M9G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C09 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C05 | doub | 1.36Å | 1.42Å | Aromatic |
| C13 | N14 | sing | 1.34Å | 1.32Å | Aromatic |
| C20 | O21 | doub | 1.21Å | 1.21Å | |
| C20 | N19 | sing | 1.35Å | 1.50Å | |
| C20 | C22 | sing | 1.48Å | 1.51Å | |
| C22 | C27 | sing | 1.42Å | 1.38Å | Aromatic |
| C22 | N23 | doub | 1.31Å | 1.31Å | Aromatic |
| C26 | C25 | sing | 1.51Å | 1.51Å | |
| C28 | C18 | sing | 1.53Å | 1.56Å | |
| C28 | C29 | sing | 1.51Å | 1.56Å | |
| C01 | C02 | sing | 1.53Å | 1.50Å | |
| C02 | C03 | sing | 1.51Å | 1.60Å | |
| C02 | N15 | sing | 1.46Å | 1.44Å | |
| C03 | N04 | sing | 1.35Å | 1.33Å | Aromatic |
| C03 | N14 | doub | 1.31Å | 1.35Å | Aromatic |
| C05 | C06 | sing | 1.48Å | 1.41Å | |
| C05 | N04 | sing | 1.38Å | 1.33Å | Aromatic |
| C06 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C06 | C07 | sing | 1.40Å | 1.40Å | Aromatic |
| C07 | C09 | doub | 1.38Å | 1.39Å | Aromatic |
| C07 | F08 | sing | 1.35Å | 1.37Å | |
| C11 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | N15 | sing | 1.35Å | 1.52Å | |
| C16 | O17 | doub | 1.21Å | 1.21Å | |
| C16 | C18 | sing | 1.51Å | 1.55Å | |
| C18 | N19 | sing | 1.47Å | 1.42Å | |
| C25 | C27 | doub | 1.35Å | 1.38Å | Aromatic |
| C25 | O24 | sing | 1.34Å | 1.34Å | Aromatic |
| C29 | N30 | sing | 1.35Å | 1.52Å | |
| C29 | O41 | doub | 1.21Å | 1.16Å | |
| C31 | C32 | sing | 1.51Å | 1.59Å | |
| C31 | N30 | sing | 1.47Å | 1.60Å | |
| C31 | C38 | sing | 1.54Å | 1.30Å | |
| C32 | C37 | doub | 1.38Å | 1.40Å | Aromatic |
| C32 | C33 | sing | 1.38Å | 1.40Å | Aromatic |
| C33 | C34 | doub | 1.38Å | 1.39Å | Aromatic |
| C34 | C35 | sing | 1.38Å | 1.39Å | Aromatic |
| C35 | C36 | doub | 1.38Å | 1.41Å | Aromatic |
| C36 | C37 | sing | 1.38Å | 1.39Å | Aromatic |
| C38 | C39 | sing | 1.55Å | 1.64Å | |
| C39 | C40 | sing | 1.55Å | 1.35Å | |
| C40 | N30 | sing | 1.47Å | 1.53Å | |
| N23 | O24 | sing | 1.21Å | 1.36Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C26 | H3 | sing | 1.09Å | 1.10Å | |
| C26 | H4 | sing | 1.09Å | 1.10Å | |
| C26 | H5 | sing | 1.09Å | 1.10Å | |
| C28 | H6 | sing | 1.09Å | 1.10Å | |
| C28 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C01 | H10 | sing | 1.09Å | 1.10Å | |
| C02 | H11 | sing | 1.09Å | 1.10Å | |
| C09 | H12 | sing | 1.08Å | 1.08Å | |
| C11 | H13 | sing | 1.08Å | 1.08Å | |
