Y56
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | N02 | sing | 1.47Å | 1.51Å | |
| N02 | C44 | sing | 1.47Å | 1.43Å | |
| N02 | C03 | sing | 1.47Å | 1.45Å | |
| C04 | C03 | sing | 1.53Å | 1.56Å | |
| C04 | C05 | sing | 1.53Å | 1.56Å | |
| O43 | C06 | doub | 1.21Å | 1.18Å | |
| C05 | C06 | sing | 1.51Å | 1.58Å | |
| C06 | N07 | sing | 1.35Å | 1.50Å | |
| N07 | C08 | sing | 1.39Å | 1.46Å | |
| C08 | C42 | doub | 1.39Å | 1.41Å | Aromatic |
| C08 | C09 | sing | 1.39Å | 1.38Å | Aromatic |
| C42 | C41 | sing | 1.38Å | 1.39Å | Aromatic |
| C09 | C10 | doub | 1.38Å | 1.43Å | Aromatic |
| C41 | C11 | doub | 1.40Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.40Å | 1.40Å | Aromatic |
| C11 | C12 | sing | 1.48Å | 1.53Å | |
| C12 | O40 | doub | 1.22Å | 1.20Å | |
| C12 | N13 | sing | 1.35Å | 1.49Å | |
| C27 | C26 | sing | 1.40Å | 1.41Å | Aromatic |
| C27 | C28 | doub | 1.35Å | 1.42Å | Aromatic |
| N13 | C14 | sing | 1.47Å | 1.54Å | |
| N13 | C39 | sing | 1.47Å | 1.58Å | |
| C26 | C25 | doub | 1.36Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.55Å | 1.35Å | |
| C28 | N29 | sing | 1.36Å | 1.35Å | Aromatic |
| C25 | C24 | sing | 1.40Å | 1.44Å | Aromatic |
| C39 | C16 | sing | 1.54Å | 1.30Å | |
| C15 | C16 | sing | 1.55Å | 1.64Å | |
| C16 | N17 | sing | 1.47Å | 1.51Å | |
| N29 | C24 | sing | 1.37Å | 1.32Å | Aromatic |
| N29 | N30 | sing | 1.40Å | 1.38Å | Aromatic |
| C24 | C23 | doub | 1.40Å | 1.46Å | Aromatic |
| N30 | C31 | doub | 1.32Å | 1.32Å | Aromatic |
| N17 | C18 | sing | 1.38Å | 1.50Å | |
| C23 | C22 | sing | 1.48Å | 1.54Å | |
| C23 | C31 | sing | 1.41Å | 1.46Å | Aromatic |
| N38 | C18 | doub | 1.32Å | 1.33Å | Aromatic |
| N38 | C22 | sing | 1.33Å | 1.33Å | Aromatic |
| C18 | N19 | sing | 1.32Å | 1.36Å | Aromatic |
| C22 | C21 | doub | 1.40Å | 1.42Å | Aromatic |
| C31 | C32 | sing | 1.48Å | 1.51Å | |
| N19 | C20 | doub | 1.33Å | 1.35Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.40Å | Aromatic |
| C32 | C37 | doub | 1.39Å | 1.39Å | Aromatic |
| C32 | C33 | sing | 1.39Å | 1.42Å | Aromatic |
| C37 | C36 | sing | 1.38Å | 1.39Å | Aromatic |
| C33 | C34 | doub | 1.38Å | 1.39Å | Aromatic |
| C36 | C35 | doub | 1.38Å | 1.43Å | Aromatic |
| C34 | C35 | sing | 1.38Å | 1.40Å | Aromatic |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.09Å | 1.10Å | |
| C03 | H5 | sing | 1.09Å | 1.10Å | |
| C04 | H6 | sing | 1.09Å | 1.10Å | |
| C04 | H7 | sing | 1.09Å | 1.10Å | |
| C05 | H8 | sing | 1.09Å | 1.10Å | |
| C05 | H9 | sing | 1.09Å | 1.10Å | |
| C09 | H10 | sing | 1.08Å | 1.08Å | |
| C10 | H11 | sing | 1.08Å | 1.08Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.08Å | 1.08Å | |
