A1CSD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O35 | C34 | sing | 1.36Å | 1.37Å | |
| C34 | C33 | doub | 1.38Å | 1.51Å | Aromatic |
| C34 | C36 | sing | 1.40Å | 1.51Å | Aromatic |
| C33 | C25 | sing | 1.41Å | 1.52Å | Aromatic |
| C21 | C19 | sing | 1.53Å | 1.55Å | |
| C36 | C23 | doub | 1.38Å | 1.49Å | Aromatic |
| C25 | C26 | sing | 1.41Å | 1.52Å | Aromatic |
| C25 | C24 | doub | 1.41Å | 1.48Å | Aromatic |
| C26 | C27 | doub | 1.36Å | 1.50Å | Aromatic |
| C23 | C24 | sing | 1.41Å | 1.52Å | Aromatic |
| C23 | C16 | sing | 1.48Å | 1.49Å | |
| N17 | C16 | doub | 1.33Å | 1.40Å | Aromatic |
| N17 | C18 | sing | 1.31Å | 1.44Å | Aromatic |
| C24 | C30 | sing | 1.41Å | 1.52Å | Aromatic |
| C19 | C20 | sing | 1.53Å | 1.56Å | |
| C19 | C18 | sing | 1.51Å | 1.54Å | |
| C27 | C28 | sing | 1.39Å | 1.52Å | Aromatic |
| C16 | C14 | sing | 1.39Å | 1.53Å | Aromatic |
| C30 | C28 | doub | 1.39Å | 1.49Å | Aromatic |
| C30 | C31 | sing | 1.43Å | 1.52Å | |
| C18 | C22 | doub | 1.40Å | 1.59Å | Aromatic |
| C28 | F29 | sing | 1.35Å | 1.32Å | |
| C31 | C32 | trip | 1.17Å | 1.18Å | |
| C14 | F15 | sing | 1.35Å | 1.38Å | |
| C14 | C13 | doub | 1.39Å | 1.52Å | Aromatic |
| C22 | C13 | sing | 1.41Å | 1.36Å | Aromatic |
| C22 | C07 | sing | 1.41Å | 1.38Å | Aromatic |
| C13 | N09 | sing | 1.37Å | 1.37Å | Aromatic |
| C06 | C07 | sing | 1.51Å | 1.50Å | |
| C06 | C05 | sing | 1.57Å | 1.51Å | |
| C06 | C01 | sing | 1.53Å | 1.51Å | |
| C04 | N03 | sing | 1.49Å | 1.34Å | |
| C04 | C05 | sing | 1.54Å | 1.56Å | |
| N03 | C02 | sing | 1.49Å | 1.60Å | |
| C07 | N08 | doub | 1.30Å | 1.32Å | Aromatic |
| C05 | C01 | sing | 1.54Å | 1.53Å | |
| N09 | N08 | sing | 1.40Å | 1.38Å | Aromatic |
| N09 | C10 | sing | 1.47Å | 1.46Å | |
| C01 | C02 | sing | 1.54Å | 1.37Å | |
| C10 | C12 | sing | 1.53Å | 1.52Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C20 | H2 | sing | 1.09Å | 1.10Å | |
| C20 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H4 | sing | 1.09Å | 1.10Å | |
| C21 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C26 | H8 | sing | 1.08Å | 1.08Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C02 | H10 | sing | 1.09Å | 1.10Å | |
| C02 | 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 | |
| C06 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C27 | H21 | sing | 1.08Å | 1.08Å | |
| C32 | H22 | sing | 1.05Å | 1.06Å | |
| C33 | H23 | sing | 1.08Å | 1.08Å | |
| C36 | H24 | sing | 1.08Å | 1.08Å | |
| N03 | H25 | sing | 1.01Å | 1.00Å | |
