I3T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | C19 | sing | 1.55Å | 1.55Å | |
| C20 | C21 | sing | 1.54Å | 1.55Å | |
| C19 | C18 | sing | 1.55Å | 1.55Å | |
| C21 | C17 | sing | 1.54Å | 1.57Å | |
| C18 | C17 | sing | 1.55Å | 1.56Å | |
| C17 | O01 | sing | 1.43Å | 1.44Å | |
| O01 | C02 | sing | 1.36Å | 1.41Å | |
| C02 | C03 | doub | 1.39Å | 1.41Å | Aromatic |
| C02 | C01 | sing | 1.39Å | 1.44Å | Aromatic |
| C03 | C04 | sing | 1.39Å | 1.46Å | Aromatic |
| C01 | C06 | doub | 1.37Å | 1.40Å | Aromatic |
| C04 | N01 | sing | 1.37Å | 1.43Å | Aromatic |
| C04 | C05 | doub | 1.42Å | 1.42Å | Aromatic |
| N01 | C07 | sing | 1.37Å | 1.43Å | Aromatic |
| C06 | C05 | sing | 1.40Å | 1.42Å | Aromatic |
| C05 | C08 | sing | 1.45Å | 1.48Å | Aromatic |
| C14 | C13 | sing | 1.53Å | 1.54Å | |
| C07 | C08 | doub | 1.35Å | 1.39Å | Aromatic |
| C07 | C09 | sing | 1.50Å | 1.56Å | |
| C08 | C11 | sing | 1.51Å | 1.50Å | |
| C12 | C13 | sing | 1.53Å | 1.56Å | |
| C12 | C09 | sing | 1.53Å | 1.59Å | |
| C13 | C15 | sing | 1.53Å | 1.55Å | |
| C09 | N02 | sing | 1.48Å | 1.55Å | |
| C11 | C10 | sing | 1.53Å | 1.59Å | |
| N02 | C10 | sing | 1.46Å | 1.52Å | |
| N02 | C22 | sing | 1.33Å | 1.39Å | |
| O02 | C22 | doub | 1.21Å | 1.30Å | |
| C10 | C16 | sing | 1.50Å | 1.53Å | |
| C22 | C23 | sing | 1.49Å | 1.53Å | |
| C16 | O03 | doub | 1.21Å | 1.30Å | |
| C16 | N03 | sing | 1.33Å | 1.36Å | |
| C23 | N03 | sing | 1.45Å | 1.49Å | |
| C23 | C24 | sing | 1.53Å | 1.60Å | |
| C30 | C29 | doub | 1.38Å | 1.41Å | Aromatic |
| C30 | C25 | sing | 1.38Å | 1.41Å | Aromatic |
| C29 | C28 | sing | 1.38Å | 1.41Å | Aromatic |
| C24 | C25 | sing | 1.51Å | 1.56Å | |
| C25 | C26 | doub | 1.38Å | 1.42Å | Aromatic |
| C28 | C27 | doub | 1.38Å | 1.41Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.42Å | Aromatic |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C20 | H7 | sing | 1.09Å | 1.10Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C21 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H10 | sing | 1.09Å | 1.10Å | |
| C24 | H11 | sing | 1.09Å | 1.10Å | |
| C24 | H12 | sing | 1.09Å | 1.10Å | |
| C26 | H13 | sing | 1.08Å | 1.08Å | |
| C28 | H14 | sing | 1.08Å | 1.08Å | |
| C01 | H15 | sing | 1.08Å | 1.08Å | |
| C03 | H16 | sing | 1.08Å | 1.08Å | |
| C06 | H17 | sing | 1.08Å | 1.08Å | |
| C09 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C12 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| C14 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| C19 | H29 | sing | 1.09Å | 1.10Å | |
| C23 | H30 | sing | 1.09Å | 1.10Å | |
| C27 | H31 | sing | 1.08Å | 1.08Å | |
| C29 | H32 | sing | 1.08Å | 1.08Å | |
