OOV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C28 | N05 | sing | 1.46Å | 1.46Å | |
| C29 | N05 | sing | 1.46Å | 1.47Å | |
| C32 | C30 | sing | 1.53Å | 1.53Å | |
| N05 | C27 | sing | 1.35Å | 1.41Å | |
| C30 | C26 | sing | 1.53Å | 1.53Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C26 | C25 | sing | 1.53Å | 1.55Å | |
| C27 | C25 | sing | 1.51Å | 1.53Å | |
| C27 | O02 | doub | 1.21Å | 1.22Å | |
| C25 | N04 | sing | 1.47Å | 1.47Å | |
| N04 | C22 | sing | 1.47Å | 1.47Å | |
| C23 | C22 | sing | 1.53Å | 1.54Å | |
| C23 | C24 | sing | 1.53Å | 1.54Å | |
| C22 | C21 | sing | 1.53Å | 1.53Å | |
| C24 | C19 | sing | 1.53Å | 1.52Å | |
| C21 | C20 | sing | 1.53Å | 1.51Å | |
| C19 | C20 | sing | 1.53Å | 1.54Å | |
| C19 | N03 | sing | 1.46Å | 1.46Å | |
| N03 | C05 | sing | 1.37Å | 1.40Å | Aromatic |
| N03 | C02 | sing | 1.37Å | 1.36Å | Aromatic |
| C05 | C06 | doub | 1.36Å | 1.40Å | Aromatic |
| N02 | C02 | doub | 1.33Å | 1.37Å | Aromatic |
| N02 | C01 | sing | 1.32Å | 1.35Å | Aromatic |
| C02 | C03 | sing | 1.41Å | 1.42Å | Aromatic |
| C01 | N01 | doub | 1.32Å | 1.36Å | Aromatic |
| C06 | C03 | sing | 1.47Å | 1.45Å | Aromatic |
| C06 | C07 | sing | 1.48Å | 1.44Å | |
| C03 | C04 | doub | 1.40Å | 1.41Å | Aromatic |
| C12 | C07 | doub | 1.39Å | 1.41Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.41Å | Aromatic |
| C07 | C08 | sing | 1.39Å | 1.39Å | Aromatic |
| N01 | C04 | sing | 1.33Å | 1.36Å | Aromatic |
| C11 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
| C04 | N06 | sing | 1.38Å | 1.39Å | |
| C08 | C09 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | C09 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | O01 | sing | 1.36Å | 1.39Å | |
| O01 | C13 | sing | 1.36Å | 1.37Å | |
| C13 | C14 | doub | 1.39Å | 1.41Å | Aromatic |
| C13 | C18 | sing | 1.39Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C01 | H1 | sing | 1.08Å | 1.08Å | |
| C05 | H2 | sing | 1.08Å | 1.08Å | |
| C08 | H3 | sing | 1.08Å | 1.08Å | |
| C09 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.08Å | 1.08Å | |
| C12 | H6 | sing | 1.08Å | 1.08Å | |
| C14 | H7 | sing | 1.08Å | 1.08Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| C16 | H9 | sing | 1.08Å | 1.08Å | |
| C17 | H10 | sing | 1.08Å | 1.08Å | |
| C18 | H11 | sing | 1.08Å | 1.08Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C21 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C22 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| C24 | H20 | sing | 1.09Å | 1.10Å | |
| C24 | H21 | sing | 1.09Å | 1.10Å | |
| N04 | H22 | sing | 1.01Å | 1.00Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C26 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C28 | H27 | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H30 | sing | 1.09Å | 1.10Å | |