| O35 | H27 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O35 | C34 | C33 | 120.2° | 119.6° |
| O35 | C34 | C36 | 116.3° | 119.6° |
| C34 | O35 | H27 | 109.5° | 114.0° |
| C33 | C34 | C36 | 123.5° | 120.8° |
| C34 | C33 | C25 | 116.9° | 120.0° |
| C34 | C33 | H23 | 121.5° | 120.0° |
| C34 | C36 | C23 | 117.0° | 120.5° |
| C34 | C36 | H24 | 121.5° | 119.7° |
| C33 | C25 | C26 | 117.6° | 120.9° |
| C33 | C25 | C24 | 120.7° | 119.5° |
| C25 | C33 | H23 | 121.6° | 120.0° |
| C21 | C19 | C20 | 109.0° | 109.5° |
| C21 | C19 | C18 | 107.2° | 109.4° |
| C19 | C21 | H5 | 109.5° | 109.5° |
| C19 | C21 | H6 | 109.5° | 109.5° |
| C19 | C21 | H7 | 109.5° | 109.5° |
| C21 | C19 | H20 | 111.6° | 109.5° |
| C36 | C23 | C24 | 121.7° | 119.6° |
| C36 | C23 | C16 | 114.2° | 120.2° |
| C23 | C36 | H24 | 121.5° | 119.8° |
| C26 | C25 | C24 | 121.7° | 119.5° |
| C25 | C26 | C27 | 119.8° | 120.2° |
| C25 | C26 | H8 | 120.1° | 119.9° |
| C25 | C24 | C23 | 120.2° | 119.6° |
| C25 | C24 | C30 | 119.3° | 119.4° |
| C26 | C27 | C28 | 117.5° | 121.1° |
| C27 | C26 | H8 | 120.1° | 119.9° |
| C26 | C27 | H21 | 121.3° | 119.5° |
| C24 | C23 | C16 | 123.8° | 120.2° |
| C23 | C24 | C30 | 120.5° | 121.1° |
| C23 | C16 | N17 | 125.1° | 119.4° |
| C23 | C16 | C14 | 111.0° | 119.5° |
| C16 | N17 | C18 | 117.8° | 122.3° |
| N17 | C16 | C14 | 123.7° | 121.1° |
| N17 | C18 | C19 | 114.4° | 119.8° |
| N17 | C18 | C22 | 119.8° | 120.4° |
| C24 | C30 | C28 | 118.5° | 119.3° |
| C24 | C30 | C31 | 125.1° | 120.4° |
| C20 | C19 | C18 | 105.5° | 109.5° |
| C19 | C20 | H2 | 109.5° | 109.5° |
| C19 | C20 | H3 | 109.4° | 109.5° |
| C19 | C20 | H4 | 109.5° | 109.5° |
| C20 | C19 | H20 | 111.4° | 109.5° |
| C19 | C18 | C22 | 125.9° | 119.8° |
| C18 | C19 | H20 | 111.8° | 109.5° |
| C27 | C28 | C30 | 123.2° | 120.6° |
| C27 | C28 | F29 | 121.5° | 119.7° |
| C28 | C27 | H21 | 121.2° | 119.5° |
| C16 | C14 | F15 | 125.4° | 120.6° |
| C16 | C14 | C13 | 118.5° | 118.7° |
| C28 | C30 | C31 | 116.3° | 120.4° |
| C30 | C28 | F29 | 115.3° | 119.7° |
| C30 | C31 | C32 | 177.6° | 180.0° |
| C18 | C22 | C13 | 122.4° | 119.0° |
| C18 | C22 | C07 | 132.9° | 134.3° |
| C31 | C32 | H22 | 180.0° | 179.9° |
| F15 | C14 | C13 | 115.9° | 120.7° |
| C14 | C13 | C22 | 117.8° | 118.5° |
| C14 | C13 | N09 | 133.1° | 134.8° |
| C13 | C22 | C07 | 104.7° | 106.7° |
| C22 | C13 | N09 | 109.0° | 106.7° |
| C22 | C07 | C06 | 122.5° | 125.7° |
| C22 | C07 | N08 | 112.2° | 108.7° |
| C13 | N09 | N08 | 108.4° | 108.1° |
