EZ9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.53Å | 1.55Å | |
| C02 | N03 | sing | 1.46Å | 1.45Å | |
| N03 | C04 | sing | 1.40Å | 1.37Å | |
| N10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| N10 | C09 | sing | 1.39Å | 1.41Å | Aromatic |
| N16 | C11 | doub | 1.33Å | 1.38Å | Aromatic |
| N16 | C15 | sing | 1.32Å | 1.33Å | Aromatic |
| C11 | C12 | sing | 1.40Å | 1.43Å | Aromatic |
| C15 | C14 | doub | 1.39Å | 1.44Å | Aromatic |
| C04 | C09 | doub | 1.40Å | 1.40Å | Aromatic |
| C04 | C05 | sing | 1.38Å | 1.40Å | Aromatic |
| C09 | C08 | sing | 1.40Å | 1.43Å | Aromatic |
| C05 | C06 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | C08 | sing | 1.47Å | 1.43Å | Aromatic |
| C12 | C13 | doub | 1.40Å | 1.42Å | Aromatic |
| C22 | N21 | doub | 1.32Å | 1.34Å | Aromatic |
| C22 | C17 | sing | 1.40Å | 1.40Å | Aromatic |
| C08 | C07 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.40Å | 1.39Å | Aromatic |
| C14 | C17 | sing | 1.48Å | 1.46Å | |
| N21 | C20 | sing | 1.32Å | 1.34Å | Aromatic |
| C13 | N31 | sing | 1.40Å | 1.43Å | |
| C17 | C18 | doub | 1.40Å | 1.42Å | Aromatic |
| C06 | C07 | sing | 1.38Å | 1.39Å | Aromatic |
| C06 | F40 | sing | 1.35Å | 1.35Å | |
| N31 | N35 | sing | 1.40Å | 1.35Å | Aromatic |
| N31 | C32 | sing | 1.36Å | 1.40Å | Aromatic |
| C20 | O23 | sing | 1.35Å | 1.34Å | |
| C20 | N19 | doub | 1.32Å | 1.39Å | Aromatic |
| N35 | C34 | doub | 1.31Å | 1.35Å | Aromatic |
| C18 | N19 | sing | 1.32Å | 1.36Å | Aromatic |
| O23 | C24 | sing | 1.43Å | 1.42Å | |
| C26 | C25 | sing | 1.53Å | 1.54Å | |
| O30 | C28 | doub | 1.21Å | 1.25Å | |
| C32 | C33 | doub | 1.35Å | 1.41Å | Aromatic |
| C34 | C36 | sing | 1.51Å | 1.49Å | |
| C34 | C33 | sing | 1.40Å | 1.42Å | Aromatic |
| F37 | C36 | sing | 1.40Å | 1.35Å | |
| C28 | C25 | sing | 1.51Å | 1.58Å | |
| C28 | O29 | sing | 1.34Å | 1.25Å | |
| F39 | C36 | sing | 1.40Å | 1.36Å | |
| C25 | C24 | sing | 1.53Å | 1.56Å | |
| C25 | C27 | sing | 1.53Å | 1.50Å | |
| C36 | F38 | sing | 1.40Å | 1.37Å | |
| 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 | |
| N03 | H6 | sing | 0.97Å | 1.00Å | |
| C05 | H7 | sing | 1.08Å | 1.08Å | |
| C07 | H8 | sing | 1.08Å | 1.08Å | |
| N10 | H9 | sing | 0.97Å | 1.00Å | |
| C15 | H10 | sing | 1.08Å | 1.08Å | |
| C18 | H11 | sing | 1.08Å | 1.08Å | |