| C29 | H31 | sing | 1.09Å | 1.10Å | |
| C29 | H32 | sing | 1.09Å | 1.10Å | |
| N06 | H33 | sing | 0.97Å | 1.00Å | |
| N06 | H34 | sing | 0.97Å | 1.00Å | |
| C30 | H35 | sing | 1.09Å | 1.10Å | |
| C31 | H36 | sing | 1.09Å | 1.10Å | |
| C31 | H37 | sing | 1.09Å | 1.10Å | |
| C31 | H38 | sing | 1.09Å | 1.10Å | |
| C32 | H39 | sing | 1.09Å | 1.10Å | |
| C32 | H40 | sing | 1.09Å | 1.10Å | |
| C32 | H41 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C28 | N05 | C29 | 115.9° | 120.0° |
| C28 | N05 | C27 | 124.3° | 120.0° |
| N05 | C28 | H27 | 109.5° | 109.5° |
| N05 | C28 | H28 | 109.5° | 109.5° |
| N05 | C28 | H29 | 109.4° | 109.5° |
| C29 | N05 | C27 | 119.8° | 120.0° |
| N05 | C29 | H30 | 109.5° | 109.5° |
| N05 | C29 | H31 | 109.5° | 109.5° |
| N05 | C29 | H32 | 109.5° | 109.5° |
| C32 | C30 | C26 | 110.7° | 109.5° |
| C32 | C30 | C31 | 110.0° | 109.5° |
| C32 | C30 | H35 | 108.1° | 109.5° |
| C30 | C32 | H39 | 109.5° | 109.4° |
| C30 | C32 | H40 | 109.5° | 109.5° |
| C30 | C32 | H41 | 109.5° | 109.5° |
| N05 | C27 | C25 | 117.9° | 120.0° |
| N05 | C27 | O02 | 119.9° | 120.0° |
| C26 | C30 | C31 | 111.7° | 109.5° |
| C30 | C26 | C25 | 111.9° | 109.5° |
| C30 | C26 | H25 | 108.9° | 109.5° |
| C30 | C26 | H26 | 108.9° | 109.5° |
| C26 | C30 | H35 | 108.1° | 109.4° |
| C31 | C30 | H35 | 108.1° | 109.5° |
| C30 | C31 | H36 | 109.5° | 109.5° |
| C30 | C31 | H37 | 109.4° | 109.5° |
| C30 | C31 | H38 | 109.5° | 109.5° |
| C26 | C25 | C27 | 111.9° | 109.5° |
| C26 | C25 | N04 | 111.4° | 109.4° |
| C26 | C25 | H24 | 109.4° | 109.5° |
| C25 | C26 | H25 | 108.8° | 109.5° |
| C25 | C26 | H26 | 108.9° | 109.5° |
| C25 | C27 | O02 | 122.2° | 120.0° |
| C27 | C25 | N04 | 103.6° | 109.5° |
| C27 | C25 | H24 | 109.8° | 109.5° |
| C25 | N04 | C22 | 115.9° | 111.0° |
| C25 | N04 | H22 | 107.9° | 111.0° |
| N04 | C25 | H24 | 110.6° | 109.4° |
| N04 | C22 | C23 | 112.2° | 109.5° |
| N04 | C22 | C21 | 109.3° | 109.4° |
| N04 | C22 | H17 | 109.1° | 109.5° |
| C22 | N04 | H22 | 107.8° | 111.0° |
| C22 | C23 | C24 | 112.2° | 109.5° |
| C23 | C22 | C21 | 109.7° | 109.5° |
| C23 | C22 | H17 | 108.1° | 109.5° |
| C22 | C23 | H18 | 108.8° | 109.5° |
| C22 | C23 | H19 | 108.8° | 109.5° |
| C23 | C24 | C19 | 110.0° | 109.5° |
| C24 | C23 | H18 | 108.8° | 109.4° |
| C24 | C23 | H19 | 108.8° | 109.5° |
| C23 | C24 | H20 | 109.3° | 109.5° |
| C23 | C24 | H21 | 109.3° | 109.5° |
| C22 | C21 | C20 | 112.9° | 109.4° |
| C22 | C21 | H15 | 108.6° | 109.4° |
| C22 | C21 | H16 | 108.6° | 109.5° |
| C21 | C22 | H17 | 108.3° | 109.5° |
| C24 | C19 | C20 | 109.2° | 109.5° |
| C24 | C19 | N03 | 116.5° | 109.5° |
| C24 | C19 | H12 | 107.4° | 109.4° |