| C13 | N09 | C10 | 126.5° | 126.0° |
| C07 | C06 | C05 | 127.7° | 117.5° |
| C07 | C06 | C01 | 120.9° | 118.1° |
| C06 | C07 | N08 | 125.1° | 125.7° |
| C07 | C06 | H15 | 112.7° | 115.5° |
| C05 | C06 | C01 | 61.0° | 59.7° |
| C06 | C05 | C04 | 130.8° | 118.2° |
| C06 | C05 | C01 | 59.6° | 58.9° |
| C06 | C05 | H14 | 114.6° | 120.5° |
| C05 | C06 | H15 | 112.4° | 117.4° |
| C06 | C01 | C05 | 59.4° | 61.4° |
| C06 | C01 | C02 | 137.3° | 118.1° |
| C06 | C01 | H9 | 110.2° | 119.6° |
| C01 | C06 | H15 | 112.4° | 117.3° |
| N03 | C04 | C05 | 100.5° | 104.6° |
| C04 | N03 | C02 | 105.8° | 104.2° |
| N03 | C04 | H12 | 111.7° | 110.3° |
| N03 | C04 | H13 | 111.6° | 110.4° |
| C04 | N03 | H25 | 110.4° | 111.0° |
| C04 | C05 | C01 | 106.9° | 105.1° |
| C05 | C04 | H12 | 111.7° | 110.4° |
| C05 | C04 | H13 | 111.7° | 110.4° |
| C04 | C05 | H14 | 113.7° | 117.6° |
| N03 | C02 | C01 | 102.0° | 104.6° |
| N03 | C02 | H10 | 111.4° | 110.4° |
| N03 | C02 | H11 | 111.3° | 110.5° |
| C02 | N03 | H25 | 110.4° | 111.0° |
| C07 | N08 | N09 | 105.6° | 109.8° |
| C05 | C01 | C02 | 104.7° | 105.0° |
| C05 | C01 | H9 | 109.9° | 121.8° |
| C01 | C05 | H14 | 114.2° | 121.8° |
| N08 | N09 | C10 | 125.1° | 126.0° |
| N09 | C10 | C12 | 131.6° | 117.5° |
| N09 | C10 | C11 | 122.4° | 117.5° |
| N09 | C10 | H1 | 111.5° | 115.6° |
| C02 | C01 | H9 | 112.5° | 117.6° |
| C01 | C02 | H10 | 111.3° | 110.4° |
| C01 | C02 | H11 | 111.3° | 110.4° |
| C12 | C10 | C11 | 60.4° | 60.0° |
| C10 | C12 | C11 | 59.9° | 60.0° |
| C12 | C10 | H1 | 110.5° | 117.5° |
| C10 | C12 | H18 | 120.0° | 117.5° |
| C10 | C12 | H19 | 120.0° | 117.5° |
| C10 | C11 | C12 | 59.7° | 60.0° |
| C11 | C10 | H1 | 110.5° | 117.5° |
| C10 | C11 | H16 | 120.0° | 117.5° |
| C10 | C11 | H17 | 120.1° | 117.5° |
| C12 | C11 | H16 | 120.0° | 117.5° |
| C12 | C11 | H17 | 120.1° | 117.5° |
| C11 | C12 | H18 | 120.0° | 117.5° |
| C11 | C12 | H19 | 120.0° | 117.5° |
| H2 | C20 | H3 | 109.5° | 109.5° |
| H2 | C20 | H4 | 109.4° | 109.5° |
| H3 | C20 | H4 | 109.5° | 109.5° |
| H5 | C21 | H6 | 109.5° | 109.5° |
| H5 | C21 | H7 | 109.5° | 109.5° |
| H6 | C21 | H7 | 109.5° | 109.5° |
| H10 | C02 | H11 | 109.4° | 110.4° |
| H12 | C04 | H13 | 109.5° | 110.5° |
| H16 | C11 | H17 | 109.5° | 115.5° |
| H18 | C12 | H19 | 109.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O35 | C34 | C33 | C36 | 178.9° | 179.6° |
| O35 | C34 | C33 | C25 | 179.7° | 180.0° |
| O35 | C34 | C36 | C23 | 178.5° | 180.0° |