| C22 | H12 | sing | 1.08Å | 1.08Å | |
| C24 | H13 | sing | 1.09Å | 1.10Å | |
| C24 | H14 | sing | 1.09Å | 1.10Å | |
| C26 | H15 | sing | 1.09Å | 1.10Å | |
| C26 | H16 | sing | 1.09Å | 1.10Å | |
| C26 | H17 | sing | 1.09Å | 1.10Å | |
| C27 | H18 | sing | 1.09Å | 1.10Å | |
| C27 | H19 | sing | 1.09Å | 1.10Å | |
| C27 | H20 | sing | 1.09Å | 1.10Å | |
| O29 | H21 | sing | 0.97Å | 0.95Å | |
| C32 | H22 | sing | 1.08Å | 1.08Å | |
| C33 | H23 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | N03 | 109.8° | 109.5° |
| C02 | C01 | H1 | 109.5° | 109.4° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C01 | C02 | H4 | 109.4° | 109.5° |
| C01 | C02 | H5 | 109.4° | 109.4° |
| C02 | N03 | C04 | 124.5° | 120.0° |
| N03 | C02 | H4 | 109.4° | 109.5° |
| N03 | C02 | H5 | 109.4° | 109.5° |
| C02 | N03 | H6 | 105.6° | 120.0° |
| N03 | C04 | C09 | 121.7° | 120.0° |
| N03 | C04 | C05 | 119.6° | 120.0° |
| C04 | N03 | H6 | 105.6° | 120.0° |
| C11 | N10 | C09 | 106.8° | 110.3° |
| N10 | C11 | N16 | 125.3° | 131.8° |
| N10 | C11 | C12 | 111.4° | 108.2° |
| C11 | N10 | H9 | 126.6° | 124.9° |
| N10 | C09 | C04 | 129.6° | 132.3° |
| N10 | C09 | C08 | 108.6° | 108.3° |
| C09 | N10 | H9 | 126.6° | 124.8° |
| C11 | N16 | C15 | 115.7° | 122.2° |
| N16 | C11 | C12 | 123.3° | 119.9° |
| N16 | C15 | C14 | 127.3° | 121.4° |
| N16 | C15 | H10 | 116.3° | 119.3° |
| C11 | C12 | C08 | 104.6° | 106.7° |
| C11 | C12 | C13 | 117.3° | 119.6° |
| C15 | C14 | C13 | 115.0° | 118.9° |
| C15 | C14 | C17 | 119.7° | 120.5° |
| C14 | C15 | H10 | 116.3° | 119.3° |
| C09 | C04 | C05 | 118.7° | 119.9° |
| C04 | C09 | C08 | 121.8° | 119.3° |
| C04 | C05 | C06 | 118.6° | 120.5° |
| C04 | C05 | H7 | 120.7° | 119.7° |
| C09 | C08 | C12 | 108.6° | 106.4° |
| C09 | C08 | C07 | 119.2° | 120.1° |
| C05 | C06 | C07 | 123.9° | 120.2° |
| C05 | C06 | F40 | 117.7° | 119.8° |
| C06 | C05 | H7 | 120.7° | 119.8° |
| C08 | C12 | C13 | 138.0° | 133.7° |
| C12 | C08 | C07 | 132.3° | 133.5° |
| C12 | C13 | C14 | 121.4° | 118.0° |
| C12 | C13 | N31 | 122.2° | 121.0° |
| N21 | C22 | C17 | 126.3° | 119.0° |
| C22 | N21 | C20 | 119.7° | 120.9° |
| N21 | C22 | H12 | 116.8° | 120.5° |
| C22 | C17 | C14 | 124.1° | 120.9° |
| C22 | C17 | C18 | 109.9° | 118.3° |
| C17 | C22 | H12 | 116.8° | 120.5° |