| C19 | C24 | H20 | 109.3° | 109.4° |
| C19 | C24 | H21 | 109.3° | 109.5° |
| C21 | C20 | C19 | 111.7° | 109.5° |
| C21 | C20 | H13 | 108.9° | 109.5° |
| C21 | C20 | H14 | 108.9° | 109.4° |
| C20 | C21 | H15 | 108.6° | 109.4° |
| C20 | C21 | H16 | 108.6° | 109.5° |
| C20 | C19 | N03 | 108.0° | 109.5° |
| C20 | C19 | H12 | 107.2° | 109.5° |
| C19 | C20 | H13 | 108.9° | 109.5° |
| C19 | C20 | H14 | 108.9° | 109.5° |
| C19 | N03 | C05 | 127.8° | 124.8° |
| C19 | N03 | C02 | 123.5° | 124.9° |
| N03 | C19 | H12 | 108.2° | 109.4° |
| C05 | N03 | C02 | 108.5° | 110.3° |
| N03 | C05 | C06 | 110.4° | 109.6° |
| N03 | C05 | H2 | 124.8° | 125.2° |
| N03 | C02 | N02 | 124.3° | 134.1° |
| N03 | C02 | C03 | 108.6° | 107.4° |
| C05 | C06 | C03 | 104.9° | 106.5° |
| C05 | C06 | C07 | 121.7° | 126.7° |
| C06 | C05 | H2 | 124.8° | 125.2° |
| C02 | N02 | C01 | 113.2° | 120.7° |
| N02 | C02 | C03 | 127.1° | 118.5° |
| N02 | C01 | N01 | 126.4° | 122.7° |
| N02 | C01 | H1 | 116.8° | 118.7° |
| C02 | C03 | C06 | 107.5° | 106.2° |
| C02 | C03 | C04 | 112.8° | 118.8° |
| C01 | N01 | C04 | 117.9° | 121.0° |
| N01 | C01 | H1 | 116.8° | 118.6° |
| C03 | C06 | C07 | 133.5° | 126.8° |
| C06 | C03 | C04 | 139.7° | 135.1° |
| C06 | C07 | C12 | 120.1° | 120.1° |
| C06 | C07 | C08 | 124.0° | 120.1° |
| C03 | C04 | N01 | 122.7° | 118.4° |
| C03 | C04 | N06 | 118.6° | 120.8° |
| C07 | C12 | C11 | 122.9° | 119.9° |
| C12 | C07 | C08 | 115.8° | 119.9° |
| C07 | C12 | H6 | 118.5° | 120.0° |
| C12 | C11 | C10 | 119.8° | 120.1° |
| C12 | C11 | H5 | 120.1° | 120.0° |
| C11 | C12 | H6 | 118.5° | 120.1° |
| C07 | C08 | C09 | 122.0° | 119.9° |
| C07 | C08 | H3 | 119.0° | 120.1° |
| N01 | C04 | N06 | 118.7° | 120.8° |
| C11 | C10 | C09 | 117.9° | 120.1° |
| C11 | C10 | O01 | 120.7° | 120.0° |
| C10 | C11 | H5 | 120.1° | 119.9° |
| C04 | N06 | H33 | 109.5° | 120.0° |
| C04 | N06 | H34 | 109.4° | 120.0° |
| C08 | C09 | C10 | 121.5° | 120.1° |
| C09 | C08 | H3 | 119.0° | 120.0° |
| C08 | C09 | H4 | 119.2° | 120.0° |
| C09 | C10 | O01 | 121.5° | 119.9° |
| C10 | C09 | H4 | 119.2° | 120.0° |
| C10 | O01 | C13 | 123.7° | 118.0° |
| O01 | C13 | C14 | 119.9° | 120.0° |
| O01 | C13 | C18 | 120.6° | 120.1° |
| C14 | C13 | C18 | 119.5° | 119.9° |
| C13 | C14 | C15 | 118.6° | 119.9° |
| C13 | C14 | H7 | 120.7° | 120.1° |
| C13 | C18 | C17 | 121.0° | 120.0° |
| C13 | C18 | H11 | 119.5° | 120.0° |
| C14 | C15 | C16 | 121.5° | 120.1° |
| C15 | C14 | H7 | 120.7° | 120.0° |
| C14 | C15 | H8 | 119.3° | 120.0° |
| C18 | C17 | C16 | 120.1° | 120.0° |
| C18 | C17 | H10 | 120.0° | 120.0° |
| C17 | C18 | H11 | 119.5° | 120.0° |
| C15 | C16 | C17 | 119.4° | 120.1° |
| C16 | C15 | H8 | 119.3° | 119.9° |