| C12 | H14 | sing | 1.08Å | 1.08Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C27 | H16 | sing | 1.08Å | 1.08Å | |
| C31 | H17 | sing | 1.09Å | 1.10Å | |
| C33 | H18 | sing | 1.08Å | 1.08Å | |
| C34 | H19 | sing | 1.08Å | 1.08Å | |
| C35 | H20 | sing | 1.08Å | 1.08Å | |
| C36 | H21 | sing | 1.08Å | 1.08Å | |
| C37 | H22 | sing | 1.08Å | 1.08Å | |
| C38 | H23 | sing | 1.09Å | 1.10Å | |
| C38 | H24 | sing | 1.09Å | 1.10Å | |
| C39 | H25 | sing | 1.09Å | 1.10Å | |
| C39 | H26 | sing | 1.09Å | 1.10Å | |
| C40 | H27 | sing | 1.09Å | 1.10Å | |
| C40 | H28 | sing | 1.09Å | 1.10Å | |
| N04 | H29 | sing | 0.97Å | 1.00Å | |
| N15 | H31 | sing | 0.97Å | 1.00Å | |
| N19 | H32 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | C09 | 120.3° | 120.3° |
| C10 | C11 | C12 | 119.2° | 120.2° |
| C11 | C10 | H1 | 119.9° | 119.9° |
| C10 | C11 | H13 | 120.4° | 120.0° |
| C10 | C09 | C07 | 120.3° | 120.1° |
| C09 | C10 | H1 | 119.8° | 119.8° |
| C10 | C09 | H12 | 119.8° | 120.0° |
| C05 | C13 | N14 | 106.9° | 107.9° |
| C13 | C05 | C06 | 128.7° | 126.8° |
| C13 | C05 | N04 | 106.6° | 106.5° |
| C05 | C13 | H2 | 126.6° | 126.0° |
| C13 | N14 | C03 | 108.6° | 109.6° |
| N14 | C13 | H2 | 126.5° | 126.1° |
| O21 | C20 | N19 | 120.5° | 120.0° |
| O21 | C20 | C22 | 121.0° | 120.0° |
| N19 | C20 | C22 | 118.6° | 120.0° |
| C20 | N19 | C18 | 120.5° | 120.0° |
| C20 | N19 | H32 | 119.7° | 120.0° |
| C20 | C22 | C27 | 126.1° | 127.0° |
| C20 | C22 | N23 | 125.6° | 127.0° |
| C27 | C22 | N23 | 108.2° | 106.1° |
| C22 | C27 | C25 | 106.8° | 103.9° |
| C22 | C27 | H16 | 126.6° | 128.0° |
| C22 | N23 | O24 | 109.2° | 111.5° |
| C26 | C25 | C27 | 125.8° | 126.6° |
| C26 | C25 | O24 | 126.9° | 126.7° |
| C25 | C26 | H3 | 109.5° | 109.4° |
| C25 | C26 | H4 | 109.5° | 109.5° |
| C25 | C26 | H5 | 109.4° | 109.5° |
| C18 | C28 | C29 | 119.0° | 109.5° |
| C28 | C18 | C16 | 106.6° | 109.5° |
| C28 | C18 | N19 | 110.7° | 109.4° |
| C18 | C28 | H6 | 107.0° | 109.5° |
| C18 | C28 | H7 | 107.0° | 109.5° |
| C28 | C18 | H15 | 108.9° | 109.5° |
| C28 | C29 | N30 | 119.7° | 120.0° |
| C28 | C29 | O41 | 119.7° | 120.0° |
| C29 | C28 | H6 | 107.1° | 109.5° |
| C29 | C28 | H7 | 107.1° | 109.4° |
| C01 | C02 | C03 | 109.6° | 109.5° |
| C01 | C02 | N15 | 110.9° | 109.5° |
| C02 | C01 | H8 | 109.5° | 109.4° |
| C02 | C01 | H9 | 109.5° | 109.5° |
| C02 | C01 | H10 | 109.5° | 109.4° |