| C08 | C07 | C06 | 117.9° | 119.9° |
| C08 | C07 | H8 | 121.1° | 120.1° |
| C13 | C14 | C17 | 125.4° | 120.5° |
| C14 | C13 | N31 | 116.4° | 121.0° |
| C14 | C17 | C18 | 125.9° | 120.9° |
| N21 | C20 | O23 | 120.5° | 119.0° |
| N21 | C20 | N19 | 120.9° | 121.9° |
| C13 | N31 | N35 | 124.4° | 126.1° |
| C13 | N31 | C32 | 123.7° | 126.1° |
| C17 | C18 | N19 | 126.8° | 119.0° |
| C17 | C18 | H11 | 116.6° | 120.5° |
| C07 | C06 | F40 | 118.4° | 119.9° |
| C06 | C07 | H8 | 121.0° | 120.0° |
| N35 | N31 | C32 | 111.7° | 107.8° |
| N31 | N35 | C34 | 106.0° | 108.2° |
| N31 | C32 | C33 | 106.1° | 107.6° |
| N31 | C32 | H22 | 126.9° | 126.2° |
| O23 | C20 | N19 | 118.5° | 119.1° |
| C20 | O23 | C24 | 124.2° | 117.0° |
| C20 | N19 | C18 | 116.3° | 120.9° |
| N35 | C34 | C36 | 125.3° | 125.8° |
| N35 | C34 | C33 | 111.9° | 108.4° |
| N19 | C18 | H11 | 116.6° | 120.5° |
| O23 | C24 | C25 | 111.0° | 109.5° |
| O23 | C24 | H13 | 109.1° | 109.5° |
| O23 | C24 | H14 | 109.1° | 109.5° |
| C26 | C25 | C28 | 109.6° | 109.5° |
| C26 | C25 | C24 | 109.7° | 109.5° |
| C26 | C25 | C27 | 104.5° | 109.5° |
| C25 | C26 | H15 | 109.5° | 109.5° |
| C25 | C26 | H16 | 109.5° | 109.4° |
| C25 | C26 | H17 | 109.5° | 109.5° |
| O30 | C28 | C25 | 120.1° | 120.0° |
| O30 | C28 | O29 | 125.8° | 120.0° |
| C32 | C33 | C34 | 104.3° | 108.0° |
| C33 | C32 | H22 | 127.0° | 126.3° |
| C32 | C33 | H23 | 127.8° | 126.0° |
| C36 | C34 | C33 | 122.8° | 125.8° |
| C34 | C36 | F37 | 112.9° | 109.5° |
| C34 | C36 | F39 | 114.8° | 109.5° |
| C34 | C36 | F38 | 116.4° | 109.4° |
| C34 | C33 | H23 | 127.9° | 126.1° |
| F37 | C36 | F39 | 104.8° | 109.5° |
| F37 | C36 | F38 | 103.6° | 109.4° |
| C25 | C28 | O29 | 114.1° | 120.0° |
| C28 | C25 | C24 | 109.7° | 109.5° |
| C28 | C25 | C27 | 112.3° | 109.4° |
| C28 | O29 | H21 | 109.5° | 117.0° |
| F39 | C36 | F38 | 103.0° | 109.5° |
| C24 | C25 | C27 | 110.9° | 109.5° |
| C25 | C24 | H13 | 109.1° | 109.5° |
| C25 | C24 | H14 | 109.1° | 109.5° |
| C25 | C27 | H18 | 109.5° | 109.5° |
| C25 | C27 | H19 | 109.5° | 109.4° |
| C25 | C27 | H20 | 109.5° | 109.5° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.4° | 109.5° |
| H2 | C01 | H3 | 109.4° | 109.5° |
| H4 | C02 | H5 | 109.4° | 109.5° |
| H13 | C24 | H14 | 109.5° | 109.5° |