| C30 | H33 | sing | 1.08Å | 1.08Å | |
| N01 | H34 | sing | 0.97Å | 1.00Å | |
| N03 | H35 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | C20 | C21 | 104.1° | 106.6° |
| C20 | C19 | C18 | 105.5° | 104.2° |
| C19 | C20 | H7 | 110.8° | 110.0° |
| C19 | C20 | H8 | 110.8° | 110.0° |
| C20 | C19 | H28 | 110.4° | 110.5° |
| C20 | C19 | H29 | 110.4° | 110.4° |
| C20 | C21 | C17 | 106.7° | 106.6° |
| C21 | C20 | H7 | 110.8° | 110.0° |
| C21 | C20 | H8 | 110.8° | 110.1° |
| C20 | C21 | H9 | 110.2° | 110.1° |
| C20 | C21 | H10 | 110.1° | 110.0° |
| C19 | C18 | C17 | 108.7° | 102.7° |
| C19 | C18 | H26 | 109.7° | 110.8° |
| C19 | C18 | H27 | 109.7° | 110.9° |
| C18 | C19 | H28 | 110.5° | 110.5° |
| C18 | C19 | H29 | 110.5° | 110.5° |
| C21 | C17 | C18 | 104.1° | 104.3° |
| C21 | C17 | O01 | 112.4° | 110.5° |
| C21 | C17 | H6 | 108.6° | 110.5° |
| C17 | C21 | H9 | 110.2° | 110.0° |
| C17 | C21 | H10 | 110.1° | 110.0° |
| C18 | C17 | O01 | 112.7° | 110.4° |
| C18 | C17 | H6 | 108.6° | 110.5° |
| C17 | C18 | H26 | 109.7° | 110.7° |
| C17 | C18 | H27 | 109.7° | 110.8° |
| C17 | O01 | C02 | 118.9° | 117.0° |
| O01 | C17 | H6 | 110.2° | 110.4° |
| O01 | C02 | C03 | 124.2° | 118.9° |
| O01 | C02 | C01 | 118.2° | 119.0° |
| C03 | C02 | C01 | 117.6° | 122.1° |
| C02 | C03 | C04 | 119.6° | 116.9° |
| C02 | C03 | H16 | 120.2° | 121.6° |
| C02 | C01 | C06 | 122.2° | 122.0° |
| C02 | C01 | H15 | 118.9° | 119.0° |
| C03 | C04 | N01 | 132.2° | 132.0° |
| C03 | C04 | C05 | 121.8° | 120.6° |
| C04 | C03 | H16 | 120.2° | 121.5° |
| C01 | C06 | C05 | 121.7° | 117.0° |
| C06 | C01 | H15 | 118.9° | 119.0° |
| C01 | C06 | H17 | 119.1° | 121.6° |
| N01 | C04 | C05 | 106.0° | 107.4° |
| C04 | N01 | C07 | 110.6° | 109.7° |
| C04 | N01 | H34 | 124.7° | 125.2° |
| C04 | C05 | C06 | 117.1° | 121.4° |
| C04 | C05 | C08 | 107.9° | 106.0° |
| N01 | C07 | C08 | 106.9° | 109.9° |
| N01 | C07 | C09 | 127.9° | 126.6° |
| C07 | N01 | H34 | 124.7° | 125.1° |
| C06 | C05 | C08 | 135.0° | 132.6° |
| C05 | C06 | H17 | 119.2° | 121.5° |
| C05 | C08 | C07 | 108.6° | 107.0° |
| C05 | C08 | C11 | 130.5° | 128.3° |
| C14 | C13 | C12 | 110.4° | 109.5° |
| C14 | C13 | C15 | 109.9° | 109.4° |
| C14 | C13 | H2 | 108.4° | 109.4° |
| C13 | C14 | H23 | 109.5° | 109.5° |
| C13 | C14 | H24 | 109.5° | 109.4° |
| C13 | C14 | H25 | 109.4° | 109.5° |
| C08 | C07 | C09 | 125.3° | 123.4° |
| C07 | C08 | C11 | 120.9° | 124.7° |
| C07 | C09 | C12 | 116.7° | 109.9° |
| C07 | C09 | N02 | 112.4° | 107.6° |
| C07 | C09 | H18 | 105.8° | 109.8° |
| C08 | C11 | C10 | 110.2° | 108.9° |
| C08 | C11 | H19 | 109.3° | 109.5° |
