JS9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C32 | C31 | doub | 1.38Å | 1.41Å | Aromatic |
| C32 | C33 | sing | 1.39Å | 1.41Å | Aromatic |
| O34 | C33 | sing | 1.36Å | 1.41Å | |
| O34 | C35 | sing | 1.43Å | 1.43Å | |
| C31 | C28 | sing | 1.39Å | 1.43Å | Aromatic |
| C33 | C36 | doub | 1.38Å | 1.41Å | Aromatic |
| C30 | O29 | sing | 1.43Å | 1.42Å | |
| C28 | O29 | sing | 1.36Å | 1.41Å | |
| C28 | C27 | doub | 1.40Å | 1.41Å | Aromatic |
| C36 | C27 | sing | 1.39Å | 1.41Å | Aromatic |
| C27 | C24 | sing | 1.48Å | 1.54Å | |
| C24 | C23 | doub | 1.39Å | 1.40Å | Aromatic |
| C24 | N25 | sing | 1.33Å | 1.34Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| N25 | C26 | doub | 1.32Å | 1.35Å | Aromatic |
| C22 | C21 | doub | 1.40Å | 1.40Å | Aromatic |
| C26 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| C21 | C18 | sing | 1.48Å | 1.53Å | |
| C18 | N19 | sing | 1.35Å | 1.32Å | Aromatic |
| C18 | C17 | doub | 1.37Å | 1.38Å | Aromatic |
| N19 | N20 | doub | 1.29Å | 1.35Å | Aromatic |
| C17 | N16 | sing | 1.35Å | 1.32Å | Aromatic |
| N20 | N16 | sing | 1.29Å | 1.35Å | Aromatic |
| N16 | C15 | sing | 1.47Å | 1.45Å | |
| C15 | C14 | sing | 1.53Å | 1.50Å | |
| C14 | C13 | sing | 1.51Å | 1.53Å | |
| C37 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C37 | C38 | sing | 1.38Å | 1.37Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.42Å | Aromatic |
| C38 | C10 | doub | 1.40Å | 1.40Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.40Å | 1.40Å | Aromatic |
| C10 | C08 | sing | 1.48Å | 1.53Å | |
| C05 | C04 | sing | 1.53Å | 1.58Å | |
| C05 | N06 | sing | 1.47Å | 1.49Å | |
| C40 | C04 | sing | 1.53Å | 1.53Å | |
| C40 | C39 | sing | 1.53Å | 1.54Å | |
| O02 | C01 | sing | 1.43Å | 1.41Å | |
| O02 | C03 | sing | 1.43Å | 1.41Å | |
| C04 | C39 | sing | 1.53Å | 1.54Å | |
| C04 | C03 | sing | 1.53Å | 1.56Å | |
| N06 | C08 | sing | 1.35Å | 1.48Å | |
| N06 | C07 | sing | 1.46Å | 1.47Å | |
| C08 | O09 | doub | 1.21Å | 1.19Å | |
| C15 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.08Å | 1.08Å | |
| C22 | H4 | sing | 1.08Å | 1.08Å | |
| C26 | H5 | sing | 1.08Å | 1.08Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C03 | H9 | sing | 1.09Å | 1.10Å | |
| C03 | H10 | sing | 1.09Å | 1.10Å | |
| C05 | H11 | sing | 1.09Å | 1.10Å | |
| C05 | H12 | sing | 1.09Å | 1.10Å | |
| C07 | H13 | sing | 1.09Å | 1.10Å | |
