O5Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.53Å | 1.53Å | |
| C02 | C03 | sing | 1.51Å | 1.54Å | |
| C08 | N05 | sing | 1.47Å | 1.49Å | |
| C08 | C07 | sing | 1.54Å | 1.49Å | |
| C03 | N05 | sing | 1.35Å | 1.45Å | |
| C03 | O04 | doub | 1.21Å | 1.19Å | |
| N05 | C06 | sing | 1.47Å | 1.49Å | |
| C07 | C06 | sing | 1.53Å | 1.48Å | |
| C07 | N09 | sing | 1.46Å | 1.46Å | |
| C24 | O23 | sing | 1.43Å | 1.40Å | |
| N09 | C10 | sing | 1.35Å | 1.47Å | |
| O23 | C22 | sing | 1.36Å | 1.41Å | |
| C10 | O11 | doub | 1.21Å | 1.19Å | |
| C10 | C12 | sing | 1.51Å | 1.53Å | |
| C22 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
| C22 | C21 | sing | 1.39Å | 1.43Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.40Å | Aromatic |
| C20 | C21 | sing | 1.51Å | 1.52Å | |
| C20 | C19 | sing | 1.53Å | 1.52Å | |
| C12 | N13 | sing | 1.47Å | 1.46Å | |
| C21 | C28 | doub | 1.38Å | 1.36Å | Aromatic |
| C19 | N18 | sing | 1.47Å | 1.48Å | |
| C26 | C27 | doub | 1.38Å | 1.40Å | Aromatic |
| N13 | C14 | sing | 1.35Å | 1.32Å | Aromatic |
| N13 | C36 | sing | 1.38Å | 1.36Å | Aromatic |
| C14 | C15 | doub | 1.36Å | 1.40Å | Aromatic |
| C28 | C27 | sing | 1.39Å | 1.43Å | Aromatic |
| C28 | C29 | sing | 1.51Å | 1.56Å | |
| N18 | C29 | sing | 1.47Å | 1.49Å | |
| N18 | C16 | sing | 1.35Å | 1.46Å | |
| C36 | C35 | doub | 1.39Å | 1.43Å | Aromatic |
| C36 | C30 | sing | 1.41Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.47Å | 1.55Å | |
| C15 | C30 | sing | 1.47Å | 1.43Å | Aromatic |
| C35 | C34 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | O17 | doub | 1.22Å | 1.19Å | |
| C30 | C31 | doub | 1.39Å | 1.42Å | Aromatic |
| C34 | C32 | doub | 1.39Å | 1.40Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.40Å | Aromatic |
| C32 | BR33 | sing | 1.89Å | 1.94Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| C02 | H5 | sing | 1.09Å | 1.10Å | |
| C06 | H6 | sing | 1.09Å | 1.10Å | |
| C06 | H7 | sing | 1.09Å | 1.10Å | |
| C07 | H8 | sing | 1.09Å | 1.10Å | |
| C08 | H9 | sing | 1.09Å | 1.10Å | |
| C08 | H10 | sing | 1.09Å | 1.10Å | |
| N09 | H11 | sing | 0.97Å | 1.00Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C24 | H19 | sing | 1.09Å | 1.10Å | |
| C24 | H20 | sing | 1.09Å | 1.10Å | |
| C24 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.08Å | 1.08Å | |
| C26 | H23 | sing | 1.08Å | 1.08Å | |
| C27 | H24 | sing | 1.08Å | 1.08Å | |
| C29 | H25 | sing | 1.09Å | 1.10Å | |
| C29 | H26 | sing | 1.09Å | 1.10Å | |
| C31 | H27 | sing | 1.08Å | 1.08Å | |