| C08 | C11 | H20 | 109.3° | 109.5° |
| C13 | C12 | C09 | 114.1° | 109.4° |
| C12 | C13 | C15 | 111.7° | 109.5° |
| C12 | C13 | H2 | 108.2° | 109.5° |
| C13 | C12 | H21 | 108.3° | 109.5° |
| C13 | C12 | H22 | 108.3° | 109.5° |
| C12 | C09 | N02 | 109.5° | 110.4° |
| C12 | C09 | H18 | 105.6° | 109.9° |
| C09 | C12 | H21 | 108.3° | 109.5° |
| C09 | C12 | H22 | 108.3° | 109.5° |
| C15 | C13 | H2 | 108.3° | 109.5° |
| C13 | C15 | H3 | 109.5° | 109.4° |
| C13 | C15 | H4 | 109.4° | 109.5° |
| C13 | C15 | H5 | 109.4° | 109.5° |
| C09 | N02 | C10 | 117.9° | 117.8° |
| C09 | N02 | C22 | 117.3° | 119.0° |
| N02 | C09 | H18 | 106.0° | 109.2° |
| C11 | C10 | N02 | 113.4° | 108.6° |
| C11 | C10 | C16 | 113.2° | 109.6° |
| C11 | C10 | H1 | 107.3° | 108.8° |
| C10 | C11 | H19 | 109.3° | 109.6° |
| C10 | C11 | H20 | 109.3° | 109.6° |
| C10 | N02 | C22 | 115.0° | 123.2° |
| N02 | C10 | C16 | 106.7° | 112.1° |
| N02 | C10 | H1 | 108.1° | 108.9° |
| N02 | C22 | O02 | 118.0° | 117.8° |
| N02 | C22 | C23 | 124.0° | 124.4° |
| O02 | C22 | C23 | 118.0° | 117.8° |
| C10 | C16 | O03 | 118.9° | 117.9° |
| C10 | C16 | N03 | 122.1° | 124.1° |
| C16 | C10 | H1 | 108.0° | 108.8° |
| C22 | C23 | N03 | 107.5° | 112.1° |
| C22 | C23 | C24 | 115.6° | 108.9° |
| C22 | C23 | H30 | 107.1° | 108.9° |
| O03 | C16 | N03 | 119.0° | 118.0° |
| C16 | N03 | C23 | 119.6° | 123.9° |
| C16 | N03 | H35 | 120.2° | 118.0° |
| N03 | C23 | C24 | 112.4° | 107.3° |
| N03 | C23 | H30 | 107.5° | 110.6° |
| C23 | N03 | H35 | 120.2° | 118.1° |
| C23 | C24 | C25 | 115.3° | 109.5° |
| C23 | C24 | H11 | 108.0° | 109.5° |
| C23 | C24 | H12 | 108.0° | 109.5° |
| C24 | C23 | H30 | 106.4° | 108.9° |
| C29 | C30 | C25 | 121.9° | 120.0° |
| C30 | C29 | C28 | 120.1° | 120.0° |
| C30 | C29 | H32 | 120.0° | 120.0° |
| C29 | C30 | H33 | 119.1° | 120.0° |
| C30 | C25 | C24 | 120.2° | 120.0° |
| C30 | C25 | C26 | 117.4° | 120.0° |
| C25 | C30 | H33 | 119.1° | 120.0° |
| C29 | C28 | C27 | 119.1° | 120.0° |
| C29 | C28 | H14 | 120.4° | 120.0° |
| C28 | C29 | H32 | 119.9° | 120.0° |
| C24 | C25 | C26 | 122.4° | 120.0° |
| C25 | C24 | H11 | 108.0° | 109.5° |
| C25 | C24 | H12 | 108.0° | 109.5° |
| C25 | C26 | C27 | 121.3° | 120.0° |
| C25 | C26 | H13 | 119.4° | 120.0° |
| C28 | C27 | C26 | 120.2° | 120.0° |
| C27 | C28 | H14 | 120.5° | 120.0° |
| C28 | C27 | H31 | 119.9° | 120.0° |
| C27 | C26 | H13 | 119.4° | 120.0° |
| C26 | C27 | H31 | 119.9° | 120.0° |
| H3 | C15 | H4 | 109.5° | 109.5° |
| H3 | C15 | H5 | 109.5° | 109.5° |
| H4 | C15 | H5 | 109.5° | 109.5° |
| H7 | C20 | H8 | 109.5° | 110.0° |
| H9 | C21 | H10 | 109.5° | 110.1° |