| C07 | H14 | sing | 1.09Å | 1.10Å | |
| C07 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.08Å | 1.08Å | |
| C12 | H17 | sing | 1.08Å | 1.08Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.08Å | 1.08Å | |
| C30 | H21 | sing | 1.09Å | 1.10Å | |
| C30 | H22 | sing | 1.09Å | 1.10Å | |
| C30 | H23 | sing | 1.09Å | 1.10Å | |
| C31 | H24 | sing | 1.08Å | 1.08Å | |
| C32 | H25 | sing | 1.08Å | 1.08Å | |
| C35 | H26 | sing | 1.09Å | 1.10Å | |
| C35 | H27 | sing | 1.09Å | 1.10Å | |
| C35 | H28 | sing | 1.09Å | 1.10Å | |
| C36 | H29 | sing | 1.08Å | 1.08Å | |
| C37 | H30 | sing | 1.08Å | 1.08Å | |
| C38 | H31 | sing | 1.08Å | 1.08Å | |
| C39 | H32 | sing | 1.09Å | 1.10Å | |
| C39 | H33 | sing | 1.09Å | 1.10Å | |
| C40 | H34 | sing | 1.09Å | 1.10Å | |
| C40 | H35 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C31 | C32 | C33 | 120.8° | 120.2° |
| C32 | C31 | C28 | 120.4° | 120.1° |
| C32 | C31 | H24 | 119.8° | 119.9° |
| C31 | C32 | H25 | 119.6° | 119.9° |
| C32 | C33 | O34 | 120.0° | 119.9° |
| C32 | C33 | C36 | 118.6° | 120.2° |
| C33 | C32 | H25 | 119.6° | 119.9° |
| C33 | O34 | C35 | 120.1° | 117.0° |
| O34 | C33 | C36 | 121.4° | 119.9° |
| O34 | C35 | H26 | 109.5° | 109.5° |
| O34 | C35 | H27 | 109.5° | 109.5° |
| O34 | C35 | H28 | 109.5° | 109.5° |
| C31 | C28 | O29 | 122.3° | 120.1° |
| C31 | C28 | C27 | 118.7° | 119.9° |
| C28 | C31 | H24 | 119.8° | 119.9° |
| C33 | C36 | C27 | 121.5° | 119.9° |
| C33 | C36 | H29 | 119.3° | 120.1° |
| C30 | O29 | C28 | 117.0° | 117.0° |
| O29 | C30 | H21 | 109.5° | 109.5° |
| O29 | C30 | H22 | 109.5° | 109.5° |
| O29 | C30 | H23 | 109.5° | 109.5° |
| O29 | C28 | C27 | 119.0° | 120.1° |
| C28 | C27 | C36 | 120.1° | 119.7° |
| C28 | C27 | C24 | 125.9° | 120.1° |
| C36 | C27 | C24 | 113.8° | 120.1° |
| C27 | C36 | H29 | 119.2° | 120.1° |
| C27 | C24 | C23 | 118.1° | 119.6° |
| C27 | C24 | N25 | 119.4° | 119.6° |
| C23 | C24 | N25 | 122.2° | 120.7° |
| C24 | C23 | C22 | 119.0° | 119.2° |
| C24 | C23 | H20 | 120.5° | 120.4° |
| C24 | N25 | C26 | 119.2° | 121.8° |
| C23 | C22 | C21 | 118.2° | 118.4° |
| C23 | C22 | H4 | 120.9° | 120.8° |
| C22 | C23 | H20 | 120.5° | 120.3° |
| N25 | C26 | C21 | 121.2° | 120.7° |
| N25 | C26 | H5 | 119.4° | 119.6° |
| C22 | C21 | C26 | 119.9° | 119.2° |
| C22 | C21 | C18 | 117.2° | 120.4° |
| C21 | C22 | H4 | 120.9° | 120.8° |
| C26 | C21 | C18 | 122.5° | 120.4° |
