YRI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C02 | doub | 1.21Å | 1.19Å | |
| C03 | C02 | sing | 1.50Å | 1.57Å | |
| C03 | C04 | sing | 1.53Å | 1.46Å | |
| C20 | C15 | sing | 1.51Å | 1.53Å | |
| C02 | N31 | sing | 1.33Å | 1.52Å | |
| BR37 | C36 | sing | 1.89Å | 1.92Å | |
| C04 | C05 | sing | 1.53Å | 1.46Å | |
| O16 | C15 | sing | 1.34Å | 1.31Å | Aromatic |
| O16 | N17 | sing | 1.21Å | 1.35Å | Aromatic |
| C15 | C14 | doub | 1.37Å | 1.38Å | Aromatic |
| C38 | C36 | doub | 1.38Å | 1.37Å | Aromatic |
| C38 | C32 | sing | 1.39Å | 1.38Å | Aromatic |
| N17 | C18 | doub | 1.30Å | 1.34Å | Aromatic |
| C21 | C09 | doub | 1.40Å | 1.43Å | Aromatic |
| C21 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
| N31 | C32 | sing | 1.40Å | 1.43Å | |
| N31 | C06 | sing | 1.46Å | 1.55Å | |
| C36 | C35 | sing | 1.38Å | 1.37Å | Aromatic |
| N08 | C09 | sing | 1.36Å | 1.37Å | Aromatic |
| N08 | C07 | doub | 1.30Å | 1.34Å | Aromatic |
| C14 | C18 | sing | 1.42Å | 1.41Å | Aromatic |
| C14 | C13 | sing | 1.49Å | 1.54Å | |
| C05 | C06 | sing | 1.53Å | 1.47Å | |
| C32 | C33 | doub | 1.39Å | 1.38Å | Aromatic |
| C09 | C10 | sing | 1.41Å | 1.35Å | Aromatic |
| C18 | C19 | sing | 1.51Å | 1.52Å | |
| C13 | C12 | doub | 1.40Å | 1.39Å | Aromatic |
| C06 | C07 | sing | 1.51Å | 1.52Å | |
| C07 | N22 | sing | 1.36Å | 1.33Å | Aromatic |
| C35 | BR39 | sing | 1.89Å | 1.93Å | |
| C35 | C34 | doub | 1.38Å | 1.37Å | Aromatic |
| C33 | C34 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | N22 | sing | 1.38Å | 1.36Å | Aromatic |
| C10 | C11 | doub | 1.39Å | 1.42Å | Aromatic |
| N22 | C23 | sing | 1.47Å | 1.46Å | |
| C12 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C23 | C28 | sing | 1.53Å | 1.53Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C28 | C27 | sing | 1.53Å | 1.53Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C27 | C26 | sing | 1.53Å | 1.53Å | |
| C26 | O29 | sing | 1.43Å | 1.41Å | |
| O29 | C30 | sing | 1.43Å | 1.40Å | |
| C20 | H1 | sing | 1.09Å | 1.10Å | |
| C20 | H2 | sing | 1.09Å | 1.10Å | |
| C20 | H3 | sing | 1.09Å | 1.10Å | |
| C21 | H4 | sing | 1.08Å | 1.08Å | |
| C24 | H5 | sing | 1.09Å | 1.10Å | |
| C24 | H6 | sing | 1.09Å | 1.10Å | |
| C26 | H7 | sing | 1.09Å | 1.10Å | |
| C28 | H8 | sing | 1.09Å | 1.10Å | |
| C28 | H9 | sing | 1.09Å | 1.10Å | |
| C03 | H10 | sing | 1.09Å | 1.10Å | |
| C03 | H11 | sing | 1.09Å | 1.10Å | |
| C04 | H12 | sing | 1.09Å | 1.10Å | |
| C04 | H13 | sing | 1.09Å | 1.10Å | |
| C05 | H14 | sing | 1.09Å | 1.10Å | |
| C05 | H15 | sing | 1.09Å | 1.10Å | |