| C15 | C16 | H9 | 120.3° | 120.0° |
| C17 | C16 | H9 | 120.3° | 119.9° |
| C16 | C17 | H10 | 119.9° | 120.0° |
| H13 | C20 | H14 | 109.4° | 109.5° |
| H15 | C21 | H16 | 109.5° | 109.5° |
| H18 | C23 | H19 | 109.5° | 109.4° |
| H20 | C24 | H21 | 109.5° | 109.4° |
| H25 | C26 | H26 | 109.4° | 109.4° |
| H27 | C28 | H28 | 109.5° | 109.5° |
| H27 | C28 | H29 | 109.5° | 109.4° |
| H28 | C28 | H29 | 109.5° | 109.5° |
| H30 | C29 | H31 | 109.5° | 109.5° |
| H30 | C29 | H32 | 109.5° | 109.5° |
| H31 | C29 | H32 | 109.5° | 109.4° |
| H33 | N06 | H34 | 109.5° | 120.0° |
| H36 | C31 | H37 | 109.5° | 109.4° |
| H36 | C31 | H38 | 109.5° | 109.5° |
| H37 | C31 | H38 | 109.5° | 109.4° |
| H39 | C32 | H40 | 109.4° | 109.4° |
| H39 | C32 | H41 | 109.5° | 109.5° |
| H40 | C32 | H41 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C28 | N05 | C29 | C27 | 179.6° | 180.0° |
| C28 | N05 | C27 | C25 | 0.6° | 180.0° |
| C28 | N05 | C27 | O02 | 179.1° | 0.0° |
| N05 | C28 | H27 | H28 | 120.0° | 120.0° |
| N05 | C28 | H27 | H29 | 120.0° | 119.9° |
| N05 | C28 | H28 | H29 | 120.0° | 120.0° |
| C28 | N05 | C29 | H30 | 180.0° | 90.0° |
| C28 | N05 | C29 | H31 | 60.0° | 30.0° |
| C28 | N05 | C29 | H32 | 60.0° | 149.9° |
| C29 | N05 | C27 | C25 | 179.8° | 0.0° |
| C29 | N05 | C27 | O02 | 1.3° | 180.0° |
| C29 | N05 | C28 | H27 | 180.0° | 90.1° |
| C29 | N05 | C28 | H28 | 60.0° | 30.0° |
| C29 | N05 | C28 | H29 | 60.0° | 150.0° |
| N05 | C29 | H30 | H31 | 120.0° | 120.0° |
| N05 | C29 | H30 | H32 | 120.0° | 120.1° |
| N05 | C29 | H31 | H32 | 120.0° | 120.0° |
| C32 | C30 | C26 | C31 | 123.0° | 120.0° |
| C32 | C30 | C26 | H35 | 118.3° | 120.0° |
| C32 | C30 | C31 | H35 | 117.8° | 120.0° |
| C32 | C30 | C26 | C25 | 80.6° | 173.9° |
| C32 | C30 | C26 | H25 | 39.7° | 66.1° |
| C32 | C30 | C26 | H26 | 159.0° | 53.8° |
| C32 | C30 | C31 | H36 | 180.0° | 69.3° |
| C32 | C30 | C31 | H37 | 60.0° | 50.7° |
| C32 | C30 | C31 | H38 | 60.0° | 170.6° |
| C30 | C32 | H39 | H40 | 120.0° | 120.0° |
| C30 | C32 | H39 | H41 | 120.0° | 120.0° |
| C30 | C32 | H40 | H41 | 120.0° | 120.1° |
| N05 | C27 | C25 | C26 | 78.2° | 60.0° |
| N05 | C27 | C25 | O02 | 178.5° | 180.0° |
| N05 | C27 | C25 | N04 | 161.7° | 179.9° |
| N05 | C27 | C25 | H24 | 43.5° | 60.0° |
| C27 | N05 | C28 | H27 | 0.4° | 89.9° |
| C27 | N05 | C28 | H28 | 119.6° | 150.0° |
| C27 | N05 | C28 | H29 | 120.5° | 30.0° |
| C27 | N05 | C29 | H30 | 0.4° | 90.1° |
| C27 | N05 | C29 | H31 | 120.4° | 149.9° |
| C27 | N05 | C29 | H32 | 119.6° | 30.0° |
| C26 | C30 | C31 | H35 | 118.8° | 119.9° |
| C30 | C26 | C25 | H25 | 120.4° | 120.0° |
| C30 | C26 | C25 | H26 | 120.4° | 120.0° |
| C30 | C26 | C25 | C27 | 170.3° | 173.8° |
| C30 | C26 | C25 | N04 | 74.2° | 66.2° |
