° |
| C19 | C18 | C03 | C02 | 125.2° | 60.0° |
| C19 | C18 | C23 | H12 | 118.1° | 119.9° |
| C19 | C18 | C23 | C22 | 51.3° | 57.7° |
| C18 | C19 | H10 | H11 | 119.2° | 120.1° |
| C18 | C19 | C20 | H13 | 65.9° | 60.9° |
| C18 | C19 | C20 | H14 | 175.0° | 179.2° |
| C19 | C18 | C23 | H17 | 69.1° | 177.6° |
| C19 | C18 | C23 | H18 | 171.7° | 62.3° |
| C19 | C18 | C03 | H29 | 116.0° | 60.0° |
| O17 | C04 | C03 | C18 | 98.1° | 0.0° |
| O17 | C04 | C03 | C02 | 22.9° | 120.0° |
| O17 | C04 | C03 | H29 | 140.9° | 120.0° |
| O17 | C04 | N05 | H37 | 178.9° | 180.0° |
| C04 | C03 | C18 | C02 | 120.2° | 120.0° |
| C04 | C03 | C18 | H29 | 121.0° | 120.0° |
| C04 | C03 | C02 | H29 | 117.8° | 120.1° |
| C04 | C03 | C18 | C23 | 121.2° | 60.3° |
| C04 | C03 | C02 | N01 | 48.2° | 65.0° |
| C04 | C03 | C18 | H12 | 121.5° | 59.8° |
| C04 | C03 | C02 | H27 | 168.3° | 175.0° |
| C04 | C03 | C02 | H28 | 71.9° | 55.0° |
| C03 | C04 | N05 | H37 | 0.2° | 0.0° |
| C20 | N21 | C24 | C25 | 71.5° | 175.2° |
| C20 | N21 | C24 | C22 | 126.4° | 124.2° |
| C20 | N21 | C24 | C26 | 159.7° | 64.8° |
| C20 | N21 | C22 | C23 | 55.0° | 61.8° |
| C20 | N21 | C22 | H2 | 65.4° | 178.3° |
| C20 | N21 | C22 | H3 | 175.4° | 58.3° |
| C20 | N21 | C24 | H4 | 44.2° | 55.2° |
| N21 | C20 | C19 | H10 | 65.7° | 179.1° |
| N21 | C20 | C19 | H11 | 174.8° | 60.8° |
| N21 | C20 | H13 | H14 | 118.7° | 120.0° |
| C18 | C03 | C02 | H29 | 118.6° | 119.9° |
| C03 | C18 | C23 | H12 | 116.6° | 120.1° |
| C03 | C18 | C23 | C22 | 176.7° | 177.6° |
| C18 | C03 | C02 | N01 | 171.7° | 175.0° |
| C03 | C18 | C19 | H10 | 57.7° | 62.5° |
| C03 | C18 | C19 | H11 | 61.8° | 57.7° |
| C03 | C18 | C23 | H17 | 56.3° | 62.5° |
| C03 | C18 | C23 | H18 | 62.9° | 57.7° |
| C18 | C03 | C02 | H27 | 68.2° | 55.0° |
| C18 | C03 | C02 | H28 | 51.6° | 65.0° |
| C02 | C03 | C18 | C23 | 1.0° | 179.7° |
| C03 | C02 | N01 | H27 | 120.1° | 120.0° |
| C03 | C02 | N01 | H28 | 120.1° | 120.0° |
| C02 | C03 | C18 | H12 | 118.3° | 60.2° |
| C03 | C02 | H27 | H28 | 119.8° | 120.0° |
| C03 | C02 | N01 | H34 | 180.0° | 56.0° |
| C03 | C02 | N01 | H35 | 60.0° | 180.0° |
| C18 | C23 | C22 | N21 | 53.3° | 59.2° |
| C18 | C23 | C22 | H17 | 120.4° | 119.9° |
| C18 | C23 | C22 | H18 | 120.4° | 119.9° |
| C18 | C23 | C22 | H2 | 67.1° | 179.2° |
| C18 | C23 | C22 | H3 | 173.7° | 60.8° |
| C23 | C18 | C19 | H10 | 68.2° | 177.6° |
| C23 | C18 | C19 | H11 | 172.3° | 62.2° |
| C18 | C23 | H17 | H18 | 118.8° | 120.1° |
| C23 | C18 | C03 | H29 | 117.8° | 59.8° |
| C25 | C24 | N21 | C26 | 128.8° | 120.0° |
| C25 | C24 | N21 | H4 | 115.7° | 120.0° |
| C25 | C24 | N21 | C22 | 54.8° | 51.0° |
| C25 | C24 | C26 | H4 | 115.8° | 120.0° |
| C25 | C24 | C26 | C27 | 167.0° | 93.3° |
| C25 | C24 | C26 | C31 | 13.7° | 86.4° |
| C24 | C25 | H5 | H6 | 120.0° | 119.9° |
| C24 | C25 | H5 | H7 | 120.0° | 120.1° |
| C24 | C25 | H6 | H7 | 120.0° | 120.0° |