| C21 | C26 | H5 | 119.4° | 119.7° |
| C21 | C18 | N19 | 122.6° | 126.9° |
| C21 | C18 | C17 | 128.4° | 126.9° |
| N19 | C18 | C17 | 108.2° | 106.1° |
| C18 | N19 | N20 | 108.3° | 108.8° |
| C18 | C17 | N16 | 106.5° | 106.1° |
| C18 | C17 | H3 | 126.8° | 127.0° |
| N19 | N20 | N16 | 107.1° | 110.4° |
| C17 | N16 | N20 | 109.9° | 108.5° |
| C17 | N16 | C15 | 130.1° | 125.8° |
| N16 | C17 | H3 | 126.8° | 127.0° |
| N20 | N16 | C15 | 120.0° | 125.7° |
| N16 | C15 | C14 | 112.8° | 109.5° |
| N16 | C15 | H1 | 108.7° | 109.4° |
| N16 | C15 | H2 | 108.7° | 109.5° |
| C15 | C14 | C13 | 117.4° | 109.5° |
| C14 | C15 | H1 | 108.6° | 109.5° |
| C14 | C15 | H2 | 108.6° | 109.5° |
| C15 | C14 | H18 | 107.5° | 109.5° |
| C15 | C14 | H19 | 107.5° | 109.5° |
| C14 | C13 | C37 | 112.6° | 119.8° |
| C14 | C13 | C12 | 125.4° | 119.9° |
| C13 | C14 | H18 | 107.4° | 109.5° |
| C13 | C14 | H19 | 107.4° | 109.4° |
| C13 | C37 | C38 | 119.0° | 120.1° |
| C37 | C13 | C12 | 122.0° | 120.3° |
| C13 | C37 | H30 | 120.5° | 119.9° |
| C37 | C38 | C10 | 120.1° | 119.8° |
| C38 | C37 | H30 | 120.5° | 119.9° |
| C37 | C38 | H31 | 120.0° | 120.1° |
| C13 | C12 | C11 | 118.5° | 120.2° |
| C13 | C12 | H17 | 120.7° | 119.9° |
| C38 | C10 | C11 | 121.0° | 119.8° |
| C38 | C10 | C08 | 112.1° | 120.1° |
| C10 | C38 | H31 | 119.9° | 120.1° |
| C12 | C11 | C10 | 119.2° | 119.8° |
| C12 | C11 | H16 | 120.4° | 120.1° |
| C11 | C12 | H17 | 120.8° | 119.9° |
| C11 | C10 | C08 | 126.4° | 120.1° |
| C10 | C11 | H16 | 120.4° | 120.1° |
| C10 | C08 | N06 | 122.4° | 120.0° |
| C10 | C08 | O09 | 117.7° | 120.0° |
| C04 | C05 | N06 | 102.0° | 109.5° |
| C05 | C04 | C40 | 119.0° | 117.5° |
| C05 | C04 | C39 | 112.5° | 117.5° |
| C05 | C04 | C03 | 120.2° | 115.6° |
| C04 | C05 | H11 | 111.3° | 109.5° |
| C04 | C05 | H12 | 111.3° | 109.5° |
| C05 | N06 | C08 | 123.3° | 120.0° |
| C05 | N06 | C07 | 117.3° | 120.0° |
| N06 | C05 | H11 | 111.3° | 109.5° |
| N06 | C05 | H12 | 111.3° | 109.4° |
| C04 | C40 | C39 | 60.2° | 60.0° |
| C40 | C04 | C39 | 60.1° | 60.0° |
| C40 | C04 | C03 | 114.0° | 117.4° |
| C04 | C40 | H34 | 120.0° | 117.5° |
| C04 | C40 | H35 | 120.0° | 117.5° |
| C40 | C39 | C04 | 59.7° | 60.0° |
| C40 | C39 | H32 | 120.1° | 117.5° |
| C40 | C39 | H33 | 120.1° | 117.5° |
| C39 | C40 | H34 | 120.0° | 117.5° |
| C39 | C40 | H35 | 119.9° | 117.5° |
| C01 | O02 | C03 | 117.9° | 114.0° |