| C30 | C26 | C25 | H24 | 48.4° | 53.7° |
| C30 | C26 | H25 | H26 | 118.9° | 120.0° |
| C26 | C30 | C31 | H36 | 56.6° | 50.8° |
| C26 | C30 | C31 | H37 | 63.4° | 170.7° |
| C26 | C30 | C31 | H38 | 176.6° | 69.3° |
| C26 | C30 | C32 | H39 | 180.0° | 60.0° |
| C26 | C30 | C32 | H40 | 60.0° | 179.9° |
| C26 | C30 | C32 | H41 | 60.0° | 60.0° |
| C31 | C30 | C26 | C25 | 156.4° | 66.1° |
| C31 | C30 | C26 | H25 | 83.3° | 53.9° |
| C31 | C30 | C26 | H26 | 36.0° | 173.9° |
| C30 | C31 | H36 | H37 | 120.0° | 120.0° |
| C30 | C31 | H36 | H38 | 120.0° | 120.1° |
| C30 | C31 | H37 | H38 | 120.0° | 120.0° |
| C31 | C30 | C32 | H39 | 56.0° | 180.0° |
| C31 | C30 | C32 | H40 | 63.9° | 60.1° |
| C31 | C30 | C32 | H41 | 176.1° | 60.0° |
| C26 | C25 | C27 | N04 | 120.1° | 119.9° |
| C26 | C25 | C27 | H24 | 121.7° | 120.0° |
| C26 | C25 | C27 | O02 | 103.3° | 120.0° |
| C26 | C25 | N04 | H24 | 121.9° | 120.0° |
| C26 | C25 | N04 | C22 | 153.9° | 159.0° |
| C26 | C25 | N04 | H22 | 85.2° | 77.1° |
| C25 | C26 | H25 | H26 | 118.9° | 120.0° |
| C25 | C26 | C30 | H35 | 37.6° | 53.9° |
| C27 | C25 | N04 | H24 | 117.6° | 120.1° |
| C27 | C25 | N04 | C22 | 85.6° | 81.0° |
| C27 | C25 | N04 | H22 | 35.3° | 42.9° |
| C27 | C25 | C26 | H25 | 49.9° | 66.2° |
| C27 | C25 | C26 | H26 | 69.4° | 53.8° |
| O02 | C27 | C25 | N04 | 16.8° | 0.0° |
| O02 | C27 | C25 | H24 | 135.0° | 120.0° |
| C25 | N04 | C22 | H22 | 120.9° | 123.9° |
| C25 | N04 | C22 | C23 | 74.1° | 82.9° |
| C25 | N04 | C22 | C21 | 164.0° | 157.1° |
| C25 | N04 | C22 | H17 | 45.8° | 37.1° |
| N04 | C25 | C26 | H25 | 165.4° | 53.8° |
| N04 | C25 | C26 | H26 | 46.1° | 173.7° |
| N04 | C22 | C23 | C21 | 121.8° | 120.0° |
| N04 | C22 | C23 | H17 | 120.4° | 120.0° |
| N04 | C22 | C23 | C24 | 175.1° | 180.0° |
| N04 | C22 | C21 | H17 | 118.7° | 120.0° |
| N04 | C22 | C21 | C20 | 175.9° | 179.9° |
| N04 | C22 | C21 | H15 | 63.6° | 60.1° |
| N04 | C22 | C21 | H16 | 55.4° | 60.0° |
| N04 | C22 | C23 | H18 | 54.8° | 60.0° |
| N04 | C22 | C23 | H19 | 64.5° | 60.0° |
| C22 | N04 | C25 | H24 | 31.9° | 39.1° |
| C22 | C23 | C24 | H18 | 120.4° | 120.0° |
| C22 | C23 | C24 | H19 | 120.4° | 120.1° |
| C23 | C22 | C21 | H17 | 117.8° | 120.0° |
| C22 | C23 | C24 | C19 | 57.9° | 59.9° |
| C23 | C22 | C21 | C20 | 52.5° | 59.9° |
| C23 | C22 | C21 | H15 | 172.9° | 59.9° |
| C23 | C22 | C21 | H16 | 68.1° | 180.0° |
| C22 | C23 | H18 | H19 | 118.8° | 120.0° |
| C22 | C23 | C24 | H20 | 178.0° | 60.0° |
| C22 | C23 | C24 | H21 | 62.2° | 180.0° |
| C23 | C22 | N04 | H22 | 165.0° | 153.3° |
| C24 | C23 | C22 | C21 | 53.4° | 60.0° |
| C23 | C24 | C19 | H20 | 120.1° | 120.0° |
| C23 | C24 | C19 | H21 | 120.1° | 120.1° |