| O35 | C34 | C33 | H23 | 0.3° | 0.1° |
| O35 | C34 | C36 | H24 | 1.6° | 0.4° |
| C34 | C33 | C25 | H23 | 180.0° | 179.9° |
| C33 | C34 | C36 | C23 | 0.5° | 0.4° |
| C34 | C33 | C25 | C26 | 179.9° | 180.0° |
| C34 | C33 | C25 | C24 | 2.4° | 0.1° |
| C33 | C34 | C36 | H24 | 179.5° | 180.0° |
| C33 | C34 | O35 | H27 | 180.0° | 90.0° |
| C36 | C34 | C33 | C25 | 1.4° | 0.4° |
| C34 | C36 | C23 | H24 | 180.0° | 179.6° |
| C34 | C36 | C23 | C24 | 1.4° | 0.1° |
| C34 | C36 | C23 | C16 | 175.0° | 180.0° |
| C36 | C34 | C33 | H23 | 178.6° | 179.7° |
| C36 | C34 | O35 | H27 | 1.0° | 90.4° |
| C33 | C25 | C26 | C24 | 177.7° | 179.9° |
| C33 | C25 | C26 | C27 | 177.9° | 179.9° |
| C33 | C25 | C24 | C23 | 1.6° | 0.2° |
| C33 | C25 | C24 | C30 | 177.9° | 179.9° |
| C33 | C25 | C26 | H8 | 2.1° | 0.1° |
| C21 | C19 | C18 | N17 | 31.5° | 30.3° |
| C21 | C19 | C20 | C18 | 114.8° | 120.0° |
| C21 | C19 | C20 | H20 | 123.6° | 120.0° |
| C21 | C19 | C18 | H20 | 122.6° | 120.0° |
| C21 | C19 | C18 | C22 | 150.6° | 149.6° |
| C21 | C19 | C20 | H2 | 180.0° | 177.0° |
| C21 | C19 | C20 | H3 | 60.0° | 63.0° |
| C21 | C19 | C20 | H4 | 60.0° | 57.0° |
| C19 | C21 | H5 | H6 | 120.0° | 120.0° |
| C19 | C21 | H5 | H7 | 120.0° | 120.0° |
| C19 | C21 | H6 | H7 | 120.0° | 120.0° |
| C36 | C23 | C24 | C25 | 0.4° | 0.2° |
| C36 | C23 | C24 | C16 | 173.0° | 179.9° |
| C36 | C23 | C16 | N17 | 74.0° | 90.9° |
| C36 | C23 | C24 | C30 | 179.9° | 179.9° |
| C36 | C23 | C16 | C14 | 100.4° | 89.2° |
| C25 | C26 | C27 | H8 | 180.0° | 179.9° |
| C26 | C25 | C24 | C23 | 179.2° | 179.7° |
| C26 | C25 | C24 | C30 | 0.3° | 0.0° |
| C25 | C26 | C27 | C28 | 0.2° | 0.2° |
| C25 | C26 | C27 | H21 | 179.8° | 179.8° |
| C26 | C25 | C33 | H23 | 0.1° | 0.1° |
| C24 | C25 | C26 | C27 | 0.2° | 0.1° |
| C25 | C24 | C23 | C30 | 179.5° | 179.7° |
| C25 | C24 | C23 | C16 | 173.4° | 179.7° |
| C25 | C24 | C30 | C28 | 0.1° | 0.3° |
| C25 | C24 | C30 | C31 | 179.0° | 179.8° |
| C24 | C25 | C26 | H8 | 179.8° | 179.8° |
| C24 | C25 | C33 | H23 | 177.6° | 180.0° |
| C26 | C27 | C28 | H21 | 180.0° | 180.0° |
| C26 | C27 | C28 | C30 | 0.6° | 0.6° |
| C26 | C27 | C28 | F29 | 179.6° | 179.9° |
| C24 | C23 | C16 | N17 | 112.6° | 89.2° |
| C24 | C23 | C16 | C14 | 73.1° | 90.8° |
| C23 | C24 | C30 | C28 | 179.6° | 180.0° |
| C23 | C24 | C30 | C31 | 0.5° | 0.1° |
| C24 | C23 | C36 | H24 | 178.6° | 179.7° |
| C23 | C16 | N17 | C14 | 173.7° | 179.9° |
| C23 | C16 | N17 | C18 | 176.7° | 179.6° |
| C16 | C23 | C24 | C30 | 7.1° | 0.0° |