| C06 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.08Å | 1.08Å | |
| C12 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C27 | H25 | sing | 1.09Å | 1.10Å | |
| C27 | H26 | sing | 1.09Å | 1.10Å | |
| C30 | H27 | sing | 1.09Å | 1.10Å | |
| C30 | H28 | sing | 1.09Å | 1.10Å | |
| C30 | H29 | sing | 1.09Å | 1.10Å | |
| C33 | H30 | sing | 1.08Å | 1.08Å | |
| C34 | H31 | sing | 1.08Å | 1.08Å | |
| C38 | H32 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | C03 | 124.0° | 118.2° |
| O01 | C02 | N31 | 121.0° | 118.3° |
| C02 | C03 | C04 | 112.8° | 109.9° |
| C03 | C02 | N31 | 115.0° | 123.5° |
| C02 | C03 | H10 | 108.6° | 109.4° |
| C02 | C03 | H11 | 108.7° | 109.4° |
| C03 | C04 | C05 | 113.5° | 108.4° |
| C04 | C03 | H10 | 108.7° | 109.4° |
| C04 | C03 | H11 | 108.6° | 109.4° |
| C03 | C04 | H12 | 108.4° | 109.6° |
| C03 | C04 | H13 | 108.5° | 109.6° |
| C20 | C15 | O16 | 124.2° | 126.8° |
| C20 | C15 | C14 | 128.8° | 126.9° |
| C15 | C20 | H1 | 109.5° | 109.5° |
| C15 | C20 | H2 | 109.5° | 109.5° |
| C15 | C20 | H3 | 109.5° | 109.5° |
| C02 | N31 | C32 | 120.0° | 117.9° |
| C02 | N31 | C06 | 120.0° | 124.1° |
| BR37 | C36 | C38 | 117.8° | 120.0° |
| BR37 | C36 | C35 | 120.4° | 120.0° |
| C04 | C05 | C06 | 115.1° | 108.7° |
| C05 | C04 | H12 | 108.5° | 109.7° |
| C05 | C04 | H13 | 108.5° | 109.7° |
| C04 | C05 | H14 | 108.1° | 109.6° |
| C04 | C05 | H15 | 108.1° | 109.6° |
| C15 | O16 | N17 | 111.8° | 111.8° |
| O16 | C15 | C14 | 107.0° | 106.3° |
| O16 | N17 | C18 | 107.3° | 111.9° |
| C15 | C14 | C18 | 106.7° | 103.7° |
| C15 | C14 | C13 | 125.8° | 128.2° |
| C36 | C38 | C32 | 117.3° | 119.9° |
| C38 | C36 | C35 | 121.9° | 120.0° |
| C36 | C38 | H32 | 121.3° | 120.0° |
| C38 | C32 | N31 | 118.7° | 120.0° |
| C38 | C32 | C33 | 122.0° | 119.9° |
| C32 | C38 | H32 | 121.4° | 120.1° |
| N17 | C18 | C14 | 107.2° | 106.3° |
| N17 | C18 | C19 | 123.9° | 126.8° |
| C09 | C21 | C13 | 119.3° | 119.7° |
| C21 | C09 | N08 | 132.0° | 133.4° |
| C21 | C09 | C10 | 121.5° | 119.6° |
| C09 | C21 | H4 | 120.3° | 120.2° |
| C21 | C13 | C14 | 122.4° | 119.9° |
| C21 | C13 | C12 | 118.6° | 120.3° |
| C13 | C21 | H4 | 120.3° | 120.2° |
| C32 | N31 | C06 | 120.0° | 118.0° |
| N31 | C32 | C33 | 119.3° | 120.0° |
| N31 | C06 | C05 | 116.8° | 110.5° |
| N31 | C06 | C07 | 107.2° | 109.3° |
| N31 | C06 | H16 | 107.4° | 109.2° |
| C36 | C35 | BR39 | 119.6° | 119.9° |
| C36 | C35 | C34 | 120.5° | 120.1° |
| C09 | N08 | C07 | 108.7° | 109.7° |
| N08 | C09 | C10 | 106.5° | 106.9° |