| C21 | H18 | sing | 1.08Å | 1.08Å | |
| C25 | H19 | sing | 1.08Å | 1.08Å | |
| C26 | H20 | sing | 1.08Å | 1.08Å | |
| C27 | H21 | sing | 1.08Å | 1.08Å | |
| C28 | H22 | sing | 1.08Å | 1.08Å | |
| C33 | H23 | sing | 1.08Å | 1.08Å | |
| C34 | H24 | sing | 1.08Å | 1.08Å | |
| C35 | H25 | sing | 1.08Å | 1.08Å | |
| C36 | H26 | sing | 1.08Å | 1.08Å | |
| C37 | H27 | sing | 1.08Å | 1.08Å | |
| C39 | H28 | sing | 1.09Å | 1.10Å | |
| C39 | H29 | sing | 1.09Å | 1.10Å | |
| C41 | H30 | sing | 1.08Å | 1.08Å | |
| C42 | H31 | sing | 1.08Å | 1.08Å | |
| C44 | H32 | sing | 1.09Å | 1.10Å | |
| C44 | H33 | sing | 1.09Å | 1.10Å | |
| C44 | H34 | sing | 1.09Å | 1.10Å | |
| N07 | H36 | sing | 0.97Å | 1.00Å | |
| N17 | H37 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | N02 | C44 | 109.9° | 111.0° |
| C01 | N02 | C03 | 109.6° | 111.0° |
| N02 | C01 | H1 | 109.5° | 109.4° |
| N02 | C01 | H2 | 109.5° | 109.5° |
| N02 | C01 | H3 | 109.5° | 109.5° |
| C44 | N02 | C03 | 107.6° | 111.0° |
| N02 | C44 | H32 | 109.5° | 109.5° |
| N02 | C44 | H33 | 109.4° | 109.4° |
| N02 | C44 | H34 | 109.5° | 109.5° |
| N02 | C03 | C04 | 110.0° | 109.5° |
| N02 | C03 | H4 | 109.3° | 109.5° |
| N02 | C03 | H5 | 109.3° | 109.5° |
| C03 | C04 | C05 | 113.1° | 109.4° |
| C04 | C03 | H4 | 109.3° | 109.5° |
| C04 | C03 | H5 | 109.3° | 109.5° |
| C03 | C04 | H6 | 108.5° | 109.5° |
| C03 | C04 | H7 | 108.5° | 109.5° |
| C04 | C05 | C06 | 110.7° | 109.4° |
| C05 | C04 | H6 | 108.6° | 109.5° |
| C05 | C04 | H7 | 108.6° | 109.5° |
| C04 | C05 | H8 | 109.1° | 109.5° |
| C04 | C05 | H9 | 109.2° | 109.5° |
| O43 | C06 | C05 | 117.8° | 120.0° |
| O43 | C06 | N07 | 116.3° | 120.0° |
| C05 | C06 | N07 | 125.9° | 120.0° |
| C06 | C05 | H8 | 109.2° | 109.5° |
| C06 | C05 | H9 | 109.1° | 109.5° |
| C06 | N07 | C08 | 127.8° | 120.0° |
| C06 | N07 | H36 | 116.1° | 120.0° |
| N07 | C08 | C42 | 120.1° | 119.9° |
| N07 | C08 | C09 | 120.3° | 119.9° |
| C08 | N07 | H36 | 116.1° | 120.0° |
| C42 | C08 | C09 | 119.6° | 120.2° |
| C08 | C42 | C41 | 118.4° | 120.0° |
| C08 | C42 | H31 | 120.8° | 120.0° |
| C08 | C09 | C10 | 121.6° | 120.1° |
| C08 | C09 | H10 | 119.2° | 120.0° |
| C42 | C41 | C11 | 123.2° | 119.9° |
| C42 | C41 | H30 | 118.4° | 120.0° |
| C41 | C42 | H31 | 120.8° | 119.9° |
| C09 | C10 | C11 | 117.9° | 119.9° |
| C10 | C09 | H10 | 119.2° | 120.0° |
| C09 | C10 | H11 | 121.0° | 120.0° |
| C41 | C11 | C10 | 119.3° | 119.9° |
| C41 | C11 | C12 | 113.1° | 120.0° |
| C11 | C41 | H30 | 118.4° | 120.1° |
| C10 | C11 | C12 | 127.6° | 120.1° |
| C11 | C10 | H11 | 121.1° | 120.1° |