| C23 | C16 | C14 | F15 | 6.4° | 0.1° |
| C23 | C16 | C14 | C13 | 178.5° | 180.0° |
| C16 | C23 | C36 | H24 | 5.0° | 0.3° |
| C16 | N17 | C18 | C19 | 177.1° | 179.6° |
| C16 | N17 | C18 | C22 | 0.9° | 0.5° |
| N17 | C16 | C14 | F15 | 179.2° | 180.0° |
| N17 | C16 | C14 | C13 | 4.1° | 0.1° |
| N17 | C18 | C19 | C20 | 84.6° | 89.7° |
| N17 | C18 | C19 | C22 | 177.9° | 179.9° |
| C18 | N17 | C16 | C14 | 3.0° | 0.5° |
| N17 | C18 | C22 | C13 | 0.1° | 0.2° |
| N17 | C18 | C22 | C07 | 179.3° | 179.8° |
| N17 | C18 | C19 | H20 | 154.1° | 150.3° |
| C24 | C30 | C28 | C27 | 0.5° | 0.6° |
| C24 | C30 | C28 | C31 | 179.1° | 180.0° |
| C24 | C30 | C28 | F29 | 179.7° | 179.9° |
| C24 | C30 | C31 | C32 | 36.8° | 21.3° |
| C20 | C19 | C18 | H20 | 121.3° | 120.0° |
| C20 | C19 | C18 | C22 | 93.3° | 90.4° |
| C19 | C20 | H2 | H3 | 120.0° | 120.0° |
| C19 | C20 | H2 | H4 | 120.0° | 120.0° |
| C19 | C20 | H3 | H4 | 120.0° | 120.0° |
| C20 | C19 | C21 | H5 | 180.0° | 54.5° |
| C20 | C19 | C21 | H6 | 60.0° | 174.5° |
| C20 | C19 | C21 | H7 | 60.0° | 65.5° |
| C19 | C18 | C22 | C13 | 177.9° | 180.0° |
| C19 | C18 | C22 | C07 | 3.0° | 0.0° |
| C18 | C19 | C20 | H2 | 65.2° | 63.1° |
| C18 | C19 | C20 | H3 | 54.8° | 56.9° |
| C18 | C19 | C20 | H4 | 174.8° | 176.9° |
| C18 | C19 | C21 | H5 | 66.3° | 65.5° |
| C18 | C19 | C21 | H6 | 173.7° | 54.5° |
| C18 | C19 | C21 | H7 | 53.8° | 174.5° |
| C27 | C28 | C30 | F29 | 179.8° | 179.5° |
| C27 | C28 | C30 | C31 | 178.6° | 179.4° |
| C28 | C27 | C26 | H8 | 179.8° | 179.9° |
| C16 | C14 | F15 | C13 | 175.2° | 179.9° |
| C16 | C14 | C13 | C22 | 2.8° | 0.2° |
| C16 | C14 | C13 | N09 | 178.9° | 180.0° |
| C28 | C30 | C31 | C32 | 144.1° | 158.7° |
| C30 | C28 | C27 | H21 | 179.4° | 179.4° |
| C31 | C30 | C28 | F29 | 1.2° | 0.0° |
| C30 | C31 | C32 | H22 | 66.5° | 157.3° |
| C18 | C22 | C13 | C14 | 0.9° | 0.2° |
| C18 | C22 | C13 | C07 | 179.4° | 180.0° |
| C18 | C22 | C13 | N09 | 179.6° | 180.0° |
| C18 | C22 | C07 | C06 | 4.2° | 0.0° |
| C18 | C22 | C07 | N08 | 179.9° | 180.0° |
| C22 | C18 | C19 | H20 | 28.1° | 29.6° |
| F29 | C28 | C27 | H21 | 0.4° | 0.1° |
| F15 | C14 | C13 | C22 | 178.4° | 179.7° |
| F15 | C14 | C13 | N09 | 3.3° | 0.0° |
| C14 | C13 | C22 | N09 | 178.7° | 179.8° |
| C14 | C13 | C22 | C07 | 178.4° | 179.8° |
| C14 | C13 | N09 | N08 | 178.8° | 179.7° |
| C14 | C13 | N09 | C10 | 1.0° | 0.3° |
| C13 | C22 | C07 | C06 | 176.5° | 180.0° |
| C13 | C22 | C07 | N08 | 0.9° | 0.0° |
| C22 | C13 | N09 | N08 | 0.4° | 0.0° |