| N08 | C07 | C06 | 126.3° | 124.9° |
| N08 | C07 | N22 | 108.2° | 110.1° |
| C18 | C14 | C13 | 127.5° | 128.2° |
| C14 | C18 | C19 | 128.9° | 126.9° |
| C14 | C13 | C12 | 118.9° | 119.9° |
| C05 | C06 | C07 | 108.9° | 109.3° |
| C06 | C05 | H14 | 108.0° | 109.6° |
| C06 | C05 | H15 | 108.1° | 109.6° |
| C05 | C06 | H16 | 108.4° | 109.3° |
| C32 | C33 | C34 | 119.6° | 119.9° |
| C32 | C33 | H30 | 120.2° | 120.1° |
| C09 | C10 | N22 | 107.9° | 106.0° |
| C09 | C10 | C11 | 119.3° | 120.1° |
| C18 | C19 | H19 | 109.5° | 109.5° |
| C18 | C19 | H20 | 109.5° | 109.5° |
| C18 | C19 | H21 | 109.4° | 109.5° |
| C13 | C12 | C11 | 121.6° | 120.4° |
| C13 | C12 | H18 | 119.2° | 119.8° |
| C06 | C07 | N22 | 125.5° | 125.0° |
| C07 | C06 | H16 | 107.8° | 109.2° |
| C07 | N22 | C10 | 108.6° | 107.3° |
| C07 | N22 | C23 | 124.7° | 126.3° |
| BR39 | C35 | C34 | 119.9° | 119.9° |
| C35 | C34 | C33 | 118.8° | 120.1° |
| C35 | C34 | H31 | 120.6° | 120.0° |
| C34 | C33 | H30 | 120.2° | 120.0° |
| C33 | C34 | H31 | 120.6° | 119.9° |
| N22 | C10 | C11 | 132.8° | 133.9° |
| C10 | N22 | C23 | 126.8° | 126.4° |
| C10 | C11 | C12 | 119.6° | 120.0° |
| C10 | C11 | H17 | 120.2° | 120.0° |
| N22 | C23 | C24 | 108.7° | 109.5° |
| N22 | C23 | C28 | 108.2° | 109.4° |
| N22 | C23 | H22 | 109.6° | 109.5° |
| C12 | C11 | H17 | 120.2° | 120.0° |
| C11 | C12 | H18 | 119.2° | 119.8° |
| C24 | C23 | C28 | 112.9° | 109.5° |
| C23 | C24 | C25 | 111.8° | 109.5° |
| C23 | C24 | H5 | 108.9° | 109.4° |
| C23 | C24 | H6 | 108.9° | 109.4° |
| C24 | C23 | H22 | 108.7° | 109.5° |
| C23 | C28 | C27 | 112.7° | 109.4° |
| C23 | C28 | H8 | 108.6° | 109.5° |
| C23 | C28 | H9 | 108.7° | 109.4° |
| C28 | C23 | H22 | 108.7° | 109.5° |
| C24 | C25 | C26 | 115.1° | 109.5° |
| C25 | C24 | H5 | 108.9° | 109.5° |
| C25 | C24 | H6 | 108.9° | 109.5° |
| C24 | C25 | H23 | 108.0° | 109.5° |
| C24 | C25 | H24 | 108.0° | 109.5° |
| C28 | C27 | C26 | 113.9° | 109.5° |
| C27 | C28 | H8 | 108.7° | 109.5° |
| C27 | C28 | H9 | 108.6° | 109.5° |
| C28 | C27 | H25 | 108.3° | 109.5° |
| C28 | C27 | H26 | 108.3° | 109.5° |
| C25 | C26 | C27 | 116.1° | 109.5° |
| C25 | C26 | O29 | 107.3° | 109.5° |
| C25 | C26 | H7 | 108.0° | 109.5° |
| C26 | C25 | H23 | 108.0° | 109.5° |
| C26 | C25 | H24 | 108.0° | 109.4° |
| C27 | C26 | O29 | 107.6° | 109.5° |
| C27 | C26 | H7 | 108.1° | 109.4° |
| C26 | C27 | H25 | 108.4° | 109.5° |
| C26 | C27 | H26 | 108.3° | 109.5° |
| C26 | O29 | C30 | 113.0° | 114.0° |
| O29 | C26 | H7 | 109.7° | 109.4° |
| O29 | C30 | H27 | 109.5° | 109.4° |