| H15 | C26 | H16 | 109.5° | 109.5° |
| H15 | C26 | H17 | 109.5° | 109.5° |
| H16 | C26 | H17 | 109.5° | 109.4° |
| H18 | C27 | H19 | 109.5° | 109.4° |
| H18 | C27 | H20 | 109.4° | 109.5° |
| H19 | C27 | H20 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | N03 | H4 | 120.1° | 120.0° |
| C01 | C02 | N03 | H5 | 120.1° | 120.0° |
| C01 | C02 | N03 | C04 | 170.8° | 180.0° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | C02 | H4 | H5 | 119.8° | 120.0° |
| C01 | C02 | N03 | H6 | 48.8° | 0.1° |
| C02 | N03 | C04 | H6 | 122.0° | 179.9° |
| C02 | N03 | C04 | C09 | 172.0° | 180.0° |
| C02 | N03 | C04 | C05 | 9.4° | 0.3° |
| N03 | C02 | C01 | H1 | 180.0° | 60.0° |
| N03 | C02 | C01 | H2 | 60.0° | 60.0° |
| N03 | C02 | C01 | H3 | 60.0° | 179.9° |
| N03 | C02 | H4 | H5 | 119.9° | 120.0° |
| N03 | C04 | C09 | N10 | 1.8° | 0.0° |
| N03 | C04 | C09 | C05 | 178.6° | 179.7° |
| N03 | C04 | C09 | C08 | 179.5° | 179.7° |
| N03 | C04 | C05 | C06 | 179.6° | 180.0° |
| C04 | N03 | C02 | H4 | 69.1° | 59.9° |
| C04 | N03 | C02 | H5 | 50.8° | 60.1° |
| N03 | C04 | C05 | H7 | 0.5° | 0.0° |
| C11 | N10 | C09 | H9 | 180.0° | 179.4° |
| N10 | C11 | N16 | C12 | 179.2° | 179.4° |
| N10 | C11 | N16 | C15 | 178.5° | 179.6° |
| C11 | N10 | C09 | C04 | 179.6° | 180.0° |
| C11 | N10 | C09 | C08 | 0.8° | 0.2° |
| N10 | C11 | C12 | C08 | 0.4° | 0.7° |
| N10 | C11 | C12 | C13 | 179.7° | 180.0° |
| C09 | N10 | C11 | N16 | 180.0° | 180.0° |
| C09 | N10 | C11 | C12 | 0.7° | 0.6° |
| N10 | C09 | C04 | C08 | 178.6° | 179.7° |
| N10 | C09 | C04 | C05 | 179.6° | 179.7° |
| N10 | C09 | C08 | C12 | 0.6° | 0.2° |
| N10 | C09 | C08 | C07 | 179.8° | 179.6° |
| C11 | N16 | C15 | C14 | 2.0° | 1.1° |
| N16 | C11 | C12 | C08 | 179.6° | 179.8° |
| N16 | C11 | C12 | C13 | 0.4° | 0.5° |
| N16 | C11 | N10 | H9 | 0.0° | 0.5° |
| C11 | N16 | C15 | H10 | 178.0° | 179.5° |
| C15 | N16 | C11 | C12 | 0.7° | 1.0° |
| N16 | C15 | C14 | H10 | 180.0° | 179.4° |
| N16 | C15 | C14 | C13 | 2.0° | 0.5° |
| N16 | C15 | C14 | C17 | 178.0° | 179.4° |
| C11 | C12 | C08 | C09 | 0.1° | 0.5° |
| C11 | C12 | C08 | C13 | 179.9° | 179.2° |
| C11 | C12 | C08 | C07 | 179.7° | 179.3° |
| C11 | C12 | C13 | C14 | 0.4° | 0.0° |
| C11 | C12 | C13 | N31 | 179.7° | 180.0° |
| C12 | C11 | N10 | H9 | 179.3° | 180.0° |