| C22 | C13 | N09 | C10 | 179.4° | 180.0° |
| C07 | C22 | C13 | N09 | 0.2° | 0.0° |
| C22 | C07 | C06 | N08 | 175.1° | 180.0° |
| C22 | C07 | C06 | C05 | 103.9° | 109.8° |
| C22 | C07 | C06 | C01 | 179.3° | 178.3° |
| C22 | C07 | N08 | N09 | 1.1° | 0.0° |
| C22 | C07 | C06 | H15 | 43.8° | 35.5° |
| C13 | N09 | N08 | C07 | 0.9° | 0.0° |
| C13 | N09 | N08 | C10 | 179.8° | 180.0° |
| C13 | N09 | C10 | C12 | 65.2° | 120.0° |
| C13 | N09 | C10 | C11 | 142.6° | 171.4° |
| C13 | N09 | C10 | H1 | 83.4° | 25.7° |
| C07 | C06 | C05 | C01 | 108.2° | 108.1° |
| C07 | C06 | C05 | H15 | 147.8° | 144.7° |
| C07 | C06 | C01 | H15 | 137.0° | 145.6° |
| C07 | C06 | C05 | C04 | 165.3° | 160.7° |
| C06 | C07 | N08 | N09 | 176.6° | 180.0° |
| C07 | C06 | C01 | C02 | 163.0° | 160.4° |
| C07 | C06 | C01 | H9 | 17.1° | 5.3° |
| C07 | C06 | C05 | H14 | 3.5° | 2.8° |
| C05 | C06 | C01 | H15 | 104.0° | 107.4° |
| C06 | C05 | C04 | N03 | 43.2° | 86.3° |
| C06 | C05 | C04 | C01 | 64.1° | 62.4° |
| C06 | C05 | C04 | H14 | 168.9° | 158.5° |
| C05 | C06 | C07 | N08 | 71.2° | 70.2° |
| C06 | C05 | C01 | H14 | 105.4° | 108.8° |
| C05 | C06 | C01 | C02 | 78.1° | 92.5° |
| C05 | C06 | C01 | H9 | 101.8° | 112.4° |
| C06 | C05 | C04 | H12 | 75.4° | 155.0° |
| C06 | C05 | C04 | H13 | 161.7° | 32.5° |
| C06 | C01 | C02 | N03 | 30.6° | 89.2° |
| C01 | C06 | C07 | N08 | 4.2° | 1.7° |
| C06 | C01 | C02 | H9 | 179.9° | 155.6° |
| C06 | C01 | C02 | H10 | 149.4° | 29.6° |
| C06 | C01 | C02 | H11 | 88.3° | 151.9° |
| N03 | C04 | C05 | H12 | 118.6° | 118.7° |
| N03 | C04 | C05 | H13 | 118.5° | 118.8° |
| C04 | N03 | C02 | H25 | 119.4° | 119.5° |
| N03 | C04 | C05 | C01 | 20.9° | 23.9° |
| C04 | N03 | C02 | C01 | 47.5° | 39.5° |
| C04 | N03 | C02 | H10 | 71.3° | 79.3° |
| C04 | N03 | C02 | H11 | 166.3° | 158.3° |
| N03 | C04 | H12 | H13 | 124.1° | 122.4° |
| N03 | C04 | C05 | H14 | 147.9° | 115.3° |
| C05 | C04 | N03 | C02 | 38.8° | 39.5° |
| C04 | C05 | C01 | H14 | 126.7° | 137.0° |
| C04 | C05 | C01 | C02 | 8.8° | 0.0° |
| C04 | C05 | C01 | H9 | 129.9° | 136.9° |
| C05 | C04 | H12 | H13 | 124.2° | 122.5° |
| C04 | C05 | C06 | H15 | 17.6° | 15.9° |
| C05 | C04 | N03 | H25 | 158.3° | 80.0° |
| N03 | C02 | C01 | C05 | 30.0° | 23.9° |
| N03 | C02 | C01 | H10 | 118.8° | 118.8° |
| N03 | C02 | C01 | H11 | 118.8° | 118.9° |
| N03 | C02 | C01 | H9 | 149.3° | 115.2° |
| N03 | C02 | H10 | H11 | 123.5° | 122.5° |
| C02 | N03 | C04 | H12 | 157.4° | 158.2° |
| C02 | N03 | C04 | H13 | 79.7° | 79.3° |