| C01 | C02 | H11 | 109.9° | 109.4° |
| C03 | C02 | N15 | 107.1° | 109.5° |
| C02 | C03 | N04 | 125.8° | 125.5° |
| C02 | C03 | N14 | 125.3° | 125.5° |
| C03 | C02 | H11 | 108.5° | 109.5° |
| C02 | N15 | C16 | 119.3° | 120.0° |
| N15 | C02 | H11 | 110.7° | 109.5° |
| C02 | N15 | H31 | 120.4° | 120.0° |
| N04 | C03 | N14 | 109.0° | 109.0° |
| C03 | N04 | C05 | 109.0° | 107.1° |
| C03 | N04 | H29 | 125.5° | 126.4° |
| C06 | C05 | N04 | 124.8° | 126.7° |
| C05 | C06 | C12 | 117.6° | 120.1° |
| C05 | C06 | C07 | 122.3° | 120.2° |
| C05 | N04 | H29 | 125.5° | 126.5° |
| C12 | C06 | C07 | 120.1° | 119.7° |
| C06 | C12 | C11 | 120.8° | 119.9° |
| C06 | C12 | H14 | 119.6° | 120.1° |
| C06 | C07 | C09 | 119.3° | 119.8° |
| C06 | C07 | F08 | 120.4° | 120.1° |
| C09 | C07 | F08 | 120.2° | 120.1° |
| C07 | C09 | H12 | 119.9° | 119.9° |
| C12 | C11 | H13 | 120.4° | 119.9° |
| C11 | C12 | H14 | 119.6° | 120.0° |
| N15 | C16 | O17 | 120.4° | 120.0° |
| N15 | C16 | C18 | 118.9° | 120.0° |
| C16 | N15 | H31 | 120.4° | 120.0° |
| O17 | C16 | C18 | 120.8° | 120.0° |
| C16 | C18 | N19 | 110.7° | 109.5° |
| C16 | C18 | H15 | 109.1° | 109.5° |
| N19 | C18 | H15 | 110.9° | 109.5° |
| C18 | N19 | H32 | 119.7° | 120.0° |
| C27 | C25 | O24 | 107.3° | 106.7° |
| C25 | C27 | H16 | 126.6° | 128.0° |
| C25 | O24 | N23 | 108.5° | 111.8° |
| N30 | C29 | O41 | 120.5° | 120.0° |
| C29 | N30 | C31 | 126.7° | 125.6° |
| C29 | N30 | C40 | 126.8° | 125.7° |
| C32 | C31 | N30 | 110.1° | 109.9° |
| C32 | C31 | C38 | 108.9° | 109.9° |
| C31 | C32 | C37 | 120.3° | 120.0° |
| C31 | C32 | C33 | 120.1° | 120.0° |
| C32 | C31 | H17 | 108.9° | 109.9° |
| N30 | C31 | C38 | 106.8° | 107.3° |
| C31 | N30 | C40 | 106.6° | 108.7° |
| N30 | C31 | H17 | 108.8° | 109.9° |
| C31 | C38 | C39 | 108.4° | 102.9° |
| C38 | C31 | H17 | 113.3° | 110.0° |
| C31 | C38 | H23 | 109.7° | 110.8° |
| C31 | C38 | H24 | 109.8° | 110.9° |
| C37 | C32 | C33 | 119.7° | 120.0° |
| C32 | C37 | C36 | 120.0° | 120.0° |
| C32 | C37 | H22 | 120.0° | 120.0° |
| C32 | C33 | C34 | 120.3° | 120.0° |
| C32 | C33 | H18 | 119.8° | 120.0° |
| C33 | C34 | C35 | 120.0° | 120.0° |
| C34 | C33 | H18 | 119.9° | 120.0° |
| C33 | C34 | H19 | 119.9° | 120.0° |
| C34 | C35 | C36 | 119.8° | 120.0° |
| C35 | C34 | H19 | 120.0° | 120.0° |
| C34 | C35 | H20 | 120.1° | 120.0° |
| C35 | C36 | C37 | 120.2° | 120.0° |
| C36 | C35 | H20 | 120.1° | 120.0° |