| C11 | C12 | O40 | 115.7° | 120.0° |
| C11 | C12 | N13 | 125.9° | 120.0° |
| O40 | C12 | N13 | 118.2° | 120.0° |
| C12 | N13 | C14 | 132.2° | 125.6° |
| C12 | N13 | C39 | 124.6° | 125.7° |
| C26 | C27 | C28 | 119.5° | 120.4° |
| C27 | C26 | C25 | 118.8° | 119.4° |
| C27 | C26 | H20 | 120.6° | 120.3° |
| C26 | C27 | H21 | 120.2° | 119.8° |
| C27 | C28 | N29 | 120.0° | 120.6° |
| C28 | C27 | H21 | 120.2° | 119.7° |
| C27 | C28 | H22 | 120.0° | 119.7° |
| C14 | N13 | C39 | 103.2° | 108.7° |
| N13 | C14 | C15 | 105.8° | 104.8° |
| N13 | C14 | H12 | 110.4° | 110.4° |
| N13 | C14 | H13 | 110.4° | 110.5° |
| N13 | C39 | C16 | 101.7° | 107.3° |
| N13 | C39 | H28 | 111.3° | 109.9° |
| N13 | C39 | H29 | 111.4° | 110.0° |
| C26 | C25 | C24 | 118.5° | 119.3° |
| C26 | C25 | H19 | 120.8° | 120.3° |
| C25 | C26 | H20 | 120.6° | 120.3° |
| C14 | C15 | C16 | 106.2° | 101.6° |
| C15 | C14 | H12 | 110.4° | 110.4° |
| C15 | C14 | H13 | 110.4° | 110.4° |
| C14 | C15 | H14 | 110.3° | 111.0° |
| C14 | C15 | H15 | 110.3° | 111.0° |
| C28 | N29 | C24 | 122.0° | 120.1° |
| C28 | N29 | N30 | 129.2° | 131.9° |
| N29 | C28 | H22 | 120.0° | 119.6° |
| C25 | C24 | N29 | 121.2° | 120.1° |
| C25 | C24 | C23 | 130.4° | 132.7° |
| C24 | C25 | H19 | 120.8° | 120.4° |
| C39 | C16 | C15 | 103.1° | 103.0° |
| C39 | C16 | N17 | 110.0° | 110.7° |
| C39 | C16 | H16 | 113.0° | 110.8° |
| C16 | C39 | H28 | 111.4° | 109.9° |
| C16 | C39 | H29 | 111.4° | 109.9° |
| C15 | C16 | N17 | 113.0° | 110.7° |
| C16 | C15 | H14 | 110.3° | 111.1° |
| C16 | C15 | H15 | 110.3° | 111.0° |
| C15 | C16 | H16 | 108.0° | 110.8° |
| C16 | N17 | C18 | 118.4° | 120.0° |
| N17 | C16 | H16 | 109.6° | 110.6° |
| C16 | N17 | H37 | 107.2° | 119.9° |
| C24 | N29 | N30 | 108.8° | 108.0° |
| N29 | C24 | C23 | 108.5° | 107.1° |
| N29 | N30 | C31 | 111.9° | 109.3° |
| C24 | C23 | C22 | 127.7° | 126.5° |
| C24 | C23 | C31 | 103.8° | 107.0° |
| N30 | C31 | C23 | 107.0° | 108.5° |
| N30 | C31 | C32 | 123.6° | 125.7° |
| N17 | C18 | N38 | 118.3° | 119.1° |
| N17 | C18 | N19 | 119.6° | 119.1° |
| C18 | N17 | H37 | 107.2° | 120.1° |
| C22 | C23 | C31 | 128.4° | 126.5° |
| C23 | C22 | N38 | 120.8° | 120.6° |
| C23 | C22 | C21 | 121.4° | 120.6° |
| C23 | C31 | C32 | 129.3° | 125.8° |
| C18 | N38 | C22 | 121.8° | 120.6° |
| N38 | C18 | N19 | 122.1° | 121.7° |
| N38 | C22 | C21 | 117.8° | 118.9° |
| C18 | N19 | C20 | 120.1° | 121.0° |
| C22 | C21 | C20 | 119.7° | 118.5° |
| C22 | C21 | H18 | 120.1° | 120.8° |
| C31 | C32 | C37 | 121.1° | 120.1° |
| C31 | C32 | C33 | 118.1° | 120.1° |
| N19 | C20 | C21 | 118.6° | 119.3° |
| N19 | C20 | H17 | 120.7° | 120.3° |