| C07 | N08 | N09 | C10 | 178.9° | 180.0° |
| N08 | C07 | C06 | H15 | 141.1° | 144.5° |
| C05 | C01 | C02 | H9 | 119.3° | 139.1° |
| C05 | C01 | C02 | H10 | 88.8° | 94.9° |
| C05 | C01 | C02 | H11 | 148.8° | 142.8° |
| C01 | C05 | C04 | H12 | 139.5° | 142.6° |
| C01 | C05 | C04 | H13 | 97.6° | 94.9° |
| N08 | N09 | C10 | C12 | 115.0° | 60.0° |
| N08 | N09 | C10 | C11 | 37.7° | 8.6° |
| N08 | N09 | C10 | H1 | 96.4° | 154.3° |
| N09 | C10 | C12 | C11 | 108.6° | 107.5° |
| N09 | C10 | C12 | H1 | 148.8° | 145.0° |
| N09 | C10 | C11 | H1 | 134.4° | 145.1° |
| N09 | C10 | C11 | H16 | 13.6° | 0.0° |
| N09 | C10 | C11 | H17 | 127.6° | 145.0° |
| N09 | C10 | C12 | H18 | 142.0° | 145.0° |
| N09 | C10 | C12 | H19 | 0.8° | 0.0° |
| C01 | C02 | H10 | H11 | 123.5° | 122.3° |
| C02 | C01 | C05 | H14 | 117.9° | 137.0° |
| C02 | C01 | C06 | H15 | 26.0° | 14.9° |
| C01 | C02 | N03 | H25 | 166.9° | 80.0° |
| C12 | C10 | C11 | H1 | 102.6° | 107.5° |
| C10 | C12 | C11 | H18 | 109.5° | 107.5° |
| C10 | C12 | C11 | H19 | 109.4° | 107.5° |
| C12 | C10 | C11 | H16 | 109.4° | 107.5° |
| C12 | C10 | C11 | H17 | 109.4° | 107.5° |
| C10 | C12 | H18 | H19 | 144.8° | 145.7° |
| C10 | C11 | H16 | H17 | 144.9° | 145.6° |
| C12 | C11 | H16 | H17 | 144.9° | 145.7° |
| C11 | C12 | H18 | H19 | 144.8° | 145.7° |
| H1 | C10 | C11 | H16 | 148.0° | 145.0° |
| H1 | C10 | C11 | H17 | 6.8° | 0.1° |
| H1 | C10 | C12 | H18 | 6.9° | 0.0° |
| H1 | C10 | C12 | H19 | 148.0° | 145.0° |
| H2 | C20 | H3 | H4 | 120.0° | 120.0° |
| H2 | C20 | C19 | H20 | 56.4° | 57.0° |
| H3 | C20 | C19 | H20 | 176.4° | 177.0° |
| H4 | C20 | C19 | H20 | 63.6° | 63.1° |
| H5 | C21 | H6 | H7 | 120.0° | 120.0° |
| H5 | C21 | C19 | H20 | 56.5° | 174.5° |
| H6 | C21 | C19 | H20 | 63.5° | 65.5° |
| H7 | C21 | C19 | H20 | 176.5° | 54.5° |
| H8 | C26 | C27 | H21 | 0.2° | 0.1° |
| H9 | C01 | C02 | H10 | 30.5° | 126.0° |
| H9 | C01 | C02 | H11 | 91.9° | 3.7° |
| H9 | C01 | C05 | H14 | 3.2° | 0.1° |
| H9 | C01 | C06 | H15 | 154.2° | 140.2° |
| H10 | C02 | N03 | H25 | 48.1° | 161.2° |
| H11 | C02 | N03 | H25 | 74.3° | 38.8° |
| H12 | C04 | C05 | H14 | 93.6° | 3.4° |
| H12 | C04 | N03 | H25 | 83.2° | 38.7° |
| H13 | C04 | C05 | H14 | 29.4° | 125.9° |
| H13 | C04 | N03 | H25 | 39.8° | 161.2° |
| H14 | C05 | C06 | H15 | 151.3° | 141.9° |
| H16 | C11 | C12 | H18 | 141.2° | 145.1° |
| H16 | C11 | C12 | H19 | 0.1° | 0.0° |
| H17 | C11 | C12 | H18 | 0.1° | 0.0° |
| H17 | C11 | C12 | H19 | 141.2° | 145.1° |