| N21 | C24 | C26 | H4 | 118.2° | 120.0° |
| C24 | N21 | C22 | C23 | 178.4° | 174.1° |
| N21 | C24 | C26 | C27 | 67.0° | 26.7° |
| N21 | C24 | C26 | C31 | 112.2° | 153.6° |
| C24 | N21 | C22 | H2 | 61.2° | 54.2° |
| C24 | N21 | C22 | H3 | 57.9° | 65.9° |
| N21 | C24 | C25 | H5 | 180.0° | 60.0° |
| N21 | C24 | C25 | H6 | 60.0° | 180.0° |
| N21 | C24 | C25 | H7 | 60.0° | 60.0° |
| C24 | N21 | C20 | H13 | 64.3° | 65.9° |
| C24 | N21 | C20 | H14 | 54.8° | 54.1° |
| C22 | N21 | C24 | C26 | 74.0° | 171.0° |
| N21 | C22 | C23 | H2 | 120.4° | 120.0° |
| N21 | C22 | C23 | H3 | 120.4° | 120.0° |
| N21 | C22 | H2 | H3 | 118.7° | 120.0° |
| C22 | N21 | C24 | H4 | 170.6° | 69.0° |
| C22 | N21 | C20 | H13 | 64.2° | 58.3° |
| C22 | N21 | C20 | H14 | 176.7° | 178.2° |
| N21 | C22 | C23 | H17 | 67.1° | 179.1° |
| N21 | C22 | C23 | H18 | 173.7° | 60.7° |
| C24 | C26 | C27 | C31 | 179.3° | 179.7° |
| C24 | C26 | C27 | C28 | 179.1° | 180.0° |
| C24 | C26 | C31 | C32 | 1.0° | 0.3° |
| C24 | C26 | C31 | C30 | 179.5° | 180.0° |
| C26 | C24 | C25 | H5 | 53.8° | 180.0° |
| C26 | C24 | C25 | H6 | 66.2° | 60.0° |
| C26 | C24 | C25 | H7 | 173.8° | 60.0° |
| C24 | C26 | C27 | H15 | 1.0° | 0.0° |
| C23 | C22 | H2 | H3 | 118.7° | 119.9° |
| C22 | C23 | C18 | H12 | 66.8° | 62.3° |
| C22 | C23 | H17 | H18 | 118.8° | 120.2° |
| N01 | C02 | H27 | H28 | 119.8° | 119.9° |
| N01 | C02 | C03 | H29 | 69.7° | 55.0° |
| C02 | N01 | H34 | H35 | 120.0° | 124.0° |
| C26 | C27 | C28 | H15 | 180.0° | 180.0° |
| C27 | C26 | C31 | C32 | 179.8° | 180.0° |
| C27 | C26 | C31 | C30 | 0.3° | 0.3° |
| C26 | C27 | C28 | C29 | 0.4° | 0.0° |
| C27 | C26 | C24 | H4 | 51.2° | 146.7° |
| C26 | C27 | C28 | H16 | 179.7° | 180.0° |
| C31 | C26 | C27 | C28 | 0.2° | 0.3° |
| C26 | C31 | C32 | C30 | 179.5° | 179.7° |
| C26 | C31 | C32 | C33 | 179.6° | 180.0° |
| C26 | C31 | C30 | C29 | 0.7° | 0.0° |
| C26 | C31 | C30 | C38 | 179.2° | 180.0° |
| C31 | C26 | C24 | H4 | 129.6° | 33.6° |
| C31 | C26 | C27 | H15 | 179.7° | 179.7° |
| C26 | C31 | C32 | H19 | 0.4° | 0.1° |
| C27 | C28 | C29 | H16 | 180.0° | 180.0° |
| C27 | C28 | C29 | C30 | 0.0° | 0.3° |
| C27 | C28 | C29 | H8 | 180.0° | 179.9° |
| C31 | C32 | C33 | H19 | 180.0° | 179.9° |
| C31 | C32 | C33 | O34 | 179.2° | 179.7° |
| C31 | C32 | C33 | C37 | 0.1° | 0.1° |
| C32 | C31 | C30 | C29 | 179.7° | 179.7° |
| C32 | C31 | C30 | C38 | 0.4° | 0.3° |
| C33 | C32 | C31 | C30 | 0.1° | 0.2° |
| C32 | C33 | O34 | C37 | 179.3° | 179.7° |
| C32 | C33 | O34 | C35 | 89.0° | 179.7° |
| C32 | C33 | C37 | C38 | 0.7° | 0.3° |
| C32 | C33 | C37 | H25 | 179.3° | 179.9° |
| C31 | C30 | C29 | C28 | 0.6° | 0.3° |
| C31 | C30 | C29 | C38 | 179.9° | 180.0° |
| C31 | C30 | C38 | C37 | 1.0° | 0.1° |
| C31 | C30 | C29 | H8 | 179.4° | 179.9° |
| C30 | C31 | C32 | H19 | 179.9° | 179.7° |
| C31 | C30 | C38 | H26 | 179.0° | 180.0° |
| C28 | C29 | C30 | H8 | 180.0° | 179.6° |
| C28 | C29 | C30 | C38 | 179.3° | 179.7° |