| C21 | C20 | H17 | 120.7° | 120.3° |
| C20 | C21 | H18 | 120.1° | 120.7° |
| C37 | C32 | C33 | 120.6° | 119.8° |
| C32 | C37 | C36 | 119.5° | 119.8° |
| C32 | C37 | H27 | 120.2° | 120.1° |
| C32 | C33 | C34 | 119.9° | 119.9° |
| C32 | C33 | H23 | 120.0° | 120.1° |
| C37 | C36 | C35 | 120.1° | 120.1° |
| C37 | C36 | H26 | 119.9° | 119.9° |
| C36 | C37 | H27 | 120.3° | 120.1° |
| C33 | C34 | C35 | 119.8° | 120.1° |
| C34 | C33 | H23 | 120.1° | 120.0° |
| C33 | C34 | H24 | 120.1° | 119.9° |
| C36 | C35 | C34 | 120.0° | 120.3° |
| C36 | C35 | H25 | 120.0° | 119.9° |
| C35 | C36 | H26 | 119.9° | 119.9° |
| C35 | C34 | H24 | 120.1° | 119.9° |
| C34 | C35 | H25 | 120.0° | 119.8° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.4° | 109.5° |
| H4 | C03 | H5 | 109.5° | 109.5° |
| H6 | C04 | H7 | 109.5° | 109.5° |
| H8 | C05 | H9 | 109.5° | 109.5° |
| H12 | C14 | H13 | 109.5° | 110.3° |
| H14 | C15 | H15 | 109.5° | 110.9° |
| H28 | C39 | H29 | 109.5° | 109.9° |
| H32 | C44 | H33 | 109.5° | 109.5° |
| H32 | C44 | H34 | 109.4° | 109.5° |
| H33 | C44 | H34 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | N02 | C44 | C03 | 119.3° | 124.0° |
| C01 | N02 | C03 | C04 | 61.8° | 66.0° |
| N02 | C01 | H1 | H2 | 120.0° | 120.0° |
| N02 | C01 | H1 | H3 | 120.0° | 120.0° |
| N02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | N02 | C03 | H4 | 178.2° | 174.0° |
| C01 | N02 | C03 | H5 | 58.3° | 53.9° |
| C01 | N02 | C44 | H32 | 180.0° | 56.0° |
| C01 | N02 | C44 | H33 | 60.0° | 176.0° |
| C01 | N02 | C44 | H34 | 60.0° | 64.0° |
| C44 | N02 | C03 | C04 | 178.7° | 170.0° |
| C44 | N02 | C01 | H1 | 180.0° | 60.0° |
| C44 | N02 | C01 | H2 | 60.0° | 180.0° |
| C44 | N02 | C01 | H3 | 60.0° | 60.0° |
| C44 | N02 | C03 | H4 | 58.6° | 50.0° |
| C44 | N02 | C03 | H5 | 61.2° | 70.0° |
| N02 | C44 | H32 | H33 | 120.0° | 119.9° |
| N02 | C44 | H32 | H34 | 120.0° | 120.0° |
| N02 | C44 | H33 | H34 | 120.0° | 120.0° |
| N02 | C03 | C04 | H4 | 120.1° | 120.0° |
| N02 | C03 | C04 | H5 | 120.1° | 120.0° |
| N02 | C03 | C04 | C05 | 158.7° | 180.0° |
| C03 | N02 | C01 | H1 | 62.0° | 64.0° |
| C03 | N02 | C01 | H2 | 58.1° | 56.0° |
| C03 | N02 | C01 | H3 | 178.0° | 176.1° |
| N02 | C03 | H4 | H5 | 119.8° | 120.0° |
| N02 | C03 | C04 | H6 | 80.7° | 60.0° |
| N02 | C03 | C04 | H7 | 38.2° | 60.0° |
| C03 | N02 | C44 | H32 | 60.7° | 180.0° |
| C03 | N02 | C44 | H33 | 179.3° | 60.0° |
| C03 | N02 | C44 | H34 | 59.3° | 60.0° |
| C03 | C04 | C05 | H6 | 120.5° | 120.0° |
| C03 | C04 | C05 | H7 | 120.5° | 120.0° |
| C03 | C04 | C05 | C06 | 110.3° | 180.0° |
| C04 | C03 | H4 | H5 | 119.7° | 120.0° |