| C15 | C14 | C13 | C12 | 0.7° | 0.0° |
| C15 | C14 | C17 | C22 | 53.7° | 123.8° |
| C15 | C14 | C13 | C17 | 180.0° | 180.0° |
| C15 | C14 | C13 | N31 | 179.2° | 180.0° |
| C15 | C14 | C17 | C18 | 124.3° | 55.9° |
| C09 | C04 | C05 | C06 | 0.9° | 0.3° |
| C04 | C09 | C08 | C12 | 179.5° | 179.6° |
| C04 | C09 | C08 | C07 | 0.9° | 0.6° |
| C09 | C04 | N03 | H6 | 50.0° | 0.1° |
| C09 | C04 | C05 | H7 | 179.1° | 179.7° |
| C04 | C09 | N10 | H9 | 0.4° | 0.6° |
| C05 | C04 | C09 | C08 | 0.9° | 0.6° |
| C04 | C05 | C06 | H7 | 180.0° | 179.9° |
| C04 | C05 | C06 | C07 | 0.9° | 0.0° |
| C04 | C05 | C06 | F40 | 179.8° | 180.0° |
| C05 | C04 | N03 | H6 | 131.4° | 179.8° |
| C09 | C08 | C12 | C07 | 179.6° | 179.8° |
| C09 | C08 | C12 | C13 | 179.8° | 179.7° |
| C09 | C08 | C07 | C06 | 0.8° | 0.2° |
| C09 | C08 | C07 | H8 | 179.2° | 179.8° |
| C08 | C09 | N10 | H9 | 179.2° | 179.7° |
| C05 | C06 | C07 | C08 | 0.8° | 0.1° |
| C05 | C06 | C07 | F40 | 179.3° | 180.0° |
| C05 | C06 | C07 | H8 | 179.1° | 179.9° |
| C08 | C12 | C13 | C14 | 179.7° | 179.1° |
| C08 | C12 | C13 | N31 | 0.2° | 0.9° |
| C12 | C08 | C07 | C06 | 179.7° | 180.0° |
| C12 | C08 | C07 | H8 | 0.4° | 0.0° |
| C13 | C12 | C08 | C07 | 0.2° | 0.1° |
| C12 | C13 | C14 | N31 | 179.9° | 180.0° |
| C12 | C13 | C14 | C17 | 179.3° | 180.0° |
| C12 | C13 | N31 | N35 | 128.0° | 51.4° |
| C12 | C13 | N31 | C32 | 58.0° | 128.9° |
| N21 | C22 | C17 | H12 | 180.0° | 179.5° |
| N21 | C22 | C17 | C14 | 178.7° | 179.7° |
| N21 | C22 | C17 | C18 | 0.4° | 0.5° |
| C22 | N21 | C20 | O23 | 178.4° | 179.7° |
| C22 | N21 | C20 | N19 | 0.9° | 0.4° |
| C22 | C17 | C14 | C13 | 126.2° | 56.2° |
| C22 | C17 | C14 | C18 | 178.0° | 179.7° |
| C17 | C22 | N21 | C20 | 0.4° | 0.6° |
| C22 | C17 | C18 | N19 | 0.8° | 0.3° |
| C22 | C17 | C18 | H11 | 179.2° | 179.8° |
| C08 | C07 | C06 | H8 | 180.0° | 180.0° |
| C08 | C07 | C06 | F40 | 179.9° | 180.0° |
| C13 | C14 | C17 | C18 | 55.7° | 124.1° |
| C14 | C13 | N31 | N35 | 51.9° | 128.6° |
| C14 | C13 | N31 | C32 | 122.1° | 51.1° |
| C13 | C14 | C15 | H10 | 178.0° | 180.0° |
| C17 | C14 | C13 | N31 | 0.8° | 0.0° |
| C14 | C17 | C18 | N19 | 179.1° | 180.0° |
| C17 | C14 | C15 | H10 | 2.0° | 0.0° |
| C14 | C17 | C18 | H11 | 0.9° | 0.0° |
| C14 | C17 | C22 | H12 | 1.3° | 0.3° |