| H11 | C24 | H12 | 109.5° | 109.4° |
| H19 | C11 | H20 | 109.5° | 109.7° |
| H21 | C12 | H22 | 109.5° | 109.5° |
| H23 | C14 | H24 | 109.5° | 109.4° |
| H23 | C14 | H25 | 109.5° | 109.5° |
| H24 | C14 | H25 | 109.5° | 109.5° |
| H26 | C18 | H27 | 109.5° | 110.7° |
| H28 | C19 | H29 | 109.5° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | C20 | C21 | H7 | 119.2° | 119.2° |
| C19 | C20 | C21 | H8 | 119.2° | 119.3° |
| C20 | C19 | C18 | H28 | 119.3° | 118.7° |
| C20 | C19 | C18 | H29 | 119.3° | 118.6° |
| C19 | C20 | C21 | C17 | 33.1° | 0.0° |
| C20 | C19 | C18 | C17 | 17.1° | 37.8° |
| C19 | C20 | H7 | H8 | 122.5° | 121.4° |
| C19 | C20 | C21 | H9 | 152.7° | 119.3° |
| C19 | C20 | C21 | H10 | 86.4° | 119.3° |
| C20 | C19 | C18 | H26 | 136.9° | 156.1° |
| C20 | C19 | C18 | H27 | 102.8° | 80.6° |
| C20 | C19 | H28 | H29 | 121.8° | 122.6° |
| C21 | C20 | C19 | C18 | 30.5° | 23.6° |
| C20 | C21 | C17 | H9 | 119.6° | 119.3° |
| C20 | C21 | C17 | H10 | 119.6° | 119.3° |
| C20 | C21 | C17 | C18 | 22.4° | 23.6° |
| C20 | C21 | C17 | O01 | 144.6° | 142.3° |
| C20 | C21 | C17 | H6 | 93.2° | 95.2° |
| C21 | C20 | H7 | H8 | 122.5° | 121.5° |
| C20 | C21 | H9 | H10 | 121.3° | 121.5° |
| C21 | C20 | C19 | H28 | 88.8° | 142.3° |
| C21 | C20 | C19 | H29 | 149.9° | 95.1° |
| C19 | C18 | C17 | C21 | 3.2° | 37.9° |
| C19 | C18 | C17 | H26 | 119.9° | 118.3° |
| C19 | C18 | C17 | H27 | 119.9° | 118.5° |
| C19 | C18 | C17 | O01 | 125.2° | 156.6° |
| C19 | C18 | C17 | H6 | 112.4° | 80.9° |
| C18 | C19 | C20 | H7 | 88.6° | 95.7° |
| C18 | C19 | C20 | H8 | 149.7° | 142.9° |
| C19 | C18 | H26 | H27 | 120.4° | 123.5° |
| C18 | C19 | H28 | H29 | 121.9° | 122.6° |
| C21 | C17 | C18 | O01 | 122.1° | 118.7° |
| C21 | C17 | C18 | H6 | 115.5° | 118.8° |
| C21 | C17 | O01 | H6 | 121.2° | 122.6° |
| C21 | C17 | O01 | C02 | 173.2° | 155.7° |
| C17 | C21 | C20 | H7 | 86.0° | 119.3° |
| C17 | C21 | C20 | H8 | 152.3° | 119.3° |
| C17 | C21 | H9 | H10 | 121.3° | 121.4° |
| C21 | C17 | C18 | H26 | 116.7° | 156.2° |
| C21 | C17 | C18 | H27 | 123.0° | 80.6° |
| C18 | C17 | O01 | H6 | 121.5° | 122.5° |
| C18 | C17 | O01 | C02 | 69.6° | 89.4° |
| C18 | C17 | C21 | H9 | 142.0° | 95.7° |
| C18 | C17 | C21 | H10 | 97.2° | 142.9° |
| C17 | C18 | H26 | H27 | 120.4° | 123.3° |
| C17 | C18 | C19 | H28 | 102.3° | 156.6° |
| C17 | C18 | C19 | H29 | 136.4° | 80.8° |
| C17 | O01 | C02 | C03 | 2.9° | 5.8° |
| C17 | O01 | C02 | C01 | 177.1° | 174.3° |
| O01 | C17 | C21 | H9 | 95.8° | 22.9° |
| O01 | C17 | C21 | H10 | 25.1° | 98.5° |
| O01 | C17 | C18 | H26 | 5.3° | 85.1° |
| O01 | C17 | C18 | H27 | 114.9° | 38.1° |