| O02 | C01 | H6 | 109.5° | 109.4° |
| O02 | C01 | H7 | 109.5° | 109.5° |
| O02 | C01 | H8 | 109.5° | 109.5° |
| O02 | C03 | C04 | 104.9° | 109.4° |
| O02 | C03 | H9 | 110.6° | 109.5° |
| O02 | C03 | H10 | 110.6° | 109.5° |
| C39 | C04 | C03 | 116.7° | 117.5° |
| C04 | C39 | H32 | 120.0° | 117.5° |
| C04 | C39 | H33 | 120.1° | 117.5° |
| C04 | C03 | H9 | 110.6° | 109.4° |
| C04 | C03 | H10 | 110.6° | 109.5° |
| C08 | N06 | C07 | 118.9° | 120.1° |
| N06 | C08 | O09 | 119.2° | 120.0° |
| N06 | C07 | H13 | 109.5° | 109.5° |
| N06 | C07 | H14 | 109.5° | 109.4° |
| N06 | C07 | H15 | 109.5° | 109.5° |
| H1 | C15 | H2 | 109.5° | 109.5° |
| H6 | C01 | H7 | 109.5° | 109.5° |
| H6 | C01 | H8 | 109.5° | 109.4° |
| H7 | C01 | H8 | 109.5° | 109.5° |
| H9 | C03 | H10 | 109.5° | 109.5° |
| H11 | C05 | H12 | 109.5° | 109.5° |
| H13 | C07 | H14 | 109.5° | 109.4° |
| H13 | C07 | H15 | 109.4° | 109.5° |
| H14 | C07 | H15 | 109.5° | 109.5° |
| H18 | C14 | H19 | 109.5° | 109.5° |
| H21 | C30 | H22 | 109.4° | 109.4° |
| H21 | C30 | H23 | 109.5° | 109.5° |
| H22 | C30 | H23 | 109.5° | 109.5° |
| H26 | C35 | H27 | 109.4° | 109.4° |
| H26 | C35 | H28 | 109.5° | 109.5° |
| H27 | C35 | H28 | 109.5° | 109.4° |
| H32 | C39 | H33 | 109.5° | 115.6° |
| H34 | C40 | H35 | 109.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C31 | C32 | C33 | H25 | 180.0° | 180.0° |
| C31 | C32 | C33 | O34 | 178.7° | 180.0° |
| C32 | C31 | C28 | H24 | 180.0° | 180.0° |
| C31 | C32 | C33 | C36 | 0.0° | 0.3° |
| C32 | C31 | C28 | O29 | 179.7° | 180.0° |
| C32 | C31 | C28 | C27 | 0.5° | 0.3° |
| C32 | C33 | O34 | C36 | 178.6° | 179.7° |
| C32 | C33 | O34 | C35 | 150.2° | 0.0° |
| C33 | C32 | C31 | C28 | 0.5° | 0.0° |
| C32 | C33 | C36 | C27 | 1.6° | 0.2° |
| C33 | C32 | C31 | H24 | 179.5° | 180.0° |
| C32 | C33 | C36 | H29 | 178.4° | 180.0° |
| O34 | C33 | C36 | C27 | 179.8° | 180.0° |
| O34 | C33 | C32 | H25 | 1.3° | 0.1° |
| C33 | O34 | C35 | H26 | 180.0° | 180.0° |
| C33 | O34 | C35 | H27 | 60.0° | 60.0° |
| C33 | O34 | C35 | H28 | 60.0° | 60.0° |
| O34 | C33 | C36 | H29 | 0.2° | 0.2° |
| C35 | O34 | C33 | C36 | 31.2° | 179.8° |
| O34 | C35 | H26 | H27 | 120.0° | 120.0° |
| O34 | C35 | H26 | H28 | 120.0° | 120.0° |
| O34 | C35 | H27 | H28 | 120.0° | 120.0° |
| C31 | C28 | O29 | C30 | 3.7° | 0.3° |
| C31 | C28 | O29 | C27 | 179.2° | 179.8° |
| C31 | C28 | C27 | C36 | 2.0° | 0.3° |