| C35 | C36 | H21 | 119.9° | 120.0° |
| C37 | C36 | H21 | 119.9° | 120.0° |
| C36 | C37 | H22 | 120.0° | 120.0° |
| C38 | C39 | C40 | 107.5° | 101.6° |
| C39 | C38 | H23 | 109.7° | 110.7° |
| C39 | C38 | H24 | 109.7° | 110.7° |
| C38 | C39 | H25 | 110.0° | 111.0° |
| C38 | C39 | H26 | 110.0° | 111.0° |
| C39 | C40 | N30 | 106.7° | 104.8° |
| C40 | C39 | H25 | 110.0° | 111.0° |
| C40 | C39 | H26 | 109.9° | 111.0° |
| C39 | C40 | H27 | 110.2° | 110.3° |
| C39 | C40 | H28 | 110.1° | 110.4° |
| N30 | C40 | H27 | 110.2° | 110.4° |
| N30 | C40 | H28 | 110.2° | 110.3° |
| H3 | C26 | H4 | 109.5° | 109.4° |
| H3 | C26 | H5 | 109.5° | 109.5° |
| H4 | C26 | H5 | 109.5° | 109.5° |
| H6 | C28 | H7 | 109.5° | 109.5° |
| H8 | C01 | H9 | 109.4° | 109.5° |
| H8 | C01 | H10 | 109.4° | 109.5° |
| H9 | C01 | H10 | 109.5° | 109.5° |
| H23 | C38 | H24 | 109.5° | 110.6° |
| H25 | C39 | H26 | 109.5° | 110.9° |
| H27 | C40 | H28 | 109.5° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | C09 | H1 | 180.0° | 179.6° |
| C10 | C11 | C12 | C06 | 0.2° | 0.1° |
| C11 | C10 | C09 | C07 | 0.0° | 0.1° |
| C10 | C11 | C12 | H13 | 180.0° | 179.9° |
| C11 | C10 | C09 | H12 | 180.0° | 179.9° |
| C10 | C11 | C12 | H14 | 179.9° | 179.9° |
| C10 | C09 | C07 | C06 | 0.2° | 0.0° |
| C10 | C09 | C07 | H12 | 180.0° | 179.9° |
| C10 | C09 | C07 | F08 | 179.9° | 180.0° |
| C09 | C10 | C11 | C12 | 0.0° | 0.1° |
| C09 | C10 | C11 | H13 | 180.0° | 180.0° |
| C05 | C13 | N14 | H2 | 180.0° | 179.8° |
| C13 | C05 | N04 | C03 | 0.4° | 0.1° |
| C05 | C13 | N14 | C03 | 0.4° | 0.0° |
| C13 | C05 | C06 | N04 | 178.5° | 179.9° |
| C13 | C05 | C06 | C12 | 145.9° | 40.1° |
| C13 | C05 | C06 | C07 | 34.4° | 139.9° |
| C13 | C05 | N04 | H29 | 179.6° | 180.0° |
| C13 | N14 | C03 | C02 | 179.5° | 180.0° |
| C13 | N14 | C03 | N04 | 0.1° | 0.0° |
| N14 | C13 | C05 | C06 | 179.2° | 180.0° |
| N14 | C13 | C05 | N04 | 0.5° | 0.0° |
| O21 | C20 | N19 | C22 | 179.7° | 180.0° |
| O21 | C20 | C22 | C27 | 7.2° | 0.0° |
| O21 | C20 | C22 | N23 | 173.8° | 179.8° |
| O21 | C20 | N19 | C18 | 0.3° | 0.0° |
| O21 | C20 | N19 | H32 | 179.7° | 180.0° |
| N19 | C20 | C22 | C27 | 172.5° | 180.0° |
| N19 | C20 | C22 | N23 | 6.5° | 0.2° |
| C20 | N19 | C18 | C28 | 177.7° | 60.0° |
| C20 | N19 | C18 | C16 | 59.8° | 60.0° |
| C20 | N19 | C18 | H32 | 180.0° | 180.0° |
| C20 | N19 | C18 | H15 | 61.3° | 180.0° |