| O29 | C30 | H28 | 109.5° | 109.5° |
| O29 | C30 | H29 | 109.5° | 109.4° |
| H1 | C20 | H2 | 109.4° | 109.5° |
| H1 | C20 | H3 | 109.5° | 109.4° |
| H2 | C20 | H3 | 109.5° | 109.5° |
| H5 | C24 | H6 | 109.5° | 109.5° |
| H8 | C28 | H9 | 109.5° | 109.5° |
| H10 | C03 | H11 | 109.5° | 109.3° |
| H12 | C04 | H13 | 109.5° | 109.7° |
| H14 | C05 | H15 | 109.4° | 109.7° |
| H19 | C19 | H20 | 109.5° | 109.4° |
| H19 | C19 | H21 | 109.5° | 109.5° |
| H20 | C19 | H21 | 109.4° | 109.5° |
| H23 | C25 | H24 | 109.5° | 109.5° |
| H25 | C27 | H26 | 109.5° | 109.4° |
| H27 | C30 | H28 | 109.5° | 109.5° |
| H27 | C30 | H29 | 109.5° | 109.4° |
| H28 | C30 | H29 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | C03 | N31 | 179.7° | 179.7° |
| O01 | C02 | C03 | C04 | 151.8° | 162.7° |
| O01 | C02 | N31 | C32 | 0.1° | 1.9° |
| O01 | C02 | N31 | C06 | 179.9° | 178.0° |
| O01 | C02 | C03 | H10 | 87.7° | 42.5° |
| O01 | C02 | C03 | H11 | 31.3° | 77.2° |
| C02 | C03 | C04 | H10 | 120.5° | 120.1° |
| C02 | C03 | C04 | H11 | 120.5° | 120.1° |
| C02 | C03 | C04 | C05 | 57.8° | 48.9° |
| C03 | C02 | N31 | C32 | 179.8° | 177.8° |
| C03 | C02 | N31 | C06 | 0.5° | 2.3° |
| C02 | C03 | H10 | H11 | 118.5° | 119.8° |
| C02 | C03 | C04 | H12 | 178.4° | 70.9° |
| C02 | C03 | C04 | H13 | 62.8° | 168.6° |
| C04 | C03 | C02 | N31 | 28.6° | 17.6° |
| C03 | C04 | C05 | H12 | 120.6° | 119.7° |
| C03 | C04 | C05 | H13 | 120.6° | 119.7° |
| C03 | C04 | C05 | C06 | 57.6° | 67.5° |
| C04 | C03 | H10 | H11 | 118.5° | 119.8° |
| C03 | C04 | H12 | H13 | 118.2° | 120.5° |
| C03 | C04 | C05 | H14 | 63.2° | 172.7° |
| C03 | C04 | C05 | H15 | 178.5° | 52.2° |
| C20 | C15 | O16 | C14 | 179.5° | 179.7° |
| C20 | C15 | O16 | N17 | 179.6° | 179.8° |
| C20 | C15 | C14 | C18 | 179.4° | 180.0° |
| C20 | C15 | C14 | C13 | 1.0° | 0.1° |
| C15 | C20 | H1 | H2 | 120.0° | 120.1° |
| C15 | C20 | H1 | H3 | 120.0° | 120.0° |
| C15 | C20 | H2 | H3 | 120.0° | 120.0° |
| C02 | N31 | C32 | C38 | 62.0° | 67.6° |
| C02 | N31 | C32 | C06 | 179.8° | 179.9° |
| C02 | N31 | C06 | C05 | 0.8° | 19.1° |
| C02 | N31 | C32 | C33 | 116.8° | 112.7° |
| C02 | N31 | C06 | C07 | 123.2° | 139.5° |
| N31 | C02 | C03 | H10 | 91.9° | 137.7° |
| N31 | C02 | C03 | H11 | 149.0° | 102.5° |
| C02 | N31 | C06 | H16 | 121.2° | 101.2° |
| BR37 | C36 | C38 | C35 | 179.9° | 180.0° |
| BR37 | C36 | C38 | C32 | 179.3° | 180.0° |
| BR37 | C36 | C35 | BR39 | 0.3° | 0.0° |
| BR37 | C36 | C35 | C34 | 180.0° | 179.9° |
| BR37 | C36 | C38 | H32 | 0.6° | 0.0° |