| O01 | C02 | C03 | C01 | 180.0° | 179.9° |
| O01 | C02 | C03 | C04 | 179.8° | 179.9° |
| O01 | C02 | C01 | C06 | 180.0° | 179.8° |
| C02 | O01 | C17 | H6 | 52.0° | 33.1° |
| O01 | C02 | C01 | H15 | 0.0° | 0.1° |
| O01 | C02 | C03 | H16 | 0.2° | 0.1° |
| C02 | C03 | C04 | H16 | 180.0° | 180.0° |
| C03 | C02 | C01 | C06 | 0.0° | 0.1° |
| C02 | C03 | C04 | N01 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 0.2° | 0.1° |
| C03 | C02 | C01 | H15 | 180.0° | 179.9° |
| C01 | C02 | C03 | C04 | 0.1° | 0.0° |
| C02 | C01 | C06 | H15 | 180.0° | 179.9° |
| C02 | C01 | C06 | C05 | 0.0° | 0.1° |
| C01 | C02 | C03 | H16 | 179.8° | 180.0° |
| C02 | C01 | C06 | H17 | 180.0° | 180.0° |
| C03 | C04 | N01 | C05 | 179.8° | 179.9° |
| C03 | C04 | N01 | C07 | 179.9° | 179.9° |
| C03 | C04 | C05 | C06 | 0.2° | 0.2° |
| C03 | C04 | C05 | C08 | 179.9° | 179.7° |
| C03 | C04 | N01 | H34 | 0.1° | 0.2° |
| C01 | C06 | C05 | C04 | 0.1° | 0.1° |
| C01 | C06 | C05 | H17 | 180.0° | 179.9° |
| C01 | C06 | C05 | C08 | 179.9° | 179.8° |
| C04 | N01 | C07 | H34 | 180.0° | 179.9° |
| N01 | C04 | C05 | C06 | 180.0° | 179.9° |
| N01 | C04 | C05 | C08 | 0.1° | 0.2° |
| C04 | N01 | C07 | C08 | 0.2° | 0.1° |
| C04 | N01 | C07 | C09 | 179.6° | 179.2° |
| N01 | C04 | C03 | H16 | 0.0° | 0.0° |
| C05 | C04 | N01 | C07 | 0.2° | 0.0° |
| C04 | C05 | C06 | C08 | 179.8° | 179.9° |
| C04 | C05 | C08 | C07 | 0.1° | 0.3° |
| C04 | C05 | C08 | C11 | 179.9° | 179.5° |
| C05 | C04 | C03 | H16 | 179.7° | 179.9° |
| C04 | C05 | C06 | H17 | 179.9° | 179.9° |
| C05 | C04 | N01 | H34 | 179.8° | 179.9° |
| N01 | C07 | C08 | C05 | 0.1° | 0.3° |
| N01 | C07 | C08 | C09 | 179.5° | 179.1° |
| N01 | C07 | C08 | C11 | 180.0° | 179.6° |
| N01 | C07 | C09 | C12 | 62.6° | 47.6° |
| N01 | C07 | C09 | N02 | 169.7° | 167.8° |
| N01 | C07 | C09 | H18 | 54.4° | 73.5° |
| C06 | C05 | C08 | C07 | 179.9° | 179.8° |
| C06 | C05 | C08 | C11 | 0.1° | 0.4° |
| C05 | C06 | C01 | H15 | 180.0° | 180.0° |
| C05 | C08 | C07 | C11 | 179.9° | 179.8° |
| C05 | C08 | C07 | C09 | 179.6° | 179.4° |
| C05 | C08 | C11 | C10 | 149.6° | 163.0° |
| C08 | C05 | C06 | H17 | 0.1° | 0.3° |
| C05 | C08 | C11 | H19 | 29.4° | 77.2° |
| C05 | C08 | C11 | H20 | 90.3° | 43.2° |
| C14 | C13 | C12 | C15 | 122.6° | 120.0° |
| C14 | C13 | C12 | H2 | 118.4° | 120.0° |
| C14 | C13 | C12 | C09 | 124.6° | 47.2° |
| C14 | C13 | C15 | H2 | 118.2° | 119.9° |
| C14 | C13 | C15 | H3 | 180.0° | 180.0° |
| C14 | C13 | C15 | H4 | 60.0° | 60.0° |
| C14 | C13 | C15 | H5 | 60.0° | 60.0° |
| C14 | C13 | C12 | H21 | 114.7° | 167.1° |
| C14 | C13 | C12 | H22 | 3.9° | 72.8° |
| C13 | C14 | H23 | H24 | 120.0° | 119.9° |