| C20 | C22 | C27 | N23 | 179.2° | 179.8° |
| C22 | C20 | N19 | C18 | 180.0° | 180.0° |
| C20 | C22 | C27 | C25 | 179.5° | 179.7° |
| C20 | C22 | N23 | O24 | 179.5° | 179.7° |
| C20 | C22 | C27 | H16 | 0.6° | 0.0° |
| C22 | C20 | N19 | H32 | 0.0° | 0.0° |
| C22 | C27 | C25 | C26 | 179.9° | 179.8° |
| C22 | C27 | C25 | H16 | 180.0° | 179.7° |
| C22 | C27 | C25 | O24 | 0.2° | 0.3° |
| C27 | C22 | N23 | O24 | 0.3° | 0.5° |
| N23 | C22 | C27 | C25 | 0.3° | 0.4° |
| C22 | N23 | O24 | C25 | 0.2° | 0.3° |
| N23 | C22 | C27 | H16 | 179.7° | 179.8° |
| C26 | C25 | C27 | O24 | 179.9° | 180.0° |
| C26 | C25 | O24 | N23 | 179.9° | 180.0° |
| C25 | C26 | H3 | H4 | 120.0° | 120.0° |
| C25 | C26 | H3 | H5 | 120.0° | 120.0° |
| C25 | C26 | H4 | H5 | 120.0° | 120.0° |
| C26 | C25 | C27 | H16 | 0.1° | 0.0° |
| C18 | C28 | C29 | H6 | 121.4° | 120.0° |
| C18 | C28 | C29 | H7 | 121.3° | 119.9° |
| C28 | C18 | C16 | N15 | 90.7° | 80.0° |
| C28 | C18 | C16 | O17 | 88.6° | 100.0° |
| C28 | C18 | C16 | N19 | 120.4° | 120.0° |
| C28 | C18 | C16 | H15 | 117.4° | 120.0° |
| C28 | C18 | N19 | H15 | 120.9° | 120.0° |
| C18 | C28 | C29 | N30 | 140.6° | 180.0° |
| C18 | C28 | C29 | O41 | 39.3° | 0.0° |
| C18 | C28 | H6 | H7 | 115.7° | 120.0° |
| C28 | C18 | N19 | H32 | 2.2° | 120.0° |
| C29 | C28 | C18 | C16 | 174.4° | 175.0° |
| C29 | C28 | C18 | N19 | 65.2° | 65.0° |
| C28 | C29 | N30 | O41 | 179.9° | 180.0° |
| C28 | C29 | N30 | C31 | 0.4° | 179.9° |
| C28 | C29 | N30 | C40 | 179.9° | 0.1° |
| C29 | C28 | H6 | H7 | 115.7° | 120.0° |
| C29 | C28 | C18 | H15 | 56.9° | 55.0° |
| C01 | C02 | C03 | N15 | 120.4° | 120.0° |
| C01 | C02 | C03 | H11 | 120.0° | 120.0° |
| C01 | C02 | N15 | H11 | 122.3° | 120.0° |
| C01 | C02 | C03 | N04 | 86.6° | 85.0° |
| C01 | C02 | C03 | N14 | 94.1° | 95.0° |
| C01 | C02 | N15 | C16 | 164.2° | 85.0° |
| C02 | C01 | H8 | H9 | 120.0° | 120.0° |
| C02 | C01 | H8 | H10 | 120.0° | 120.0° |
| C02 | C01 | H9 | H10 | 120.0° | 120.0° |
| C01 | C02 | N15 | H31 | 15.8° | 95.0° |
| C03 | C02 | N15 | H11 | 118.1° | 120.0° |
| C02 | C03 | N04 | N14 | 179.4° | 180.0° |
| C02 | C03 | N04 | C05 | 179.2° | 180.0° |
| C03 | C02 | N15 | C16 | 76.3° | 155.0° |
| C03 | C02 | C01 | H8 | 180.0° | 60.0° |
| C03 | C02 | C01 | H9 | 60.0° | 180.0° |
| C03 | C02 | C01 | H10 | 60.0° | 60.0° |
| C02 | C03 | N04 | H29 | 0.8° | 0.0° |
| C03 | C02 | N15 | H31 | 103.8° | 25.0° |