| C34 | H28 | sing | 1.08Å | 1.08Å | |
| C35 | H29 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 113.3° | 109.5° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.4° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.4° |
| C01 | C02 | H4 | 108.5° | 109.5° |
| C01 | C02 | H5 | 108.5° | 109.4° |
| C02 | C03 | N05 | 119.8° | 120.0° |
| C02 | C03 | O04 | 121.5° | 120.0° |
| C03 | C02 | H4 | 108.5° | 109.5° |
| C03 | C02 | H5 | 108.5° | 109.5° |
| N05 | C08 | C07 | 89.6° | 87.9° |
| C08 | N05 | C03 | 135.7° | 136.0° |
| C08 | N05 | C06 | 89.7° | 87.9° |
| N05 | C08 | H9 | 114.2° | 113.5° |
| N05 | C08 | H10 | 114.2° | 113.5° |
| C08 | C07 | C06 | 90.2° | 83.3° |
| C08 | C07 | N09 | 110.6° | 114.4° |
| C08 | C07 | H8 | 113.6° | 114.3° |
| C07 | C08 | H9 | 114.2° | 113.5° |
| C07 | C08 | H10 | 114.2° | 113.5° |
| N05 | C03 | O04 | 118.7° | 120.0° |
| C03 | N05 | C06 | 134.6° | 136.1° |
| N05 | C06 | C07 | 89.8° | 88.0° |
| N05 | C06 | H6 | 114.1° | 113.5° |
| N05 | C06 | H7 | 114.1° | 113.5° |
| C06 | C07 | N09 | 112.7° | 114.2° |
| C07 | C06 | H6 | 114.2° | 113.4° |
| C07 | C06 | H7 | 114.2° | 113.5° |
| C06 | C07 | H8 | 113.6° | 114.2° |
| C07 | N09 | C10 | 122.6° | 120.0° |
| N09 | C07 | H8 | 114.0° | 113.3° |
| C07 | N09 | H11 | 118.7° | 120.0° |
| C24 | O23 | C22 | 117.7° | 117.0° |
| O23 | C24 | H19 | 109.5° | 109.5° |
| O23 | C24 | H20 | 109.5° | 109.5° |
| O23 | C24 | H21 | 109.4° | 109.5° |
| N09 | C10 | O11 | 121.6° | 120.0° |
| N09 | C10 | C12 | 117.6° | 120.0° |
| C10 | N09 | H11 | 118.7° | 120.0° |
| O23 | C22 | C25 | 122.4° | 119.7° |
| O23 | C22 | C21 | 118.8° | 119.8° |
| O11 | C10 | C12 | 120.7° | 120.0° |
| C10 | C12 | N13 | 111.1° | 109.5° |
| C10 | C12 | H12 | 109.0° | 109.5° |
| C10 | C12 | H13 | 109.1° | 109.5° |
| C25 | C22 | C21 | 118.8° | 120.5° |
| C22 | C25 | C26 | 120.7° | 119.7° |
| C22 | C25 | H22 | 119.7° | 120.1° |
| C22 | C21 | C20 | 119.7° | 117.7° |
| C22 | C21 | C28 | 120.7° | 119.5° |
| C25 | C26 | C27 | 120.2° | 119.8° |
| C26 | C25 | H22 | 119.6° | 120.2° |
| C25 | C26 | H23 | 119.9° | 120.1° |
| C21 | C20 | C19 | 111.8° | 110.9° |
| C20 | C21 | C28 | 119.5° | 122.9° |
| C21 | C20 | H17 | 108.9° | 109.2° |
| C21 | C20 | H18 | 108.9° | 109.2° |
| C20 | C19 | N18 | 117.3° | 107.9° |
| C20 | C19 | H15 | 107.5° | 109.8° |
| C20 | C19 | H16 | 107.5° | 109.8° |
| C19 | C20 | H17 | 108.9° | 109.2° |
| C19 | C20 | H18 | 108.9° | 109.2° |
| C12 | N13 | C14 | 124.0° | 124.8° |
| C12 | N13 | C36 | 125.4° | 124.8° |