| C04 | C05 | C06 | N31 | 26.6° | 50.8° |
| C04 | C05 | C06 | H14 | 120.8° | 119.7° |
| C04 | C05 | C06 | H15 | 120.8° | 119.8° |
| C04 | C05 | C06 | C07 | 94.9° | 171.1° |
| C05 | C04 | C03 | H10 | 62.6° | 169.0° |
| C05 | C04 | C03 | H11 | 178.3° | 71.2° |
| C05 | C04 | H12 | H13 | 118.2° | 120.6° |
| C04 | C05 | H14 | H15 | 117.5° | 120.4° |
| C04 | C05 | C06 | H16 | 148.1° | 69.4° |
| C15 | O16 | N17 | C18 | 0.3° | 0.5° |
| O16 | C15 | C14 | C18 | 0.1° | 0.3° |
| O16 | C15 | C14 | C13 | 178.5° | 179.8° |
| O16 | C15 | C20 | H1 | 0.0° | 90.4° |
| O16 | C15 | C20 | H2 | 120.0° | 29.7° |
| O16 | C15 | C20 | H3 | 120.0° | 149.7° |
| N17 | O16 | C15 | C14 | 0.1° | 0.5° |
| O16 | N17 | C18 | C14 | 0.3° | 0.2° |
| O16 | N17 | C18 | C19 | 179.9° | 179.7° |
| C15 | C14 | C18 | N17 | 0.3° | 0.0° |
| C15 | C14 | C13 | C21 | 44.0° | 115.3° |
| C15 | C14 | C18 | C13 | 178.3° | 180.0° |
| C15 | C14 | C18 | C19 | 179.8° | 180.0° |
| C15 | C14 | C13 | C12 | 133.7° | 65.0° |
| C14 | C15 | C20 | H1 | 179.4° | 90.0° |
| C14 | C15 | C20 | H2 | 59.4° | 150.0° |
| C14 | C15 | C20 | H3 | 60.6° | 29.9° |
| C36 | C38 | C32 | H32 | 180.0° | 180.0° |
| C36 | C38 | C32 | N31 | 180.0° | 179.7° |
| C36 | C38 | C32 | C33 | 1.2° | 0.0° |
| C38 | C36 | C35 | BR39 | 179.8° | 180.0° |
| C38 | C36 | C35 | C34 | 0.1° | 0.0° |
| C38 | C32 | N31 | C33 | 178.8° | 179.7° |
| C38 | C32 | N31 | C06 | 117.8° | 112.4° |
| C32 | C38 | C36 | C35 | 0.6° | 0.0° |
| C38 | C32 | C33 | C34 | 1.1° | 0.0° |
| C38 | C32 | C33 | H30 | 178.9° | 179.9° |
| N17 | C18 | C14 | C19 | 179.5° | 179.9° |
| N17 | C18 | C14 | C13 | 178.6° | 180.0° |
| N17 | C18 | C19 | H19 | 0.0° | 89.9° |
| N17 | C18 | C19 | H20 | 120.0° | 30.1° |
| N17 | C18 | C19 | H21 | 120.0° | 150.0° |
| C09 | C21 | C13 | H4 | 180.0° | 180.0° |
| C21 | C09 | N08 | C10 | 180.0° | 180.0° |
| C21 | C09 | N08 | C07 | 179.9° | 180.0° |
| C09 | C21 | C13 | C14 | 179.0° | 179.9° |
| C09 | C21 | C13 | C12 | 1.2° | 0.4° |
| C21 | C09 | C10 | N22 | 179.9° | 180.0° |
| C21 | C09 | C10 | C11 | 0.4° | 0.3° |
| C13 | C21 | C09 | N08 | 179.3° | 179.9° |
| C21 | C13 | C14 | C18 | 137.9° | 64.7° |
| C21 | C13 | C14 | C12 | 177.7° | 179.7° |
| C13 | C21 | C09 | C10 | 0.7° | 0.1° |
| C21 | C13 | C12 | C11 | 0.6° | 0.3° |
| C21 | C13 | C12 | H18 | 179.4° | 179.9° |
| C32 | N31 | C06 | C05 | 178.9° | 160.9° |
| C32 | N31 | C06 | C07 | 56.5° | 40.6° |
| N31 | C32 | C33 | C34 | 179.9° | 179.8° |
| C32 | N31 | C06 | H16 | 59.1° | 78.8° |
| N31 | C32 | C33 | H30 | 0.1° | 0.3° |