| C23 | C24 | C19 | C20 | 58.5° | 59.9° |
| C23 | C24 | C19 | N03 | 178.8° | 180.0° |
| C23 | C24 | C19 | H12 | 57.3° | 60.1° |
| C24 | C23 | C22 | H17 | 64.5° | 60.0° |
| C24 | C23 | H18 | H19 | 118.7° | 120.0° |
| C23 | C24 | H20 | H21 | 119.8° | 120.0° |
| C22 | C21 | C20 | H15 | 120.5° | 119.9° |
| C22 | C21 | C20 | H16 | 120.5° | 120.1° |
| C22 | C21 | C20 | C19 | 55.9° | 59.9° |
| C22 | C21 | C20 | H13 | 64.4° | 180.0° |
| C22 | C21 | C20 | H14 | 176.3° | 60.0° |
| C22 | C21 | H15 | H16 | 118.4° | 120.1° |
| C21 | C22 | C23 | H18 | 67.0° | 60.0° |
| C21 | C22 | C23 | H19 | 173.8° | 179.9° |
| C21 | C22 | N04 | H22 | 43.1° | 33.2° |
| C24 | C19 | C20 | C21 | 58.2° | 59.9° |
| C24 | C19 | C20 | N03 | 127.6° | 120.0° |
| C24 | C19 | C20 | H12 | 116.0° | 120.0° |
| C24 | C19 | N03 | H12 | 121.0° | 119.9° |
| C24 | C19 | N03 | C05 | 92.4° | 60.0° |
| C24 | C19 | N03 | C02 | 92.7° | 120.0° |
| C24 | C19 | C20 | H13 | 62.1° | 180.0° |
| C24 | C19 | C20 | H14 | 178.6° | 60.0° |
| C19 | C24 | C23 | H18 | 62.5° | 60.0° |
| C19 | C24 | C23 | H19 | 178.3° | 180.0° |
| C19 | C24 | H20 | H21 | 119.7° | 120.0° |
| C21 | C20 | C19 | H13 | 120.4° | 120.0° |
| C21 | C20 | C19 | H14 | 120.4° | 119.9° |
| C21 | C20 | C19 | N03 | 174.1° | 180.0° |
| C21 | C20 | C19 | H12 | 57.8° | 60.0° |
| C21 | C20 | H13 | H14 | 119.0° | 119.9° |
| C20 | C21 | H15 | H16 | 118.4° | 120.0° |
| C20 | C21 | C22 | H17 | 65.3° | 60.1° |
| C20 | C19 | N03 | H12 | 115.7° | 120.0° |
| C20 | C19 | N03 | C05 | 30.9° | 60.0° |
| C20 | C19 | N03 | C02 | 144.0° | 120.0° |
| C19 | C20 | H13 | H14 | 119.0° | 120.0° |
| C19 | C20 | C21 | H15 | 176.4° | 60.0° |
| C19 | C20 | C21 | H16 | 64.6° | 180.0° |
| C20 | C19 | C24 | H20 | 178.6° | 60.0° |
| C20 | C19 | C24 | H21 | 61.5° | 180.0° |
| C19 | N03 | C05 | C02 | 175.5° | 180.0° |
| C19 | N03 | C05 | C06 | 176.6° | 180.0° |
| C19 | N03 | C02 | N02 | 3.6° | 0.0° |
| C19 | N03 | C02 | C03 | 177.1° | 180.0° |
| C19 | N03 | C05 | H2 | 3.4° | 0.0° |
| N03 | C19 | C20 | H13 | 65.5° | 60.0° |
| N03 | C19 | C20 | H14 | 53.8° | 60.1° |
| N03 | C19 | C24 | H20 | 58.7° | 60.0° |
| N03 | C19 | C24 | H21 | 61.2° | 59.9° |
| N03 | C05 | C06 | H2 | 180.0° | 179.9° |
| C05 | N03 | C02 | N02 | 179.3° | 180.0° |
| C05 | N03 | C02 | C03 | 1.3° | 0.0° |
| N03 | C05 | C06 | C03 | 0.4° | 0.0° |
| N03 | C05 | C06 | C07 | 177.9° | 179.9° |
| C05 | N03 | C19 | H12 | 146.6° | 179.9° |
| C02 | N03 | C05 | C06 | 1.1° | 0.0° |
| N03 | C02 | N02 | C03 | 179.3° | 180.0° |
| N03 | C02 | N02 | C01 | 179.4° | 180.0° |
| N03 | C02 | C03 | C06 | 1.1° | 0.0° |
| N03 | C02 | C03 | C04 | 179.3° | 180.0° |
| C02 | N03 | C05 | H2 | 178.9° | 180.0° |
| C02 | N03 | C19 | H12 | 28.3° | 0.0° |