| N13 | C12 | H12 | 109.0° | 109.5° |
| N13 | C12 | H13 | 109.1° | 109.5° |
| C21 | C28 | C27 | 120.5° | 119.8° |
| C21 | C28 | C29 | 120.4° | 122.4° |
| C19 | N18 | C29 | 117.9° | 117.3° |
| C19 | N18 | C16 | 121.3° | 121.4° |
| N18 | C19 | H15 | 107.5° | 109.8° |
| N18 | C19 | H16 | 107.5° | 109.7° |
| C26 | C27 | C28 | 119.1° | 120.7° |
| C27 | C26 | H23 | 119.9° | 120.1° |
| C26 | C27 | H24 | 120.5° | 119.7° |
| C14 | N13 | C36 | 110.5° | 110.5° |
| N13 | C14 | C15 | 108.8° | 109.8° |
| N13 | C14 | H14 | 125.6° | 125.1° |
| N13 | C36 | C35 | 131.3° | 133.2° |
| N13 | C36 | C30 | 108.2° | 107.4° |
| C14 | C15 | C16 | 125.7° | 126.7° |
| C14 | C15 | C30 | 106.2° | 106.5° |
| C15 | C14 | H14 | 125.6° | 125.1° |
| C27 | C28 | C29 | 119.1° | 117.8° |
| C28 | C27 | H24 | 120.5° | 119.6° |
| C28 | C29 | N18 | 114.6° | 109.7° |
| C28 | C29 | H25 | 108.2° | 109.3° |
| C28 | C29 | H26 | 108.2° | 109.6° |
| C29 | N18 | C16 | 120.9° | 121.3° |
| N18 | C29 | H25 | 108.2° | 109.4° |
| N18 | C29 | H26 | 108.2° | 109.4° |
| N18 | C16 | C15 | 121.5° | 120.1° |
| N18 | C16 | O17 | 119.5° | 120.0° |
| C35 | C36 | C30 | 120.5° | 119.4° |
| C36 | C35 | C34 | 120.0° | 119.9° |
| C36 | C35 | H29 | 120.0° | 120.0° |
| C36 | C30 | C15 | 106.4° | 105.9° |
| C36 | C30 | C31 | 119.3° | 120.1° |
| C16 | C15 | C30 | 128.1° | 126.8° |
| C15 | C16 | O17 | 119.0° | 120.0° |
| C15 | C30 | C31 | 134.3° | 134.0° |
| C35 | C34 | C32 | 119.6° | 120.6° |
| C35 | C34 | H28 | 120.2° | 119.7° |
| C34 | C35 | H29 | 120.0° | 120.0° |
| C30 | C31 | C32 | 120.1° | 119.7° |
| C30 | C31 | H27 | 119.9° | 120.2° |
| C34 | C32 | C31 | 120.5° | 120.3° |
| C34 | C32 | BR33 | 119.6° | 119.9° |
| C32 | C34 | H28 | 120.2° | 119.7° |
| C31 | C32 | BR33 | 119.9° | 119.8° |
| C32 | C31 | H27 | 119.9° | 120.2° |
| H1 | C01 | H2 | 109.4° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H4 | C02 | H5 | 109.4° | 109.4° |
| H6 | C06 | H7 | 109.4° | 112.8° |
| H9 | C08 | H10 | 109.5° | 112.8° |
| H12 | C12 | H13 | 109.5° | 109.5° |
| H15 | C19 | H16 | 109.4° | 109.8° |
| H17 | C20 | H18 | 109.5° | 109.2° |
| H19 | C24 | H20 | 109.5° | 109.5° |
| H19 | C24 | H21 | 109.5° | 109.4° |
| H20 | C24 | H21 | 109.5° | 109.5° |
| H25 | C29 | H26 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | H4 | 120.6° | 120.1° |
| C01 | C02 | C03 | H5 | 120.6° | 120.0° |
| C01 | C02 | C03 | N05 | 110.7° | 179.9° |
| C01 | C02 | C03 | O04 | 69.6° | 0.0° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 119.9° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | C02 | H4 | H5 | 118.3° | 119.9° |