| N31 | C32 | C38 | H32 | 0.0° | 0.3° |
| N31 | C06 | C07 | N08 | 56.2° | 46.1° |
| N31 | C06 | C05 | C07 | 121.5° | 120.3° |
| N31 | C06 | C05 | H16 | 121.5° | 120.2° |
| C06 | N31 | C32 | C33 | 63.4° | 67.3° |
| N31 | C06 | C07 | H16 | 115.4° | 119.4° |
| N31 | C06 | C07 | N22 | 123.9° | 133.9° |
| N31 | C06 | C05 | H14 | 94.2° | 170.5° |
| N31 | C06 | C05 | H15 | 147.5° | 69.0° |
| C36 | C35 | BR39 | C34 | 179.7° | 179.9° |
| C36 | C35 | C34 | C33 | 0.1° | 0.0° |
| C36 | C35 | C34 | H31 | 179.9° | 180.0° |
| C35 | C36 | C38 | H32 | 179.4° | 180.0° |
| C09 | N08 | C07 | C06 | 179.6° | 180.0° |
| C09 | N08 | C07 | N22 | 0.3° | 0.0° |
| N08 | C09 | C10 | N22 | 0.1° | 0.0° |
| N08 | C09 | C10 | C11 | 179.6° | 179.7° |
| N08 | C09 | C21 | H4 | 0.7° | 0.1° |
| N08 | C07 | C06 | C05 | 71.0° | 75.0° |
| C07 | N08 | C09 | C10 | 0.1° | 0.0° |
| N08 | C07 | C06 | N22 | 179.9° | 180.0° |
| N08 | C07 | N22 | C10 | 0.3° | 0.0° |
| N08 | C07 | N22 | C23 | 179.6° | 179.8° |
| N08 | C07 | C06 | H16 | 171.6° | 165.4° |
| C18 | C14 | C13 | C12 | 44.3° | 115.0° |
| C14 | C18 | C19 | H19 | 179.4° | 90.0° |
| C14 | C18 | C19 | H20 | 59.4° | 150.0° |
| C14 | C18 | C19 | H21 | 60.5° | 30.1° |
| C13 | C14 | C18 | C19 | 1.9° | 0.1° |
| C14 | C13 | C12 | C11 | 178.4° | 180.0° |
| C14 | C13 | C21 | H4 | 1.0° | 0.0° |
| C14 | C13 | C12 | H18 | 1.6° | 0.4° |
| C05 | C06 | C07 | H16 | 117.5° | 119.6° |
| C05 | C06 | C07 | N22 | 108.9° | 105.0° |
| C06 | C05 | C04 | H12 | 178.2° | 52.2° |
| C06 | C05 | C04 | H13 | 63.0° | 172.8° |
| C06 | C05 | H14 | H15 | 117.5° | 120.4° |
| C32 | C33 | C34 | C35 | 0.4° | 0.0° |
| C32 | C33 | C34 | H30 | 180.0° | 179.9° |
| C32 | C33 | C34 | H31 | 179.5° | 180.0° |
| C33 | C32 | C38 | H32 | 178.8° | 180.0° |
| C09 | C10 | N22 | C07 | 0.3° | 0.0° |
| C09 | C10 | N22 | C11 | 179.6° | 179.7° |
| C09 | C10 | N22 | C23 | 179.7° | 179.8° |
| C09 | C10 | C11 | C12 | 1.0° | 0.3° |
| C10 | C09 | C21 | H4 | 179.3° | 180.0° |
| C09 | C10 | C11 | H17 | 179.0° | 179.7° |
| C18 | C19 | H19 | H20 | 120.0° | 120.0° |
| C18 | C19 | H19 | H21 | 120.0° | 120.0° |
| C18 | C19 | H20 | H21 | 119.9° | 120.0° |
| C13 | C12 | C11 | C10 | 0.5° | 0.0° |
| C13 | C12 | C11 | H18 | 180.0° | 179.6° |
| C12 | C13 | C21 | H4 | 178.8° | 179.7° |
| C13 | C12 | C11 | H17 | 179.5° | 180.0° |
| C06 | C07 | N22 | C10 | 179.6° | 180.0° |
| C06 | C07 | N22 | C23 | 0.5° | 0.2° |
| C07 | C06 | C05 | H14 | 144.3° | 69.2° |
| C07 | C06 | C05 | H15 | 26.0° | 51.3° |
| C07 | N22 | C10 | C23 | 180.0° | 179.8° |