| C03 | C04 | H6 | H7 | 118.3° | 120.0° |
| C03 | C04 | C05 | H8 | 9.9° | 60.0° |
| C03 | C04 | C05 | H9 | 129.5° | 60.0° |
| C04 | C05 | C06 | O43 | 25.8° | 0.0° |
| C04 | C05 | C06 | H8 | 120.2° | 120.0° |
| C04 | C05 | C06 | H9 | 120.2° | 120.0° |
| C04 | C05 | C06 | N07 | 154.1° | 180.0° |
| C05 | C04 | C03 | H4 | 38.6° | 60.0° |
| C05 | C04 | C03 | H5 | 81.2° | 60.0° |
| C05 | C04 | H6 | H7 | 118.4° | 120.0° |
| C04 | C05 | H8 | H9 | 119.4° | 120.0° |
| O43 | C06 | C05 | N07 | 179.9° | 180.0° |
| O43 | C06 | N07 | C08 | 179.5° | 4.9° |
| O43 | C06 | C05 | H8 | 145.9° | 119.9° |
| O43 | C06 | C05 | H9 | 94.4° | 120.0° |
| O43 | C06 | N07 | H36 | 0.4° | 175.0° |
| C05 | C06 | N07 | C08 | 0.6° | 175.1° |
| C06 | C05 | C04 | H6 | 129.2° | 60.0° |
| C06 | C05 | C04 | H7 | 10.3° | 60.0° |
| C06 | C05 | H8 | H9 | 119.4° | 120.0° |
| C05 | C06 | N07 | H36 | 179.4° | 4.9° |
| C06 | N07 | C08 | H36 | 180.0° | 180.0° |
| C06 | N07 | C08 | C42 | 21.4° | 144.5° |
| C06 | N07 | C08 | C09 | 159.8° | 35.8° |
| N07 | C06 | C05 | H8 | 33.9° | 60.0° |
| N07 | C06 | C05 | H9 | 85.7° | 60.0° |
| N07 | C08 | C42 | C09 | 178.8° | 179.7° |
| N07 | C08 | C42 | C41 | 179.2° | 179.8° |
| N07 | C08 | C09 | C10 | 179.4° | 179.7° |
| N07 | C08 | C09 | H10 | 0.6° | 0.3° |
| N07 | C08 | C42 | H31 | 0.8° | 0.3° |
| C08 | C42 | C41 | H31 | 180.0° | 179.9° |
| C42 | C08 | C09 | C10 | 0.6° | 0.0° |
| C08 | C42 | C41 | C11 | 0.7° | 0.1° |
| C42 | C08 | C09 | H10 | 179.4° | 180.0° |
| C08 | C42 | C41 | H30 | 179.3° | 180.0° |
| C42 | C08 | N07 | H36 | 158.7° | 35.5° |
| C09 | C08 | C42 | C41 | 0.3° | 0.1° |
| C08 | C09 | C10 | H10 | 180.0° | 179.9° |
| C08 | C09 | C10 | C11 | 0.2° | 0.1° |
| C08 | C09 | C10 | H11 | 179.9° | 179.9° |
| C09 | C08 | C42 | H31 | 179.6° | 180.0° |
| C09 | C08 | N07 | H36 | 20.2° | 144.2° |
| C42 | C41 | C11 | H30 | 180.0° | 180.0° |
| C42 | C41 | C11 | C10 | 1.5° | 0.0° |
| C42 | C41 | C11 | C12 | 178.9° | 180.0° |
| C09 | C10 | C11 | C41 | 1.2° | 0.1° |
| C09 | C10 | C11 | H11 | 180.0° | 179.9° |
| C09 | C10 | C11 | C12 | 179.2° | 180.0° |
| C41 | C11 | C10 | C12 | 179.6° | 180.0° |
| C41 | C11 | C12 | O40 | 29.1° | 21.9° |
| C41 | C11 | C12 | N13 | 146.4° | 158.1° |
| C41 | C11 | C10 | H11 | 178.9° | 179.9° |
| C11 | C41 | C42 | H31 | 179.3° | 180.0° |
| C10 | C11 | C12 | O40 | 150.6° | 158.0° |
| C10 | C11 | C12 | N13 | 34.0° | 22.0° |
| C11 | C10 | C09 | H10 | 179.8° | 180.0° |
| C10 | C11 | C41 | H30 | 178.5° | 180.0° |
| C11 | C12 | O40 | N13 | 175.9° | 180.0° |
| C11 | C12 | N13 | C14 | 4.5° | 5.5° |
| C11 | C12 | N13 | C39 | 178.4° | 174.5° |
| C12 | C11 | C10 | H11 | 0.7° | 0.1° |