| C02 | C03 | N05 | C08 | 0.4° | 0.4° |
| C02 | C03 | N05 | O04 | 179.7° | 179.9° |
| C02 | C03 | N05 | C06 | 180.0° | 179.9° |
| C03 | C02 | C01 | H1 | 180.0° | 59.9° |
| C03 | C02 | C01 | H2 | 60.0° | 180.0° |
| C03 | C02 | C01 | H3 | 60.0° | 60.0° |
| C03 | C02 | H4 | H5 | 118.2° | 120.0° |
| N05 | C08 | C07 | H9 | 116.5° | 114.8° |
| N05 | C08 | C07 | H10 | 116.5° | 114.7° |
| C08 | N05 | C03 | C06 | 179.6° | 179.5° |
| C08 | N05 | C03 | O04 | 179.9° | 179.6° |
| N05 | C08 | C07 | C06 | 6.5° | 26.3° |
| N05 | C08 | C07 | N09 | 120.8° | 87.3° |
| C08 | N05 | C06 | H6 | 110.1° | 142.1° |
| C08 | N05 | C06 | H7 | 123.0° | 87.5° |
| N05 | C08 | C07 | H8 | 109.5° | 139.8° |
| N05 | C08 | H9 | H10 | 129.4° | 130.8° |
| C07 | C08 | N05 | C03 | 173.3° | 153.0° |
| C08 | C07 | C06 | N09 | 112.5° | 113.8° |
| C08 | C07 | C06 | H8 | 116.0° | 113.6° |
| C08 | C07 | N09 | H8 | 129.4° | 133.3° |
| C08 | C07 | N09 | C10 | 153.6° | 111.4° |
| C08 | C07 | C06 | H6 | 110.1° | 141.0° |
| C08 | C07 | C06 | H7 | 123.0° | 88.5° |
| C07 | C08 | H9 | H10 | 129.4° | 130.9° |
| C08 | C07 | N09 | H11 | 26.4° | 68.6° |
| C03 | N05 | C06 | C07 | 173.3° | 153.0° |
| N05 | C03 | C02 | H4 | 9.9° | 60.0° |
| N05 | C03 | C02 | H5 | 128.7° | 60.0° |
| C03 | N05 | C06 | H6 | 70.2° | 38.3° |
| C03 | N05 | C06 | H7 | 56.7° | 92.2° |
| C03 | N05 | C08 | H9 | 56.8° | 92.2° |
| C03 | N05 | C08 | H10 | 70.2° | 38.2° |
| O04 | C03 | N05 | C06 | 0.3° | 0.1° |
| O04 | C03 | C02 | H4 | 169.8° | 120.1° |
| O04 | C03 | C02 | H5 | 51.0° | 120.0° |
| N05 | C06 | C07 | H6 | 116.5° | 114.8° |
| N05 | C06 | C07 | H7 | 116.5° | 114.8° |
| N05 | C06 | C07 | N09 | 119.0° | 87.5° |
| N05 | C06 | H6 | H7 | 129.3° | 130.8° |
| N05 | C06 | C07 | H8 | 109.5° | 139.9° |
| C06 | N05 | C08 | H9 | 122.9° | 87.4° |
| C06 | N05 | C08 | H10 | 110.1° | 142.1° |
| C06 | C07 | N09 | H8 | 131.3° | 133.1° |
| C06 | C07 | N09 | C10 | 54.4° | 155.0° |
| C07 | C06 | H6 | H7 | 129.4° | 130.8° |
| C06 | C07 | C08 | H9 | 122.9° | 88.5° |
| C06 | C07 | C08 | H10 | 110.0° | 141.0° |
| C06 | C07 | N09 | H11 | 125.6° | 25.0° |
| C07 | N09 | C10 | H11 | 180.0° | 180.0° |
| C07 | N09 | C10 | O11 | 0.0° | 0.0° |
| C07 | N09 | C10 | C12 | 180.0° | 180.0° |
| N09 | C07 | C06 | H6 | 2.4° | 27.3° |
| N09 | C07 | C06 | H7 | 124.5° | 157.7° |
| N09 | C07 | C08 | H9 | 122.7° | 157.9° |
| N09 | C07 | C08 | H10 | 4.4° | 27.4° |