| N15 | C02 | C03 | N04 | 153.0° | 155.0° |
| N15 | C02 | C03 | N14 | 26.3° | 25.0° |
| C02 | N15 | C16 | H31 | 180.0° | 180.0° |
| C02 | N15 | C16 | O17 | 0.4° | 0.0° |
| C02 | N15 | C16 | C18 | 178.9° | 180.0° |
| N15 | C02 | C01 | H8 | 61.9° | 180.0° |
| N15 | C02 | C01 | H9 | 58.1° | 60.0° |
| N15 | C02 | C01 | H10 | 178.1° | 60.0° |
| C03 | N04 | C05 | C06 | 179.2° | 180.0° |
| C03 | N04 | C05 | H29 | 180.0° | 180.0° |
| N04 | C03 | C02 | H11 | 33.4° | 34.9° |
| N14 | C03 | N04 | C05 | 0.2° | 0.0° |
| C03 | N14 | C13 | H2 | 179.6° | 179.8° |
| N14 | C03 | C02 | H11 | 145.9° | 145.0° |
| N14 | C03 | N04 | H29 | 179.8° | 180.0° |
| C05 | C06 | C12 | C07 | 179.7° | 180.0° |
| C05 | C06 | C07 | C09 | 180.0° | 180.0° |
| C05 | C06 | C07 | F08 | 0.3° | 0.0° |
| C05 | C06 | C12 | C11 | 180.0° | 179.9° |
| C06 | C05 | C13 | H2 | 0.8° | 0.2° |
| C05 | C06 | C12 | H14 | 0.0° | 0.1° |
| C06 | C05 | N04 | H29 | 0.8° | 0.0° |
| N04 | C05 | C06 | C12 | 32.6° | 140.0° |
| N04 | C05 | C06 | C07 | 147.1° | 40.0° |
| N04 | C05 | C13 | H2 | 179.5° | 179.8° |
| C12 | C06 | C07 | C09 | 0.3° | 0.0° |
| C12 | C06 | C07 | F08 | 179.9° | 180.0° |
| C06 | C12 | C11 | H14 | 180.0° | 180.0° |
| C06 | C12 | C11 | H13 | 179.8° | 180.0° |
| C06 | C07 | C09 | F08 | 179.7° | 180.0° |
| C07 | C06 | C12 | C11 | 0.3° | 0.0° |
| C06 | C07 | C09 | H12 | 179.8° | 180.0° |
| C07 | C06 | C12 | H14 | 179.7° | 180.0° |
| C07 | C09 | C10 | H1 | 180.0° | 179.7° |
| F08 | C07 | C09 | H12 | 0.1° | 0.1° |
| C12 | C11 | C10 | H1 | 180.0° | 179.7° |
| N15 | C16 | O17 | C18 | 179.2° | 180.0° |
| N15 | C16 | C18 | N19 | 149.0° | 160.0° |
| C16 | N15 | C02 | H11 | 41.9° | 35.0° |
| N15 | C16 | C18 | H15 | 26.7° | 40.0° |
| O17 | C16 | C18 | N19 | 31.8° | 20.0° |
| O17 | C16 | C18 | H15 | 154.0° | 140.0° |
| O17 | C16 | N15 | H31 | 179.6° | 180.0° |
| C16 | C18 | N19 | H15 | 121.2° | 120.0° |
| C16 | C18 | C28 | H6 | 64.2° | 65.0° |
| C16 | C18 | C28 | H7 | 53.0° | 55.1° |
| C18 | C16 | N15 | H31 | 1.2° | 0.0° |
| C16 | C18 | N19 | H32 | 120.2° | 120.0° |
| N19 | C18 | C28 | H6 | 56.1° | 55.0° |
| N19 | C18 | C28 | H7 | 173.4° | 175.0° |
| C27 | C25 | O24 | N23 | 0.0° | 0.0° |
| C27 | C25 | C26 | H3 | 179.9° | 90.0° |
| C27 | C25 | C26 | H4 | 60.1° | 150.0° |
| C27 | C25 | C26 | H5 | 59.9° | 30.0° |
| O24 | C25 | C26 | H3 | 0.0° | 90.0° |
| O24 | C25 | C26 | H4 | 120.0° | 29.9° |