| C12 | C11 | C41 | H30 | 1.1° | 0.0° |
| O40 | C12 | N13 | C14 | 179.9° | 174.6° |
| O40 | C12 | N13 | C39 | 3.1° | 5.5° |
| C12 | N13 | C14 | C39 | 177.5° | 180.0° |
| C12 | N13 | C14 | C15 | 161.1° | 155.9° |
| C12 | N13 | C39 | C16 | 137.7° | 179.0° |
| C12 | N13 | C14 | H12 | 79.5° | 85.2° |
| C12 | N13 | C14 | H13 | 41.7° | 37.0° |
| C12 | N13 | C39 | H28 | 19.0° | 59.6° |
| C12 | N13 | C39 | H29 | 103.5° | 61.5° |
| C26 | C27 | C28 | H21 | 180.0° | 180.0° |
| C27 | C26 | C25 | H20 | 180.0° | 180.0° |
| C26 | C27 | C28 | N29 | 0.2° | 0.1° |
| C27 | C26 | C25 | C24 | 0.2° | 0.0° |
| C27 | C26 | C25 | H19 | 179.8° | 179.9° |
| C26 | C27 | C28 | H22 | 179.8° | 180.0° |
| C28 | C27 | C26 | C25 | 0.2° | 0.1° |
| C27 | C28 | N29 | H22 | 180.0° | 179.9° |
| C27 | C28 | N29 | C24 | 0.1° | 0.1° |
| C27 | C28 | N29 | N30 | 179.4° | 179.8° |
| C28 | C27 | C26 | H20 | 179.8° | 180.0° |
| N13 | C14 | C15 | H12 | 119.4° | 118.9° |
| N13 | C14 | C15 | H13 | 119.4° | 118.9° |
| C14 | N13 | C39 | C16 | 40.0° | 1.1° |
| N13 | C14 | C15 | C16 | 7.9° | 37.0° |
| N13 | C14 | H12 | H13 | 121.7° | 122.3° |
| N13 | C14 | C15 | H14 | 111.6° | 81.1° |
| N13 | C14 | C15 | H15 | 127.3° | 155.1° |
| C14 | N13 | C39 | H28 | 158.8° | 120.5° |
| C14 | N13 | C39 | H29 | 78.7° | 118.5° |
| C39 | N13 | C14 | C15 | 16.4° | 24.1° |
| N13 | C39 | C16 | H28 | 118.7° | 119.4° |
| N13 | C39 | C16 | H29 | 118.7° | 119.6° |
| N13 | C39 | C16 | C15 | 43.2° | 22.2° |
| N13 | C39 | C16 | N17 | 164.0° | 140.6° |
| C39 | N13 | C14 | H12 | 103.0° | 94.7° |
| C39 | N13 | C14 | H13 | 135.8° | 143.0° |
| N13 | C39 | C16 | H16 | 73.1° | 96.3° |
| N13 | C39 | H28 | H29 | 123.6° | 121.1° |
| C26 | C25 | C24 | H19 | 180.0° | 179.9° |
| C26 | C25 | C24 | N29 | 0.2° | 0.1° |
| C26 | C25 | C24 | C23 | 179.3° | 180.0° |
| C25 | C26 | C27 | H21 | 179.8° | 180.0° |
| C14 | C15 | C16 | C39 | 35.5° | 35.5° |
| C14 | C15 | C16 | H14 | 119.5° | 118.1° |
| C14 | C15 | C16 | H15 | 119.5° | 118.0° |
| C14 | C15 | C16 | N17 | 154.2° | 153.9° |
| C15 | C14 | H12 | H13 | 121.7° | 122.3° |
| C14 | C15 | H14 | H15 | 121.5° | 123.8° |
| C14 | C15 | C16 | H16 | 84.4° | 83.0° |
| C28 | N29 | C24 | C25 | 0.2° | 0.1° |
| C28 | N29 | C24 | N30 | 179.6° | 179.9° |
| C28 | N29 | C24 | C23 | 179.5° | 180.0° |
| C28 | N29 | N30 | C31 | 179.8° | 179.9° |
| N29 | C28 | C27 | H21 | 179.8° | 179.9° |
| C25 | C24 | N29 | C23 | 179.6° | 179.9° |
| C25 | C24 | N29 | N30 | 179.4° | 179.8° |
| C25 | C24 | C23 | C22 | 2.2° | 0.0° |
| C25 | C24 | C23 | C31 | 179.2° | 179.7° |
| C24 | C25 | C26 | H20 | 179.8° | 180.0° |
| C39 | C16 | C15 | N17 | 118.7° | 118.4° |