| C07 | N22 | C10 | C11 | 179.3° | 179.7° |
| C07 | N22 | C23 | C24 | 116.7° | 120.3° |
| C07 | N22 | C23 | C28 | 120.4° | 119.7° |
| N22 | C07 | C06 | H16 | 8.5° | 14.6° |
| C07 | N22 | C23 | H22 | 2.1° | 0.3° |
| BR39 | C35 | C34 | C33 | 179.8° | 180.0° |
| BR39 | C35 | C34 | H31 | 0.2° | 0.1° |
| C35 | C34 | C33 | H31 | 180.0° | 180.0° |
| C35 | C34 | C33 | H30 | 179.6° | 179.9° |
| N22 | C10 | C11 | C12 | 179.4° | 180.0° |
| C10 | N22 | C23 | C24 | 63.4° | 59.9° |
| C10 | N22 | C23 | C28 | 59.6° | 60.1° |
| N22 | C10 | C11 | H17 | 0.6° | 0.1° |
| C10 | N22 | C23 | H22 | 177.9° | 180.0° |
| C11 | C10 | N22 | C23 | 0.7° | 0.1° |
| C10 | C11 | C12 | H17 | 180.0° | 180.0° |
| C10 | C11 | C12 | H18 | 179.5° | 179.6° |
| N22 | C23 | C24 | C28 | 120.0° | 120.0° |
| N22 | C23 | C24 | H22 | 119.3° | 120.0° |
| N22 | C23 | C28 | H22 | 119.0° | 120.0° |
| N22 | C23 | C24 | C25 | 173.5° | 60.0° |
| N22 | C23 | C28 | C27 | 175.7° | 60.0° |
| N22 | C23 | C24 | H5 | 66.1° | 180.0° |
| N22 | C23 | C24 | H6 | 53.2° | 60.0° |
| N22 | C23 | C28 | H8 | 55.3° | 60.0° |
| N22 | C23 | C28 | H9 | 63.8° | 180.0° |
| C24 | C23 | C28 | H22 | 120.7° | 120.0° |
| C23 | C24 | C25 | H5 | 120.4° | 119.9° |
| C23 | C24 | C25 | H6 | 120.4° | 120.0° |
| C24 | C23 | C28 | C27 | 55.4° | 60.0° |
| C23 | C24 | C25 | C26 | 5.5° | 59.9° |
| C23 | C24 | H5 | H6 | 119.0° | 119.9° |
| C24 | C23 | C28 | H8 | 65.1° | 180.0° |
| C24 | C23 | C28 | H9 | 175.9° | 60.0° |
| C23 | C24 | C25 | H23 | 115.3° | 180.0° |
| C23 | C24 | C25 | H24 | 126.3° | 60.0° |
| C28 | C23 | C24 | C25 | 53.5° | 60.0° |
| C23 | C28 | C27 | H8 | 120.5° | 120.0° |
| C23 | C28 | C27 | H9 | 120.5° | 119.9° |
| C23 | C28 | C27 | C26 | 8.4° | 60.0° |
| C28 | C23 | C24 | H5 | 173.8° | 60.0° |
| C28 | C23 | C24 | H6 | 66.8° | 180.0° |
| C23 | C28 | H8 | H9 | 118.5° | 120.0° |
| C23 | C28 | C27 | H25 | 129.0° | 180.0° |
| C23 | C28 | C27 | H26 | 112.3° | 60.1° |
| C24 | C25 | C26 | H23 | 120.8° | 120.0° |
| C24 | C25 | C26 | H24 | 120.8° | 120.0° |
| C24 | C25 | C26 | C27 | 40.6° | 60.0° |
| C24 | C25 | C26 | O29 | 160.9° | 180.0° |
| C25 | C24 | H5 | H6 | 118.9° | 120.1° |
| C24 | C25 | C26 | H7 | 80.9° | 60.0° |
| C25 | C24 | C23 | H22 | 67.2° | 180.0° |
| C24 | C25 | H23 | H24 | 117.4° | 120.0° |
| C28 | C27 | C26 | C25 | 38.9° | 60.0° |
| C28 | C27 | C26 | H25 | 120.6° | 120.0° |
| C28 | C27 | C26 | H26 | 120.6° | 120.0° |
| C28 | C27 | C26 | O29 | 159.0° | 180.0° |
| C28 | C27 | C26 | H7 | 82.6° | 60.0° |
| C27 | C28 | H8 | H9 | 118.5° | 120.0° |
| C27 | C28 | C23 | H22 | 65.3° | 180.0° |