| N21 | C20 | O23 | N19 | 179.3° | 179.9° |
| N21 | C20 | N19 | C18 | 0.5° | 0.1° |
| N21 | C20 | O23 | C24 | 172.1° | 0.0° |
| C20 | N21 | C22 | H12 | 179.6° | 180.0° |
| C13 | N31 | N35 | C32 | 174.6° | 179.7° |
| C13 | N31 | N35 | C34 | 176.5° | 179.9° |
| C13 | N31 | C32 | C33 | 176.9° | 179.9° |
| C13 | N31 | C32 | H22 | 3.1° | 0.0° |
| C17 | C18 | N19 | C20 | 0.4° | 0.1° |
| C17 | C18 | N19 | H11 | 180.0° | 180.0° |
| C18 | C17 | C22 | H12 | 179.6° | 180.0° |
| C07 | C06 | C05 | H7 | 179.1° | 180.0° |
| F40 | C06 | C05 | H7 | 0.2° | 0.1° |
| F40 | C06 | C07 | H8 | 0.2° | 0.0° |
| N35 | N31 | C32 | C33 | 2.3° | 0.2° |
| N31 | N35 | C34 | C36 | 177.9° | 179.8° |
| N31 | N35 | C34 | C33 | 0.8° | 0.3° |
| N35 | N31 | C32 | H22 | 177.7° | 179.8° |
| C32 | N31 | N35 | C34 | 1.9° | 0.3° |
| N31 | C32 | C33 | H22 | 180.0° | 180.0° |
| N31 | C32 | C33 | C34 | 1.6° | 0.0° |
| N31 | C32 | C33 | H23 | 178.4° | 180.0° |
| O23 | C20 | N19 | C18 | 178.8° | 180.0° |
| C20 | O23 | C24 | C25 | 137.3° | 180.0° |
| C20 | O23 | C24 | H13 | 17.1° | 60.0° |
| C20 | O23 | C24 | H14 | 102.5° | 60.0° |
| N19 | C20 | O23 | C24 | 8.6° | 179.9° |
| C20 | N19 | C18 | H11 | 179.6° | 180.0° |
| N35 | C34 | C33 | C32 | 0.6° | 0.2° |
| N35 | C34 | C36 | C33 | 178.6° | 179.8° |
| N35 | C34 | C36 | F37 | 67.5° | 150.3° |
| N35 | C34 | C36 | F39 | 52.5° | 30.2° |
| N35 | C34 | C36 | F38 | 172.9° | 89.8° |
| N35 | C34 | C33 | H23 | 179.5° | 179.8° |
| O23 | C24 | C25 | C26 | 29.3° | 60.0° |
| O23 | C24 | C25 | C28 | 91.1° | 179.9° |
| O23 | C24 | C25 | H13 | 120.2° | 120.0° |
| O23 | C24 | C25 | H14 | 120.3° | 120.0° |
| O23 | C24 | C25 | C27 | 144.3° | 60.0° |
| O23 | C24 | H13 | H14 | 119.3° | 120.0° |
| C26 | C25 | C28 | O30 | 27.1° | 120.0° |
| C26 | C25 | C28 | C24 | 120.5° | 120.0° |
| C26 | C25 | C28 | C27 | 115.7° | 120.0° |
| C26 | C25 | C28 | O29 | 151.7° | 59.9° |
| C26 | C25 | C24 | C27 | 115.0° | 120.0° |
| C26 | C25 | C24 | H13 | 149.5° | 180.0° |
| C26 | C25 | C24 | H14 | 91.0° | 60.0° |
| C25 | C26 | H15 | H16 | 120.0° | 120.0° |
| C25 | C26 | H15 | H17 | 120.0° | 120.0° |
| C25 | C26 | H16 | H17 | 120.0° | 120.0° |
| C26 | C25 | C27 | H18 | 180.0° | 180.0° |
| C26 | C25 | C27 | H19 | 60.0° | 60.0° |
| C26 | C25 | C27 | H20 | 60.0° | 59.9° |