| C24 | O23 | C22 | C25 | 19.4° | 0.0° |
| C24 | O23 | C22 | C21 | 161.2° | 179.9° |
| O23 | C24 | H19 | H20 | 120.0° | 120.0° |
| O23 | C24 | H19 | H21 | 120.0° | 120.0° |
| O23 | C24 | H20 | H21 | 120.0° | 120.0° |
| N09 | C10 | O11 | C12 | 180.0° | 180.0° |
| N09 | C10 | C12 | N13 | 171.2° | 180.0° |
| C10 | N09 | C07 | H8 | 77.0° | 21.9° |
| N09 | C10 | C12 | H12 | 50.9° | 60.0° |
| N09 | C10 | C12 | H13 | 68.6° | 60.0° |
| O23 | C22 | C25 | C21 | 179.5° | 179.9° |
| O23 | C22 | C25 | C26 | 179.9° | 180.0° |
| O23 | C22 | C21 | C20 | 0.7° | 0.5° |
| O23 | C22 | C21 | C28 | 179.8° | 179.6° |
| C22 | O23 | C24 | H19 | 180.0° | 180.0° |
| C22 | O23 | C24 | H20 | 60.0° | 60.0° |
| C22 | O23 | C24 | H21 | 60.0° | 60.0° |
| O23 | C22 | C25 | H22 | 0.2° | 0.0° |
| O11 | C10 | C12 | N13 | 8.8° | 0.0° |
| O11 | C10 | N09 | H11 | 180.0° | 180.0° |
| O11 | C10 | C12 | H12 | 129.0° | 120.0° |
| O11 | C10 | C12 | H13 | 111.5° | 120.0° |
| C10 | C12 | N13 | H12 | 120.2° | 120.0° |
| C10 | C12 | N13 | H13 | 120.3° | 120.0° |
| C10 | C12 | N13 | C14 | 93.8° | 95.0° |
| C10 | C12 | N13 | C36 | 86.5° | 84.7° |
| C12 | C10 | N09 | H11 | 0.0° | 0.0° |
| C10 | C12 | H12 | H13 | 119.2° | 120.0° |
| C22 | C25 | C26 | H22 | 180.0° | 180.0° |
| C25 | C22 | C21 | C20 | 179.8° | 179.6° |
| C25 | C22 | C21 | C28 | 0.3° | 0.3° |
| C22 | C25 | C26 | C27 | 0.3° | 0.2° |
| C22 | C25 | C26 | H23 | 179.7° | 179.8° |
| C21 | C22 | C25 | C26 | 0.4° | 0.2° |
| C22 | C21 | C20 | C28 | 179.5° | 179.8° |
| C22 | C21 | C20 | C19 | 144.9° | 159.9° |
| C22 | C21 | C28 | C27 | 0.1° | 0.6° |
| C22 | C21 | C28 | C29 | 179.4° | 178.7° |
| C22 | C21 | C20 | H17 | 24.6° | 39.6° |
| C22 | C21 | C20 | H18 | 94.7° | 79.7° |
| C21 | C22 | C25 | H22 | 179.6° | 179.8° |
| C25 | C26 | C27 | H23 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 0.2° | 0.1° |
| C25 | C26 | C27 | H24 | 179.9° | 180.0° |
| C21 | C20 | C19 | H17 | 120.3° | 120.3° |
| C21 | C20 | C19 | H18 | 120.4° | 120.4° |
| C21 | C20 | C19 | N18 | 43.6° | 47.5° |
| C20 | C21 | C28 | C27 | 179.7° | 179.2° |
| C20 | C21 | C28 | C29 | 0.1° | 1.5° |
| C21 | C20 | C19 | H15 | 77.6° | 72.1° |
| C21 | C20 | C19 | H16 | 164.7° | 167.1° |
| C21 | C20 | H17 | H18 | 119.0° | 119.3° |
| C19 | C20 | C21 | C28 | 35.5° | 20.2° |
| C20 | C19 | N18 | H15 | 121.1° | 119.6° |
| C20 | C19 | N18 | H16 | 121.2° | 119.6° |
| C20 | C19 | N18 | C29 | 15.9° | 64.3° |
| C20 | C19 | N18 | C16 | 164.3° | 115.5° |
| C20 | C19 | H15 | H16 | 116.4° | 120.8° |