| C39 | C16 | C15 | H16 | 119.8° | 118.5° |
| C39 | C16 | N17 | H16 | 124.8° | 123.3° |
| C39 | C16 | N17 | C18 | 68.8° | 91.5° |
| C39 | C16 | C15 | H14 | 84.0° | 82.6° |
| C39 | C16 | C15 | H15 | 154.9° | 153.6° |
| C16 | C39 | H28 | H29 | 123.6° | 121.1° |
| C39 | C16 | N17 | H37 | 52.5° | 88.6° |
| C15 | C16 | N17 | H16 | 120.5° | 123.2° |
| C15 | C16 | N17 | C18 | 176.5° | 155.0° |
| C16 | C15 | C14 | H12 | 127.3° | 81.8° |
| C16 | C15 | C14 | H13 | 111.5° | 156.0° |
| C16 | C15 | H14 | H15 | 121.5° | 123.9° |
| C15 | C16 | C39 | H28 | 161.9° | 97.2° |
| C15 | C16 | C39 | H29 | 75.5° | 141.8° |
| C15 | C16 | N17 | H37 | 62.2° | 25.0° |
| C16 | N17 | C18 | H37 | 121.3° | 180.0° |
| C16 | N17 | C18 | N38 | 11.0° | 179.8° |
| C16 | N17 | C18 | N19 | 168.5° | 0.0° |
| N17 | C16 | C15 | H14 | 34.7° | 35.8° |
| N17 | C16 | C15 | H15 | 86.3° | 88.1° |
| N17 | C16 | C39 | H28 | 77.2° | 21.2° |
| N17 | C16 | C39 | H29 | 45.3° | 99.8° |
| C24 | N29 | N30 | C31 | 0.3° | 0.0° |
| N29 | C24 | C23 | C22 | 178.2° | 180.0° |
| N29 | C24 | C23 | C31 | 1.2° | 0.2° |
| N29 | C24 | C25 | H19 | 179.8° | 180.0° |
| C24 | N29 | C28 | H22 | 179.9° | 180.0° |
| N30 | N29 | C24 | C23 | 0.9° | 0.1° |
| N29 | N30 | C31 | C23 | 0.6° | 0.2° |
| N29 | N30 | C31 | C32 | 178.1° | 179.8° |
| N30 | N29 | C28 | H22 | 0.6° | 0.1° |
| C24 | C23 | C31 | N30 | 1.1° | 0.3° |
| C24 | C23 | C22 | C31 | 176.3° | 179.7° |
| C24 | C23 | C22 | N38 | 22.9° | 132.4° |
| C24 | C23 | C22 | C21 | 153.8° | 48.4° |
| C24 | C23 | C31 | C32 | 178.4° | 179.8° |
| C23 | C24 | C25 | H19 | 0.7° | 0.1° |
| N30 | C31 | C23 | C22 | 178.0° | 180.0° |
| N30 | C31 | C23 | C32 | 177.4° | 180.0° |
| N30 | C31 | C32 | C37 | 50.0° | 41.2° |
| N30 | C31 | C32 | C33 | 126.1° | 138.5° |
| N17 | C18 | N38 | N19 | 179.5° | 179.7° |
| N17 | C18 | N38 | C22 | 179.8° | 179.7° |
| N17 | C18 | N19 | C20 | 179.4° | 180.0° |
| C18 | N17 | C16 | H16 | 56.0° | 31.8° |
| C23 | C22 | N38 | C18 | 178.3° | 179.8° |
| C23 | C22 | N38 | C21 | 176.9° | 179.3° |
| C22 | C23 | C31 | C32 | 4.6° | 0.0° |
| C23 | C22 | C21 | C20 | 178.5° | 180.0° |
| C23 | C22 | C21 | H18 | 1.5° | 0.4° |
| C31 | C23 | C22 | N38 | 160.8° | 47.3° |
| C31 | C23 | C22 | C21 | 22.5° | 131.9° |
| C23 | C31 | C32 | C37 | 133.0° | 138.8° |
| C23 | C31 | C32 | C33 | 50.9° | 41.5° |
| C18 | N38 | C22 | C21 | 1.5° | 0.5° |
| N38 | C18 | N19 | C20 | 0.1° | 0.2° |
| N38 | C18 | N17 | H37 | 132.3° | 0.3° |
| C22 | N38 | C18 | N19 | 0.6° | 0.0° |
| N38 | C22 | C21 | C20 | 1.7° | 0.8° |
| N38 | C22 | C21 | H18 | 178.3° | 179.7° |
| C18 | N19 | C20 | C21 | 0.1° | 0.0° |