| O30 | C28 | C25 | O29 | 178.7° | 179.9° |
| O30 | C28 | C25 | C24 | 147.5° | 0.1° |
| O30 | C28 | C25 | C27 | 88.6° | 120.0° |
| O30 | C28 | O29 | H21 | 0.0° | 0.1° |
| C32 | C33 | C34 | C36 | 179.4° | 180.0° |
| C32 | C33 | C34 | H23 | 180.0° | 180.0° |
| C34 | C36 | F37 | F39 | 125.6° | 120.0° |
| C34 | C36 | F37 | F38 | 126.8° | 120.0° |
| C34 | C36 | F39 | F38 | 127.6° | 120.0° |
| C36 | C34 | C33 | H23 | 0.7° | 0.0° |
| C33 | C34 | C36 | F37 | 111.1° | 29.9° |
| C33 | C34 | C36 | F39 | 128.9° | 150.0° |
| C33 | C34 | C36 | F38 | 8.5° | 90.0° |
| C34 | C33 | C32 | H22 | 178.4° | 180.0° |
| F37 | C36 | F39 | F38 | 108.1° | 120.0° |
| C28 | C25 | C24 | C27 | 124.7° | 119.9° |
| C28 | C25 | C24 | H13 | 29.1° | 60.0° |
| C28 | C25 | C24 | H14 | 148.6° | 60.0° |
| C28 | C25 | C26 | H15 | 180.0° | 180.0° |
| C28 | C25 | C26 | H16 | 60.0° | 59.9° |
| C28 | C25 | C26 | H17 | 60.0° | 60.0° |
| C28 | C25 | C27 | H18 | 61.3° | 59.9° |
| C28 | C25 | C27 | H19 | 178.7° | 60.0° |
| C28 | C25 | C27 | H20 | 58.7° | 179.9° |
| C25 | C28 | O29 | H21 | 178.6° | 180.0° |
| O29 | C28 | C25 | C24 | 31.2° | 179.9° |
| O29 | C28 | C25 | C27 | 92.6° | 60.1° |
| C25 | C24 | H13 | H14 | 119.3° | 120.0° |
| C24 | C25 | C26 | H15 | 59.5° | 60.0° |
| C24 | C25 | C26 | H16 | 60.5° | 180.0° |
| C24 | C25 | C26 | H17 | 179.5° | 60.0° |
| C24 | C25 | C27 | H18 | 61.9° | 60.0° |
| C24 | C25 | C27 | H19 | 58.2° | 180.0° |
| C24 | C25 | C27 | H20 | 178.2° | 60.1° |
| C27 | C25 | C24 | H13 | 95.5° | 60.0° |
| C27 | C25 | C24 | H14 | 24.0° | 180.0° |
| C27 | C25 | C26 | H15 | 59.5° | 60.0° |
| C27 | C25 | C26 | H16 | 179.5° | 60.0° |
| C27 | C25 | C26 | H17 | 60.5° | 180.0° |
| C25 | C27 | H18 | H19 | 120.1° | 120.0° |
| C25 | C27 | H18 | H20 | 120.0° | 120.1° |
| C25 | C27 | H19 | H20 | 120.0° | 120.0° |
| H1 | C01 | H2 | H3 | 119.9° | 120.0° |
| H1 | C01 | C02 | H4 | 59.9° | 60.0° |
| H1 | C01 | C02 | H5 | 59.9° | 180.0° |
| H2 | C01 | C02 | H4 | 60.1° | NaN° |
| H2 | C01 | C02 | H5 | 180.0° | 60.0° |
| H3 | C01 | C02 | H4 | 179.9° | 60.0° |
| H3 | C01 | C02 | H5 | 60.1° | 60.0° |
| H4 | C02 | N03 | H6 | 168.9° | 119.9° |
| H5 | C02 | N03 | H6 | 71.3° | 120.1° |
| H15 | C26 | H16 | H17 | 120.0° | 120.0° |
| H18 | C27 | H19 | H20 | 119.9° | 120.0° |
| H22 | C32 | C33 | H23 | 1.6° | 0.0° |