| C19 | C20 | H17 | H18 | 119.0° | 119.4° |
| C12 | N13 | C14 | C36 | 179.7° | 179.7° |
| C12 | N13 | C14 | C15 | 179.8° | 180.0° |
| C12 | N13 | C36 | C35 | 0.2° | 0.8° |
| C12 | N13 | C36 | C30 | 179.7° | 179.8° |
| N13 | C12 | H12 | H13 | 119.2° | 120.0° |
| C12 | N13 | C14 | H14 | 0.2° | 0.0° |
| C21 | C28 | C27 | C26 | 0.1° | 0.6° |
| C21 | C28 | C27 | C29 | 179.6° | 179.3° |
| C21 | C28 | C29 | N18 | 29.0° | 11.5° |
| C28 | C21 | C20 | H17 | 155.8° | 140.6° |
| C28 | C21 | C20 | H18 | 84.9° | 100.2° |
| C21 | C28 | C27 | H24 | 179.9° | 179.5° |
| C21 | C28 | C29 | H25 | 91.8° | 131.4° |
| C21 | C28 | C29 | H26 | 149.7° | 108.6° |
| C19 | N18 | C29 | C28 | 19.8° | 44.4° |
| C19 | N18 | C29 | C16 | 179.9° | 179.8° |
| C19 | N18 | C16 | C15 | 0.9° | 175.6° |
| C19 | N18 | C16 | O17 | 179.7° | 4.4° |
| N18 | C19 | H15 | H16 | 116.5° | 120.7° |
| N18 | C19 | C20 | H17 | 163.9° | 167.9° |
| N18 | C19 | C20 | H18 | 76.8° | 72.8° |
| C19 | N18 | C29 | H25 | 101.0° | 164.2° |
| C19 | N18 | C29 | H26 | 140.5° | 75.9° |
| C26 | C27 | C28 | H24 | 180.0° | 179.9° |
| C26 | C27 | C28 | C29 | 179.5° | 178.8° |
| C27 | C26 | C25 | H22 | 179.7° | 179.8° |
| N13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C14 | N13 | C36 | C35 | 179.9° | 179.5° |
| C14 | N13 | C36 | C30 | 0.1° | 0.4° |
| N13 | C14 | C15 | C16 | 179.4° | 180.0° |
| N13 | C14 | C15 | C30 | 0.7° | 0.0° |
| C14 | N13 | C12 | H12 | 26.4° | 145.0° |
| C14 | N13 | C12 | H13 | 145.9° | 25.0° |
| C36 | N13 | C14 | C15 | 0.5° | 0.3° |
| N13 | C36 | C35 | C30 | 179.9° | 179.0° |
| N13 | C36 | C30 | C15 | 0.4° | 0.4° |
| N13 | C36 | C35 | C34 | 180.0° | 179.6° |
| N13 | C36 | C30 | C31 | 179.9° | 179.8° |
| C36 | N13 | C12 | H12 | 153.2° | 35.3° |
| C36 | N13 | C12 | H13 | 33.7° | 155.3° |
| C36 | N13 | C14 | H14 | 179.5° | 179.7° |
| N13 | C36 | C35 | H29 | 0.0° | 0.7° |
| C14 | C15 | C16 | N18 | 23.8° | 43.4° |
| C14 | C15 | C30 | C36 | 0.7° | 0.3° |
| C14 | C15 | C16 | C30 | 178.4° | 180.0° |
| C14 | C15 | C16 | O17 | 155.0° | 136.6° |
| C14 | C15 | C30 | C31 | 180.0° | 180.0° |
| C27 | C28 | C29 | N18 | 151.4° | 169.1° |
| C28 | C27 | C26 | H23 | 179.9° | 179.9° |
| C27 | C28 | C29 | H25 | 87.8° | 49.2° |
| C27 | C28 | C29 | H26 | 30.7° | 70.7° |
| C28 | C29 | N18 | H25 | 120.7° | 119.8° |
| C28 | C29 | N18 | H26 | 120.8° | 120.3° |
| C28 | C29 | N18 | C16 | 160.1° | 135.4° |
| C29 | C28 | C27 | H24 | 0.5° | 1.1° |
| C28 | C29 | H25 | H26 | 117.7° | 120.1° |
| C29 | N18 | C16 | C15 | 179.0° | 4.1° |