| C05 | C06 | C03 | C02 | 0.4° | 0.0° |
| C05 | C06 | C03 | C07 | 178.0° | 179.9° |
| C05 | C06 | C03 | C04 | 179.8° | 180.0° |
| C05 | C06 | C07 | C12 | 130.6° | 129.7° |
| C05 | C06 | C07 | C08 | 46.6° | 50.1° |
| C02 | N02 | C01 | N01 | 0.2° | 0.1° |
| N02 | C02 | C03 | C06 | 179.6° | 180.0° |
| N02 | C02 | C03 | C04 | 0.0° | 0.0° |
| C02 | N02 | C01 | H1 | 179.8° | 180.0° |
| C01 | N02 | C02 | C03 | 0.2° | 0.0° |
| N02 | C01 | N01 | H1 | 180.0° | 180.0° |
| N02 | C01 | N01 | C04 | 0.8° | 0.0° |
| C02 | C03 | C06 | C04 | 179.4° | 179.9° |
| C02 | C03 | C06 | C07 | 178.4° | 179.9° |
| C02 | C03 | C04 | N01 | 0.6° | 0.1° |
| C02 | C03 | C04 | N06 | 178.3° | 180.0° |
| C01 | N01 | C04 | C03 | 1.0° | 0.0° |
| C01 | N01 | C04 | N06 | 178.6° | 180.0° |
| C03 | C06 | C07 | C12 | 47.1° | 50.2° |
| C03 | C06 | C07 | C08 | 135.7° | 130.0° |
| C06 | C03 | C04 | N01 | 178.8° | 180.0° |
| C06 | C03 | C04 | N06 | 1.1° | 0.1° |
| C03 | C06 | C05 | H2 | 179.6° | 180.0° |
| C07 | C06 | C03 | C04 | 2.2° | 0.1° |
| C06 | C07 | C12 | C08 | 177.4° | 179.7° |
| C06 | C07 | C12 | C11 | 178.6° | 179.7° |
| C06 | C07 | C08 | C09 | 178.6° | 180.0° |
| C07 | C06 | C05 | H2 | 2.1° | 0.1° |
| C06 | C07 | C08 | H3 | 1.4° | 0.0° |
| C06 | C07 | C12 | H6 | 1.3° | 0.0° |
| C03 | C04 | N01 | N06 | 177.6° | 179.9° |
| C03 | C04 | N06 | H33 | 177.7° | 180.0° |
| C03 | C04 | N06 | H34 | 62.3° | 0.1° |
| C07 | C12 | C11 | H6 | 180.0° | 179.7° |
| C07 | C12 | C11 | C10 | 0.4° | 0.6° |
| C12 | C07 | C08 | C09 | 1.3° | 0.3° |
| C12 | C07 | C08 | H3 | 178.7° | 179.7° |
| C07 | C12 | C11 | H5 | 179.6° | 179.7° |
| C11 | C12 | C07 | C08 | 1.3° | 0.6° |
| C12 | C11 | C10 | H5 | 180.0° | 179.7° |
| C12 | C11 | C10 | C09 | 0.5° | 0.3° |
| C12 | C11 | C10 | O01 | 178.8° | 179.7° |
| C07 | C08 | C09 | H3 | 180.0° | 180.0° |
| C07 | C08 | C09 | C10 | 0.5° | 0.0° |
| C07 | C08 | C09 | H4 | 179.5° | 180.0° |
| C08 | C07 | C12 | H6 | 178.7° | 179.8° |
| C04 | N01 | C01 | H1 | 179.2° | 180.0° |
| N01 | C04 | N06 | H33 | 0.0° | 0.0° |
| N01 | C04 | N06 | H34 | 120.0° | 180.0° |
| C11 | C10 | C09 | C08 | 0.5° | 0.0° |
| C11 | C10 | C09 | O01 | 178.3° | 180.0° |
| C11 | C10 | O01 | C13 | 138.9° | 74.2° |
| C11 | C10 | C09 | H4 | 179.5° | 180.0° |
| C10 | C11 | C12 | H6 | 179.6° | 179.7° |
| C04 | N06 | H33 | H34 | 120.0° | 180.0° |
| C08 | C09 | C10 | H4 | 180.0° | 180.0° |
| C08 | C09 | C10 | O01 | 178.7° | 180.0° |
| C09 | C10 | O01 | C13 | 42.9° | 105.7° |
| C10 | C09 | C08 | H3 | 179.5° | 180.0° |
| C09 | C10 | C11 | H5 | 179.5° | 180.0° |
| C10 | O01 | C13 | C14 | 139.9° | 5.2° |
| C10 | O01 | C13 | C18 | 41.6° | 175.1° |
| O01 | C10 | C09 | H4 | 1.2° | 0.0° |
| O01 | C10 | C11 | H5 | 1.2° | 0.0° |