| O24 | C25 | C26 | H5 | 120.0° | 150.0° |
| O24 | C25 | C27 | H16 | 179.8° | 180.0° |
| C29 | N30 | C31 | C32 | 65.5° | 61.7° |
| C29 | N30 | C31 | C40 | 179.8° | 179.9° |
| C29 | N30 | C31 | C38 | 176.5° | 178.9° |
| C29 | N30 | C40 | C39 | 169.5° | 155.8° |
| N30 | C29 | C28 | H6 | 19.2° | 60.0° |
| N30 | C29 | C28 | H7 | 98.1° | 60.1° |
| C29 | N30 | C31 | H17 | 53.9° | 59.3° |
| C29 | N30 | C40 | H27 | 70.9° | 37.0° |
| C29 | N30 | C40 | H28 | 50.0° | 85.3° |
| O41 | C29 | N30 | C31 | 179.7° | 0.1° |
| O41 | C29 | N30 | C40 | 0.0° | 179.9° |
| O41 | C29 | C28 | H6 | 160.6° | 120.0° |
| O41 | C29 | C28 | H7 | 82.1° | 119.9° |
| C32 | C31 | N30 | C38 | 118.0° | 119.4° |
| C32 | C31 | N30 | H17 | 119.3° | 121.0° |
| C32 | C31 | C38 | H17 | 121.4° | 121.1° |
| C31 | C32 | C37 | C33 | 180.0° | 179.8° |
| C31 | C32 | C33 | C34 | 179.9° | 179.7° |
| C31 | C32 | C37 | C36 | 180.0° | 179.7° |
| C32 | C31 | C38 | C39 | 105.0° | 141.6° |
| C32 | C31 | N30 | C40 | 114.3° | 118.4° |
| C31 | C32 | C33 | H18 | 0.1° | 0.2° |
| C31 | C32 | C37 | H22 | 0.1° | 0.3° |
| C32 | C31 | C38 | H23 | 135.2° | 23.3° |
| C32 | C31 | C38 | H24 | 14.8° | 100.0° |
| N30 | C31 | C38 | H17 | 119.8° | 119.5° |
| N30 | C31 | C32 | C37 | 150.3° | 140.0° |
| N30 | C31 | C32 | C33 | 29.7° | 39.7° |
| N30 | C31 | C38 | C39 | 13.8° | 22.3° |
| C31 | N30 | C40 | C39 | 10.3° | 24.1° |
| N30 | C31 | C38 | H23 | 106.0° | 96.1° |
| N30 | C31 | C38 | H24 | 133.6° | 140.7° |
| C31 | N30 | C40 | H27 | 109.3° | 142.9° |
| C31 | N30 | C40 | H28 | 129.8° | 94.8° |
| C38 | C31 | C32 | C37 | 93.0° | 102.2° |
| C38 | C31 | C32 | C33 | 87.0° | 78.1° |
| C31 | C38 | C39 | H23 | 119.8° | 118.4° |
| C31 | C38 | C39 | H24 | 119.8° | 118.5° |
| C31 | C38 | C39 | C40 | 21.5° | 35.5° |
| C38 | C31 | N30 | C40 | 3.7° | 1.0° |
| C31 | C38 | H23 | H24 | 120.5° | 123.4° |
| C31 | C38 | C39 | H25 | 141.3° | 82.6° |
| C31 | C38 | C39 | H26 | 98.1° | 153.6° |
| C37 | C32 | C33 | C34 | 0.1° | 0.1° |
| C32 | C37 | C36 | C35 | 0.0° | 0.1° |
| C32 | C37 | C36 | H22 | 180.0° | 180.0° |
| C37 | C32 | C31 | H17 | 31.1° | 19.0° |
| C37 | C32 | C33 | H18 | 179.9° | 180.0° |
| C32 | C37 | C36 | H21 | 180.0° | 180.0° |
| C32 | C33 | C34 | H18 | 180.0° | 179.9° |
| C32 | C33 | C34 | C35 | 0.0° | 0.1° |
| C33 | C32 | C37 | C36 | 0.1° | 0.1° |
| C33 | C32 | C31 | H17 | 149.0° | 160.8° |
| C32 | C33 | C34 | H19 | 180.0° | 179.9° |