| C29 | N18 | C16 | O17 | 0.2° | 175.9° |
| C29 | N18 | C19 | H15 | 105.2° | 55.4° |
| C29 | N18 | C19 | H16 | 137.0° | 176.2° |
| N18 | C29 | H25 | H26 | 117.7° | 119.9° |
| N18 | C16 | C15 | O17 | 178.8° | 180.0° |
| N18 | C16 | C15 | C30 | 157.8° | 136.5° |
| C16 | N18 | C19 | H15 | 74.6° | 124.9° |
| C16 | N18 | C19 | H16 | 43.1° | 4.1° |
| C16 | N18 | C29 | H25 | 79.2° | 15.6° |
| C16 | N18 | C29 | H26 | 39.3° | 104.4° |
| C35 | C36 | C30 | C15 | 179.7° | 179.6° |
| C36 | C35 | C34 | H29 | 180.0° | 179.7° |
| C35 | C36 | C30 | C31 | 0.2° | 0.6° |
| C36 | C35 | C34 | C32 | 0.0° | 0.4° |
| C36 | C35 | C34 | H28 | 180.0° | 179.7° |
| C36 | C30 | C15 | C16 | 179.3° | 179.8° |
| C36 | C30 | C15 | C31 | 179.4° | 179.7° |
| C30 | C36 | C35 | C34 | 0.1° | 0.7° |
| C36 | C30 | C31 | C32 | 0.2° | 0.3° |
| C36 | C30 | C31 | H27 | 179.7° | 179.8° |
| C30 | C36 | C35 | H29 | 179.9° | 179.7° |
| C16 | C15 | C30 | C31 | 1.3° | 0.1° |
| C16 | C15 | C14 | H14 | 0.6° | 0.0° |
| C30 | C15 | C16 | O17 | 23.3° | 43.5° |
| C15 | C30 | C31 | C32 | 179.6° | 179.9° |
| C30 | C15 | C14 | H14 | 179.3° | 180.0° |
| C15 | C30 | C31 | H27 | 0.4° | 0.1° |
| C35 | C34 | C32 | H28 | 180.0° | 179.9° |
| C35 | C34 | C32 | C31 | 0.1° | 0.0° |
| C35 | C34 | C32 | BR33 | 179.9° | 180.0° |
| C30 | C31 | C32 | C34 | 0.2° | 0.0° |
| C30 | C31 | C32 | H27 | 180.0° | 180.0° |
| C30 | C31 | C32 | BR33 | 179.8° | 180.0° |
| C34 | C32 | C31 | BR33 | 180.0° | 180.0° |
| C34 | C32 | C31 | H27 | 179.8° | 179.9° |
| C32 | C34 | C35 | H29 | 180.0° | 180.0° |
| C31 | C32 | C34 | H28 | 179.9° | 179.9° |
| BR33 | C32 | C31 | H27 | 0.2° | 0.1° |
| BR33 | C32 | C34 | H28 | 0.1° | 0.1° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H1 | C01 | C02 | H4 | 59.4° | 180.0° |
| H1 | C01 | C02 | H5 | 59.4° | 60.0° |
| H2 | C01 | C02 | H4 | 60.6° | 60.0° |
| H2 | C01 | C02 | H5 | 179.4° | 60.0° |
| H3 | C01 | C02 | H4 | 179.4° | 60.1° |
| H3 | C01 | C02 | H5 | 60.6° | 180.0° |
| H6 | C06 | C07 | H8 | 134.0° | 105.4° |
| H7 | C06 | C07 | H8 | 7.0° | 25.1° |
| H8 | C07 | C08 | H9 | 7.0° | 25.0° |
| H8 | C07 | C08 | H10 | 134.0° | 105.5° |
| H8 | C07 | N09 | H11 | 103.1° | 158.0° |
| H15 | C19 | C20 | H17 | 42.8° | 48.2° |
| H15 | C19 | C20 | H18 | 162.1° | 167.5° |
| H16 | C19 | C20 | H17 | 75.0° | 72.6° |
| H16 | C19 | C20 | H18 | 44.4° | 46.7° |
| H19 | C24 | H20 | H21 | 120.0° | 120.0° |
| H22 | C25 | C26 | H23 | 0.3° | 0.2° |
| H23 | C26 | C27 | H24 | 0.1° | 0.0° |
| H28 | C34 | C35 | H29 | 0.0° | 0.0° |