| C13 | C14 | H23 | H25 | 120.0° | 120.0° |
| C13 | C14 | H24 | H25 | 120.0° | 120.0° |
| C08 | C07 | C09 | C12 | 118.0° | 131.4° |
| C08 | C07 | C09 | N02 | 9.7° | 11.2° |
| C07 | C08 | C11 | C10 | 30.5° | 17.2° |
| C08 | C07 | C09 | H18 | 124.9° | 107.5° |
| C07 | C08 | C11 | H19 | 150.7° | 102.6° |
| C07 | C08 | C11 | H20 | 89.6° | 137.1° |
| C08 | C07 | N01 | H34 | 179.8° | 179.9° |
| C09 | C07 | C08 | C11 | 0.5° | 0.4° |
| C07 | C09 | C12 | C13 | 66.2° | 60.9° |
| C07 | C09 | C12 | N02 | 129.1° | 118.5° |
| C07 | C09 | C12 | H18 | 117.2° | 121.0° |
| C07 | C09 | N02 | H18 | 115.2° | 119.1° |
| C07 | C09 | N02 | C10 | 13.2° | 45.3° |
| C07 | C09 | N02 | C22 | 157.5° | 134.5° |
| C07 | C09 | C12 | H21 | 173.1° | 59.1° |
| C07 | C09 | C12 | H22 | 54.4° | 179.1° |
| C09 | C07 | N01 | H34 | 0.4° | 0.8° |
| C08 | C11 | C10 | H19 | 120.1° | 119.7° |
| C08 | C11 | C10 | H20 | 120.1° | 119.8° |
| C08 | C11 | C10 | N02 | 51.2° | 45.6° |
| C08 | C11 | C10 | C16 | 173.0° | 168.3° |
| C08 | C11 | C10 | H1 | 68.1° | 72.8° |
| C08 | C11 | H19 | H20 | 119.6° | 120.2° |
| C13 | C12 | C09 | H21 | 120.7° | 120.0° |
| C13 | C12 | C09 | H22 | 120.7° | 120.0° |
| C12 | C13 | C15 | H2 | 119.0° | 120.1° |
| C13 | C12 | C09 | N02 | 62.9° | 179.4° |
| C12 | C13 | C15 | H3 | 57.2° | 60.0° |
| C12 | C13 | C15 | H4 | 177.2° | 180.0° |
| C12 | C13 | C15 | H5 | 62.9° | 60.0° |
| C13 | C12 | C09 | H18 | 176.6° | 60.1° |
| C13 | C12 | H21 | H22 | 117.9° | 120.0° |
| C12 | C13 | C14 | H23 | 180.0° | 173.8° |
| C12 | C13 | C14 | H24 | 60.0° | 66.3° |
| C12 | C13 | C14 | H25 | 60.0° | 53.7° |
| C09 | C12 | C13 | C15 | 112.9° | 167.1° |
| C12 | C09 | N02 | H18 | 113.4° | 120.9° |
| C12 | C09 | N02 | C10 | 144.6° | 165.2° |
| C12 | C09 | N02 | C22 | 71.1° | 14.6° |
| C09 | C12 | C13 | H2 | 6.2° | 72.8° |
| C09 | C12 | H21 | H22 | 117.9° | 120.0° |
| C13 | C15 | H3 | H4 | 120.0° | 120.0° |
| C13 | C15 | H3 | H5 | 120.0° | 120.0° |
| C13 | C15 | H4 | H5 | 120.0° | 120.0° |
| C15 | C13 | C12 | H21 | 7.8° | 72.9° |
| C15 | C13 | C12 | H22 | 126.5° | 47.1° |
| C15 | C13 | C14 | H23 | 56.4° | 53.8° |
| C15 | C13 | C14 | H24 | 176.4° | 173.7° |
| C15 | C13 | C14 | H25 | 63.6° | 66.3° |
| C09 | N02 | C10 | C11 | 43.6° | 65.3° |
| C09 | N02 | C10 | C22 | 145.1° | 179.8° |
| C09 | N02 | C22 | O02 | 17.8° | 2.8° |
| C09 | N02 | C10 | C16 | 168.9° | 173.5° |
| C09 | N02 | C22 | C23 | 162.0° | 174.9° |
| C09 | N02 | C10 | H1 | 75.2° | 53.1° |
| N02 | C09 | C12 | H21 | 57.8° | 59.4° |
| N02 | C09 | C12 | H22 | 176.4° | 60.6° |
| C11 | C10 | N02 | C16 | 125.3° | 121.2° |
| C11 | C10 | N02 | H1 | 118.8° | 118.4° |