| C18 | N19 | C20 | H17 | 179.9° | 180.0° |
| N19 | C18 | N17 | H37 | 47.2° | 180.0° |
| C22 | C21 | C20 | N19 | 1.0° | 0.5° |
| C22 | C21 | C20 | H18 | 180.0° | 179.5° |
| C22 | C21 | C20 | H17 | 179.0° | 179.5° |
| C31 | C32 | C37 | C33 | 176.0° | 179.7° |
| C31 | C32 | C37 | C36 | 177.5° | 179.7° |
| C31 | C32 | C33 | C34 | 179.1° | 180.0° |
| C31 | C32 | C33 | H23 | 0.9° | 0.0° |
| C31 | C32 | C37 | H27 | 2.5° | 0.0° |
| N19 | C20 | C21 | H17 | 180.0° | 180.0° |
| N19 | C20 | C21 | H18 | 179.0° | 180.0° |
| C32 | C37 | C36 | H27 | 180.0° | 179.7° |
| C37 | C32 | C33 | C34 | 3.0° | 0.2° |
| C32 | C37 | C36 | C35 | 0.4° | 0.6° |
| C37 | C32 | C33 | H23 | 177.0° | 179.7° |
| C32 | C37 | C36 | H26 | 179.6° | 179.8° |
| C33 | C32 | C37 | C36 | 1.5° | 0.5° |
| C32 | C33 | C34 | H23 | 180.0° | 179.9° |
| C32 | C33 | C34 | C35 | 2.5° | 0.1° |
| C32 | C33 | C34 | H24 | 177.5° | 180.0° |
| C33 | C32 | C37 | H27 | 178.5° | 179.7° |
| C37 | C36 | C35 | H26 | 180.0° | 179.6° |
| C37 | C36 | C35 | C34 | 0.9° | 0.3° |
| C37 | C36 | C35 | H25 | 179.1° | 179.7° |
| C33 | C34 | C35 | C36 | 0.6° | 0.0° |
| C33 | C34 | C35 | H24 | 180.0° | 179.9° |
| C33 | C34 | C35 | H25 | 179.4° | 179.9° |
| C36 | C35 | C34 | H25 | 180.0° | 179.9° |
| C36 | C35 | C34 | H24 | 179.4° | 179.9° |
| C35 | C36 | C37 | H27 | 179.6° | 179.7° |
| C35 | C34 | C33 | H23 | 177.5° | 180.0° |
| C34 | C35 | C36 | H26 | 179.1° | 180.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H4 | C03 | C04 | H6 | 159.2° | 60.0° |
| H4 | C03 | C04 | H7 | 81.9° | 180.0° |
| H5 | C03 | C04 | H6 | 39.4° | 180.0° |
| H5 | C03 | C04 | H7 | 158.2° | 60.0° |
| H6 | C04 | C05 | H8 | 110.6° | 180.0° |
| H6 | C04 | C05 | H9 | 9.0° | 60.0° |
| H7 | C04 | C05 | H8 | 130.5° | 60.0° |
| H7 | C04 | C05 | H9 | 109.9° | NaN° |
| H10 | C09 | C10 | H11 | 0.2° | 0.1° |
| H12 | C14 | C15 | H14 | 7.8° | 160.0° |
| H12 | C14 | C15 | H15 | 113.3° | 36.2° |
| H13 | C14 | C15 | H14 | 129.0° | 37.8° |
| H13 | C14 | C15 | H15 | 7.9° | 86.0° |
| H14 | C15 | C16 | H16 | 156.1° | 158.9° |
| H15 | C15 | C16 | H16 | 35.1° | 35.0° |
| H16 | C16 | C39 | H28 | 45.6° | 144.3° |
| H16 | C16 | C39 | H29 | 168.2° | 23.3° |
| H16 | C16 | N17 | H37 | 177.3° | 148.2° |
| H17 | C20 | C21 | H18 | 1.0° | 0.0° |
| H19 | C25 | C26 | H20 | 0.2° | 0.1° |
| H20 | C26 | C27 | H21 | 0.2° | 0.0° |
| H21 | C27 | C28 | H22 | 0.2° | 0.0° |
| H23 | C33 | C34 | H24 | 2.5° | 0.1° |
| H24 | C34 | C35 | H25 | 0.6° | 0.0° |
| H25 | C35 | C36 | H26 | 0.9° | 0.1° |
| H26 | C36 | C37 | H27 | 0.4° | 0.1° |
| H30 | C41 | C42 | H31 | 0.7° | 0.1° |
| H32 | C44 | H33 | H34 | 120.0° | 120.0° |