| C33 | C32 | C37 | H22 | 179.9° | 179.9° |
| C33 | C34 | C35 | H19 | 180.0° | 179.9° |
| C33 | C34 | C35 | C36 | 0.1° | 0.1° |
| C33 | C34 | C35 | H20 | 179.9° | 180.0° |
| C34 | C35 | C36 | H20 | 180.0° | 179.8° |
| C34 | C35 | C36 | C37 | 0.1° | 0.1° |
| C35 | C34 | C33 | H18 | 179.9° | 180.0° |
| C34 | C35 | C36 | H21 | 179.9° | 180.0° |
| C35 | C36 | C37 | H21 | 180.0° | 179.9° |
| C36 | C35 | C34 | H19 | 179.9° | 179.9° |
| C35 | C36 | C37 | H22 | 180.0° | 179.9° |
| C37 | C36 | C35 | H20 | 179.9° | 180.0° |
| C38 | C39 | C40 | H25 | 119.7° | 118.1° |
| C38 | C39 | C40 | H26 | 119.7° | 118.0° |
| C38 | C39 | C40 | N30 | 17.8° | 37.0° |
| C39 | C38 | C31 | H17 | 133.6° | 97.3° |
| C39 | C38 | H23 | H24 | 120.5° | 123.1° |
| C38 | C39 | H25 | H26 | 120.9° | 123.9° |
| C38 | C39 | C40 | H27 | 101.8° | 155.9° |
| C38 | C39 | C40 | H28 | 137.4° | 81.9° |
| C39 | C40 | N30 | H27 | 119.6° | 118.8° |
| C39 | C40 | N30 | H28 | 119.5° | 118.9° |
| C40 | C39 | C38 | H23 | 98.3° | 82.9° |
| C40 | C39 | C38 | H24 | 141.4° | 154.1° |
| C40 | C39 | H25 | H26 | 120.9° | 123.9° |
| C39 | C40 | H27 | H28 | 121.2° | 122.3° |
| C40 | N30 | C31 | H17 | 126.4° | 120.6° |
| N30 | C40 | C39 | H25 | 137.5° | 81.1° |
| N30 | C40 | C39 | H26 | 101.9° | 155.0° |
| N30 | C40 | H27 | H28 | 121.3° | 122.3° |
| H1 | C10 | C09 | H12 | 0.0° | 0.3° |
| H1 | C10 | C11 | H13 | 0.0° | 0.4° |
| H3 | C26 | H4 | H5 | 120.0° | 120.0° |
| H6 | C28 | C18 | H15 | 178.2° | 175.0° |
| H7 | C28 | C18 | H15 | 64.5° | 65.0° |
| H8 | C01 | H9 | H10 | 119.9° | 120.1° |
| H8 | C01 | C02 | H11 | 60.8° | 60.0° |
| H9 | C01 | C02 | H11 | 179.2° | 60.0° |
| H10 | C01 | C02 | H11 | 59.2° | 180.0° |
| H11 | C02 | N15 | H31 | 138.1° | 145.0° |
| H13 | C11 | C12 | H14 | 0.2° | 0.0° |
| H15 | C18 | N19 | H32 | 118.7° | 0.0° |
| H17 | C31 | C38 | H23 | 13.8° | 144.3° |
| H17 | C31 | C38 | H24 | 106.6° | 21.1° |
| H18 | C33 | C34 | H19 | 0.1° | 0.1° |
| H19 | C34 | C35 | H20 | 0.1° | 0.1° |
| H20 | C35 | C36 | H21 | 0.1° | 0.2° |
| H21 | C36 | C37 | H22 | 0.0° | 0.1° |
| H23 | C38 | C39 | H25 | 21.4° | 159.0° |
| H23 | C38 | C39 | H26 | 142.0° | 35.2° |
| H24 | C38 | C39 | H25 | 98.9° | 36.0° |
| H24 | C38 | C39 | H26 | 21.7° | 87.9° |
| H25 | C39 | C40 | H27 | 17.9° | 37.8° |
| H25 | C39 | C40 | H28 | 102.9° | 160.1° |
| H26 | C39 | C40 | H27 | 138.5° | 86.1° |
| H26 | C39 | C40 | H28 | 17.7° | 36.2° |