| C11 | C10 | N02 | C22 | 171.3° | 114.5° |
| C11 | C10 | C16 | H1 | 118.6° | 118.9° |
| C11 | C10 | C16 | O03 | 17.9° | 63.6° |
| C11 | C10 | C16 | N03 | 161.8° | 116.4° |
| C10 | C11 | H19 | H20 | 119.7° | 120.4° |
| C10 | N02 | C22 | O02 | 163.2° | 176.9° |
| N02 | C10 | C16 | H1 | 116.0° | 120.4° |
| C10 | N02 | C22 | C23 | 16.6° | 5.3° |
| N02 | C10 | C16 | O03 | 143.3° | 175.7° |
| N02 | C10 | C16 | N03 | 36.4° | 4.3° |
| C10 | N02 | C09 | H18 | 102.0° | 73.9° |
| N02 | C10 | C11 | H19 | 171.3° | 74.2° |
| N02 | C10 | C11 | H20 | 68.9° | 165.4° |
| N02 | C22 | O02 | C23 | 179.8° | 177.9° |
| C22 | N02 | C10 | C16 | 46.0° | 6.7° |
| N02 | C22 | C23 | N03 | 25.8° | 0.7° |
| N02 | C22 | C23 | C24 | 152.2° | 119.3° |
| C22 | N02 | C10 | H1 | 70.0° | 127.1° |
| C22 | N02 | C09 | H18 | 42.4° | 106.3° |
| N02 | C22 | C23 | H30 | 89.5° | 122.1° |
| O02 | C22 | C23 | N03 | 154.4° | 178.5° |
| O02 | C22 | C23 | C24 | 28.0° | 62.9° |
| O02 | C22 | C23 | H30 | 90.3° | 55.7° |
| C10 | C16 | O03 | N03 | 179.7° | 180.0° |
| C10 | C16 | N03 | C23 | 6.4° | 0.3° |
| C16 | C10 | C11 | H19 | 66.9° | 48.6° |
| C16 | C10 | C11 | H20 | 52.9° | 71.9° |
| C10 | C16 | N03 | H35 | 173.5° | 179.7° |
| C22 | C23 | N03 | C16 | 37.1° | 1.7° |
| C22 | C23 | N03 | C24 | 128.3° | 119.6° |
| C22 | C23 | N03 | H30 | 115.0° | 121.8° |
| C22 | C23 | C24 | H30 | 118.7° | 118.7° |
| C22 | C23 | C24 | C25 | 59.3° | 175.0° |
| C22 | C23 | C24 | H11 | 61.5° | 65.0° |
| C22 | C23 | C24 | H12 | 179.8° | 54.9° |
| C22 | C23 | N03 | H35 | 142.9° | 178.2° |
| O03 | C16 | N03 | C23 | 173.8° | 179.7° |
| O03 | C16 | C10 | H1 | 100.7° | 55.3° |
| O03 | C16 | N03 | H35 | 6.2° | 0.3° |
| C16 | N03 | C23 | H35 | 180.0° | 180.0° |
| C16 | N03 | C23 | C24 | 165.4° | 117.8° |
| N03 | C16 | C10 | H1 | 79.6° | 124.8° |
| C16 | N03 | C23 | H30 | 77.9° | 123.5° |
| N03 | C23 | C24 | H30 | 117.4° | 119.8° |
| N03 | C23 | C24 | C25 | 64.6° | 63.4° |
| N03 | C23 | C24 | H11 | 174.6° | 56.6° |
| N03 | C23 | C24 | H12 | 56.3° | 176.5° |
| C23 | C24 | C25 | C30 | 83.3° | 90.1° |
| C23 | C24 | C25 | H11 | 120.8° | 120.0° |
| C23 | C24 | C25 | H12 | 120.9° | 120.0° |
| C23 | C24 | C25 | C26 | 96.6° | 90.0° |
| C23 | C24 | H11 | H12 | 117.3° | 120.0° |
| C24 | C23 | N03 | H35 | 14.6° | 62.2° |
| C29 | C30 | C25 | H33 | 180.0° | 179.6° |
| C30 | C29 | C28 | H32 | 180.0° | 179.4° |
| C29 | C30 | C25 | C24 | 179.9° | 180.0° |
| C29 | C30 | C25 | C26 | 0.2° | 0.1° |
| C30 | C29 | C28 | C27 | 0.0° | 0.6° |
| C30 | C29 | C28 | H14 | 180.0° | 180.0° |
| C25 | C30 | C29 | C28 | 0.1° | 0.3° |
| C30 | C25 | C24 | C26 | 179.9° | 179.9° |