| O01 | C13 | C14 | C18 | 178.5° | 179.7° |
| O01 | C13 | C14 | C15 | 178.3° | 180.0° |
| O01 | C13 | C18 | C17 | 178.5° | 179.8° |
| O01 | C13 | C14 | H7 | 1.7° | 0.0° |
| O01 | C13 | C18 | H11 | 1.5° | 0.0° |
| C13 | C14 | C15 | H7 | 180.0° | 180.0° |
| C14 | C13 | C18 | C17 | 0.0° | 0.5° |
| C13 | C14 | C15 | C16 | 0.9° | 0.0° |
| C13 | C14 | C15 | H8 | 179.1° | 180.0° |
| C14 | C13 | C18 | H11 | 180.0° | 179.7° |
| C18 | C13 | C14 | C15 | 0.2° | 0.2° |
| C13 | C18 | C17 | H11 | 180.0° | 179.8° |
| C13 | C18 | C17 | C16 | 0.5° | 0.5° |
| C18 | C13 | C14 | H7 | 179.8° | 179.8° |
| C13 | C18 | C17 | H10 | 179.5° | 179.8° |
| C14 | C15 | C16 | H8 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 1.3° | 0.0° |
| C14 | C15 | C16 | H9 | 178.7° | 180.0° |
| C18 | C17 | C16 | C15 | 1.1° | 0.2° |
| C18 | C17 | C16 | H10 | 180.0° | 179.7° |
| C18 | C17 | C16 | H9 | 178.9° | 179.8° |
| C15 | C16 | C17 | H9 | 180.0° | 180.0° |
| C16 | C15 | C14 | H7 | 179.2° | 180.0° |
| C15 | C16 | C17 | H10 | 178.9° | 180.0° |
| C17 | C16 | C15 | H8 | 178.7° | 180.0° |
| C16 | C17 | C18 | H11 | 179.6° | 179.7° |
| H3 | C08 | C09 | H4 | 0.5° | 0.0° |
| H5 | C11 | C12 | H6 | 0.4° | 0.1° |
| H7 | C14 | C15 | H8 | 0.9° | 0.0° |
| H8 | C15 | C16 | H9 | 1.3° | 0.0° |
| H9 | C16 | C17 | H10 | 1.1° | 0.0° |
| H10 | C17 | C18 | H11 | 0.4° | 0.0° |
| H12 | C19 | C20 | H13 | 178.1° | 60.0° |
| H12 | C19 | C20 | H14 | 62.6° | 180.0° |
| H12 | C19 | C24 | H20 | 62.7° | 179.9° |
| H12 | C19 | C24 | H21 | 177.4° | 60.0° |
| H13 | C20 | C21 | H15 | 56.1° | 60.1° |
| H13 | C20 | C21 | H16 | 175.0° | 59.9° |
| H14 | C20 | C21 | H15 | 63.2° | 179.9° |
| H14 | C20 | C21 | H16 | 55.8° | 60.0° |
| H15 | C21 | C22 | H17 | 55.2° | 180.0° |
| H16 | C21 | C22 | H17 | 174.1° | 60.0° |
| H17 | C22 | C23 | H18 | 175.1° | 180.0° |
| H17 | C22 | C23 | H19 | 55.9° | 60.0° |
| H17 | C22 | N04 | H22 | 75.2° | 86.7° |
| H18 | C23 | C24 | H20 | 57.6° | 180.0° |
| H18 | C23 | C24 | H21 | 177.4° | 60.0° |
| H19 | C23 | C24 | H20 | 61.6° | 60.1° |
| H19 | C23 | C24 | H21 | 58.2° | 59.9° |
| H22 | N04 | C25 | H24 | 152.9° | 163.0° |
| H24 | C25 | C26 | H25 | 72.0° | 173.7° |
| H24 | C25 | C26 | H26 | 168.7° | 66.3° |
| H25 | C26 | C30 | H35 | 158.0° | 173.9° |
| H26 | C26 | C30 | H35 | 82.8° | 66.2° |
| H27 | C28 | H28 | H29 | 120.0° | 120.0° |
| H30 | C29 | H31 | H32 | 120.0° | 120.0° |
| H35 | C30 | C31 | H36 | 62.2° | 170.7° |
| H35 | C30 | C31 | H37 | 177.8° | 69.4° |
| H35 | C30 | C31 | H38 | 57.8° | 50.6° |
| H35 | C30 | C32 | H39 | 61.7° | 60.0° |
| H35 | C30 | C32 | H40 | 178.3° | 59.9° |
| H35 | C30 | C32 | H41 | 58.3° | 180.0° |
| H36 | C31 | H37 | H38 | 120.0° | 120.0° |
| H39 | C32 | H40 | H41 | 120.0° | 120.0° |