| C29 | C28 | C27 | H15 | 179.6° | 180.0° |
| C33 | O34 | C35 | C36 | 166.7° | 180.0° |
| O34 | C33 | C37 | C38 | 178.5° | 180.0° |
| O34 | C33 | C32 | H19 | 0.9° | 0.4° |
| C33 | O34 | C35 | H20 | 47.0° | 60.0° |
| C33 | O34 | C35 | H21 | 73.6° | 60.0° |
| O34 | C33 | C37 | H25 | 1.4° | 0.3° |
| C35 | O34 | C33 | C37 | 91.7° | 0.0° |
| O34 | C35 | C36 | H20 | 119.7° | 120.0° |
| O34 | C35 | C36 | H21 | 119.7° | 120.0° |
| O34 | C35 | H20 | H21 | 120.9° | 120.0° |
| O34 | C35 | C36 | H22 | 180.0° | 60.0° |
| O34 | C35 | C36 | H23 | 60.0° | 180.0° |
| O34 | C35 | C36 | H24 | 60.0° | 60.0° |
| C33 | C37 | C38 | C30 | 1.2° | 0.3° |
| C33 | C37 | C38 | H25 | 180.0° | 179.7° |
| C37 | C33 | C32 | H19 | 179.9° | 180.0° |
| C33 | C37 | C38 | H26 | 178.9° | 179.7° |
| C29 | C30 | C38 | C37 | 179.1° | 180.0° |
| C30 | C29 | C28 | H16 | 179.9° | 179.7° |
| C29 | C30 | C38 | H26 | 0.9° | 0.0° |
| C30 | C38 | C37 | H26 | 180.0° | 180.0° |
| C38 | C30 | C29 | H8 | 0.7° | 0.0° |
| C30 | C38 | C37 | H25 | 178.8° | 180.0° |
| C36 | C35 | H20 | H21 | 121.0° | 120.0° |
| C35 | C36 | H22 | H23 | 120.0° | 120.0° |
| C35 | C36 | H22 | H24 | 120.0° | 120.0° |
| C35 | C36 | H23 | H24 | 120.0° | 120.0° |
| H2 | C22 | C23 | H17 | 172.4° | 60.9° |
| H2 | C22 | C23 | H18 | 53.3° | 59.3° |
| H3 | C22 | C23 | H17 | 53.3° | 59.0° |
| H3 | C22 | C23 | H18 | 65.9° | 179.3° |
| H4 | C24 | C25 | H5 | 61.8° | 59.9° |
| H4 | C24 | C25 | H6 | 178.2° | 60.0° |
| H4 | C24 | C25 | H7 | 58.2° | 180.0° |
| H5 | C25 | H6 | H7 | 120.0° | 120.0° |
| H8 | C29 | C28 | H16 | 0.1° | 0.1° |
| H10 | C19 | C18 | H12 | 173.5° | 57.7° |
| H10 | C19 | C20 | H13 | 173.8° | 59.1° |
| H10 | C19 | C20 | H14 | 54.7° | 60.8° |
| H11 | C19 | C18 | H12 | 54.0° | 177.8° |
| H11 | C19 | C20 | H13 | 54.3° | 179.2° |
| H11 | C19 | C20 | H14 | 64.8° | 59.3° |
| H12 | C18 | C23 | H17 | 172.8° | 57.6° |
| H12 | C18 | C23 | H18 | 53.6° | 177.8° |
| H12 | C18 | C03 | H29 | 0.5° | 179.9° |
| H15 | C27 | C28 | H16 | 0.4° | 0.0° |
| H20 | C35 | C36 | H22 | 60.3° | 180.0° |
| H20 | C35 | C36 | H23 | 179.7° | 60.0° |
| H20 | C35 | C36 | H24 | 59.7° | 60.0° |
| H21 | C35 | C36 | H22 | 60.3° | 60.0° |
| H21 | C35 | C36 | H23 | 59.7° | 60.0° |
| H21 | C35 | C36 | H24 | 179.7° | 180.0° |
| H22 | C36 | H23 | H24 | 120.0° | 120.0° |
| H25 | C37 | C38 | H26 | 1.1° | 0.0° |
| H27 | C02 | C03 | H29 | 50.4° | 64.9° |
| H27 | C02 | N01 | H34 | 60.0° | 64.0° |
| H27 | C02 | N01 | H35 | 179.9° | 60.0° |
| H28 | C02 | C03 | H29 | 170.2° | 175.1° |
| H28 | C02 | N01 | H34 | 59.9° | 176.0° |
| H28 | C02 | N01 | H35 | 60.1° | 60.0° |
| H30 | C06 | N05 | H37 | 95.3° | 120.0° |
| H31 | C06 | N05 | H37 | 147.3° | 120.0° |
| H32 | C09 | N08 | H38 | 16.6° | 120.0° |
| H32 | C09 | C10 | H9 | 164.5° | 64.2° |
| H33 | C09 | N08 | H38 | 136.9° | 120.0° |
| H33 | C09 | C10 | H9 | 44.2° | 175.8° |
| H1 | C11 | C10 | H9 | 0.1° | 5.3° |