| C30 | C25 | C26 | C27 | 0.2° | 0.1° |
| C30 | C25 | C24 | H11 | 37.6° | 149.9° |
| C30 | C25 | C24 | H12 | 155.9° | 29.9° |
| C30 | C25 | C26 | H13 | 179.8° | 179.8° |
| C25 | C30 | C29 | H32 | 180.0° | 179.8° |
| C29 | C28 | C27 | H14 | 180.0° | 179.4° |
| C29 | C28 | C27 | C26 | 0.0° | 0.6° |
| C29 | C28 | C27 | H31 | 180.0° | 179.5° |
| C28 | C29 | C30 | H33 | 179.9° | 180.0° |
| C24 | C25 | C26 | C27 | 179.9° | 180.0° |
| C25 | C24 | H11 | H12 | 117.4° | 120.1° |
| C24 | C25 | C26 | H13 | 0.1° | 0.3° |
| C25 | C24 | C23 | H30 | 178.0° | 56.3° |
| C24 | C25 | C30 | H33 | 0.1° | 0.4° |
| C25 | C26 | C27 | C28 | 0.1° | 0.3° |
| C25 | C26 | C27 | H13 | 180.0° | 179.7° |
| C26 | C25 | C24 | H11 | 142.5° | 30.0° |
| C26 | C25 | C24 | H12 | 24.3° | 150.0° |
| C25 | C26 | C27 | H31 | 179.9° | 179.7° |
| C26 | C25 | C30 | H33 | 179.8° | 179.7° |
| C28 | C27 | C26 | H31 | 180.0° | 179.9° |
| C28 | C27 | C26 | H13 | 179.9° | 180.0° |
| C27 | C28 | C29 | H32 | 180.0° | 180.0° |
| C26 | C27 | C28 | H14 | 180.0° | 180.0° |
| H1 | C10 | C11 | H19 | 52.1° | 167.4° |
| H1 | C10 | C11 | H20 | 171.8° | 47.0° |
| H2 | C13 | C15 | H3 | 61.8° | 60.0° |
| H2 | C13 | C15 | H4 | 58.2° | 59.9° |
| H2 | C13 | C15 | H5 | 178.1° | 179.9° |
| H2 | C13 | C12 | H21 | 126.9° | 47.1° |
| H2 | C13 | C12 | H22 | 114.5° | 167.2° |
| H2 | C13 | C14 | H23 | 61.7° | 66.2° |
| H2 | C13 | C14 | H24 | 58.3° | 53.8° |
| H2 | C13 | C14 | H25 | 178.3° | 173.8° |
| H3 | C15 | H4 | H5 | 120.0° | 120.1° |
| H6 | C17 | C21 | H9 | 26.4° | 145.5° |
| H6 | C17 | C21 | H10 | 147.2° | 24.1° |
| H6 | C17 | C18 | H26 | 127.7° | 37.4° |
| H6 | C17 | C18 | H27 | 7.5° | 160.6° |
| H7 | C20 | C21 | H9 | 33.6° | 0.0° |
| H7 | C20 | C21 | H10 | 154.4° | 121.5° |
| H7 | C20 | C19 | H28 | 152.0° | 23.1° |
| H7 | C20 | C19 | H29 | 30.7° | 145.7° |
| H8 | C20 | C21 | H9 | 88.1° | 121.4° |
| H8 | C20 | C21 | H10 | 32.7° | 0.1° |
| H8 | C20 | C19 | H28 | 30.3° | 98.3° |
| H8 | C20 | C19 | H29 | 91.0° | 24.3° |
| H11 | C24 | C23 | H30 | 57.2° | 176.3° |
| H12 | C24 | C23 | H30 | 61.1° | 63.7° |
| H13 | C26 | C27 | H31 | 0.1° | 0.0° |
| H14 | C28 | C27 | H31 | 0.0° | 0.1° |
| H14 | C28 | C29 | H32 | 0.1° | 0.6° |
| H15 | C01 | C06 | H17 | 0.0° | 0.1° |
| H18 | C09 | C12 | H21 | 55.9° | 179.9° |
| H18 | C09 | C12 | H22 | 62.7° | 59.8° |
| H23 | C14 | H24 | H25 | 120.0° | 120.1° |
| H26 | C18 | C19 | H28 | 17.6° | 85.2° |
| H26 | C18 | C19 | H29 | 103.7° | 37.5° |
| H27 | C18 | C19 | H28 | 137.8° | 38.2° |
| H27 | C18 | C19 | H29 | 16.5° | 160.8° |
| H30 | C23 | N03 | H35 | 102.1° | 56.4° |
| H32 | C29 | C30 | H33 | 0.1° | 0.6° |