| C28 | C27 | H25 | H26 | 118.0° | 120.0° |
| C25 | C26 | C27 | O29 | 120.2° | 120.0° |
| C25 | C26 | C27 | H7 | 121.5° | 120.1° |
| C25 | C26 | O29 | H7 | 117.1° | 120.0° |
| C25 | C26 | O29 | C30 | 120.0° | 150.0° |
| C26 | C25 | C24 | H5 | 125.9° | 60.0° |
| C26 | C25 | C24 | H6 | 114.8° | 179.9° |
| C26 | C25 | H23 | H24 | 117.4° | 120.0° |
| C25 | C26 | C27 | H25 | 81.8° | 180.0° |
| C25 | C26 | C27 | H26 | 159.5° | 60.0° |
| C27 | C26 | O29 | H7 | 117.3° | 119.9° |
| C27 | C26 | O29 | C30 | 114.4° | 89.9° |
| C26 | C27 | C28 | H8 | 112.1° | 180.0° |
| C26 | C27 | C28 | H9 | 128.8° | 60.0° |
| C27 | C26 | C25 | H23 | 161.5° | 180.0° |
| C27 | C26 | C25 | H24 | 80.2° | 60.0° |
| C26 | C27 | H25 | H26 | 118.0° | 120.0° |
| O29 | C26 | C25 | H23 | 78.2° | 60.0° |
| O29 | C26 | C25 | H24 | 40.1° | 60.0° |
| O29 | C26 | C27 | H25 | 38.4° | 59.9° |
| O29 | C26 | C27 | H26 | 80.4° | 60.0° |
| C26 | O29 | C30 | H27 | 180.0° | 180.0° |
| C26 | O29 | C30 | H28 | 60.0° | 60.0° |
| C26 | O29 | C30 | H29 | 60.0° | 60.1° |
| C30 | O29 | C26 | H7 | 2.9° | 30.0° |
| O29 | C30 | H27 | H28 | 120.0° | 120.1° |
| O29 | C30 | H27 | H29 | 120.0° | 119.9° |
| O29 | C30 | H28 | H29 | 120.0° | 120.0° |
| H1 | C20 | H2 | H3 | 120.0° | 119.9° |
| H5 | C24 | C23 | H22 | 53.2° | 60.0° |
| H5 | C24 | C25 | H23 | 5.1° | 60.0° |
| H5 | C24 | C25 | H24 | 113.3° | 179.9° |
| H6 | C24 | C23 | H22 | 172.5° | 60.0° |
| H6 | C24 | C25 | H23 | 124.3° | 60.0° |
| H6 | C24 | C25 | H24 | 6.0° | 60.0° |
| H7 | C26 | C25 | H23 | 40.0° | 60.0° |
| H7 | C26 | C25 | H24 | 158.3° | 180.0° |
| H7 | C26 | C27 | H25 | 156.8° | 60.0° |
| H7 | C26 | C27 | H26 | 38.0° | 179.9° |
| H8 | C28 | C23 | H22 | 174.2° | 60.0° |
| H8 | C28 | C27 | H25 | 8.5° | 60.0° |
| H8 | C28 | C27 | H26 | 127.3° | 60.0° |
| H9 | C28 | C23 | H22 | 55.2° | 60.0° |
| H9 | C28 | C27 | H25 | 110.5° | 60.1° |
| H9 | C28 | C27 | H26 | 8.2° | 180.0° |
| H10 | C03 | C04 | H12 | 57.9° | 49.3° |
| H10 | C03 | C04 | H13 | 176.8° | 71.3° |
| H11 | C03 | C04 | H12 | 61.1° | 169.0° |
| H11 | C03 | C04 | H13 | 57.7° | 48.5° |
| H12 | C04 | C05 | H14 | 57.4° | 67.6° |
| H12 | C04 | C05 | H15 | 60.9° | 172.0° |
| H13 | C04 | C05 | H14 | 176.2° | 53.0° |
| H13 | C04 | C05 | H15 | 57.9° | 67.4° |
| H14 | C05 | C06 | H16 | 27.3° | 50.3° |
| H15 | C05 | C06 | H16 | 91.0° | 170.8° |
| H17 | C11 | C12 | H18 | 0.5° | 0.4° |
| H19 | C19 | H20 | H21 | 120.0° | 120.0° |
| H27 | C30 | H28 | H29 | 120.0° | 120.0° |
| H30 | C33 | C34 | H31 | 0.5° | 0.1° |