| C31 | C28 | C27 | C24 | 177.1° | 179.7° |
| C28 | C31 | C32 | H25 | 179.6° | 180.0° |
| C33 | C36 | C27 | C28 | 2.6° | 0.0° |
| C33 | C36 | C27 | H29 | 180.0° | 179.8° |
| C33 | C36 | C27 | C24 | 178.3° | 179.9° |
| C36 | C33 | C32 | H25 | 179.9° | 179.8° |
| C30 | O29 | C28 | C27 | 175.4° | 180.0° |
| O29 | C30 | H21 | H22 | 120.0° | 120.0° |
| O29 | C30 | H21 | H23 | 120.0° | 120.0° |
| O29 | C30 | H22 | H23 | 120.0° | 120.0° |
| O29 | C28 | C27 | C36 | 178.8° | 180.0° |
| O29 | C28 | C27 | C24 | 3.7° | 0.1° |
| C28 | O29 | C30 | H21 | 180.0° | 179.9° |
| C28 | O29 | C30 | H22 | 60.0° | 60.0° |
| C28 | O29 | C30 | H23 | 60.0° | 60.0° |
| O29 | C28 | C31 | H24 | 0.3° | 0.0° |
| C28 | C27 | C36 | C24 | 175.7° | 180.0° |
| C28 | C27 | C24 | C23 | 40.5° | 180.0° |
| C28 | C27 | C24 | N25 | 145.1° | 0.3° |
| C27 | C28 | C31 | H24 | 179.5° | 179.8° |
| C28 | C27 | C36 | H29 | 177.4° | 179.8° |
| C36 | C27 | C24 | C23 | 134.9° | 0.0° |
| C36 | C27 | C24 | N25 | 39.5° | 179.7° |
| C27 | C24 | C23 | N25 | 174.2° | 179.7° |
| C27 | C24 | C23 | C22 | 177.7° | 180.0° |
| C27 | C24 | N25 | C26 | 175.7° | 180.0° |
| C27 | C24 | C23 | H20 | 2.3° | 0.3° |
| C24 | C27 | C36 | H29 | 1.7° | 0.2° |
| C24 | C23 | C22 | H20 | 180.0° | 179.7° |
| C23 | C24 | N25 | C26 | 1.5° | 0.3° |
| C24 | C23 | C22 | C21 | 1.0° | 0.0° |
| C24 | C23 | C22 | H4 | 178.9° | 180.0° |
| N25 | C24 | C23 | C22 | 3.5° | 0.3° |
| C24 | N25 | C26 | C21 | 2.8° | 0.1° |
| C24 | N25 | C26 | H5 | 177.2° | 179.9° |
| N25 | C24 | C23 | H20 | 176.5° | 180.0° |
| C23 | C22 | C21 | H4 | 180.0° | 180.0° |
| C23 | C22 | C21 | C26 | 3.1° | 0.2° |
| C23 | C22 | C21 | C18 | 175.6° | 180.0° |
| N25 | C26 | C21 | C22 | 5.1° | 0.2° |
| N25 | C26 | C21 | H5 | 180.0° | 180.0° |
| N25 | C26 | C21 | C18 | 177.2° | 180.0° |
| C22 | C21 | C26 | C18 | 172.1° | 179.7° |
| C22 | C21 | C18 | N19 | 6.8° | 0.1° |
| C22 | C21 | C18 | C17 | 175.5° | 179.9° |
| C22 | C21 | C26 | H5 | 174.9° | 179.8° |
| C21 | C22 | C23 | H20 | 178.9° | 179.7° |
| C26 | C21 | C18 | N19 | 165.5° | 179.8° |
| C26 | C21 | C18 | C17 | 3.2° | 0.3° |
| C26 | C21 | C22 | H4 | 177.0° | 179.8° |
| C21 | C18 | N19 | C17 | 170.7° | 179.9° |
| C21 | C18 | N19 | N20 | 174.0° | 179.7° |
| C21 | C18 | C17 | N16 | 172.6° | 179.9° |
| C21 | C18 | C17 | H3 | 7.4° | 0.3° |
| C18 | C21 | C22 | H4 | 4.4° | 0.0° |
| C18 | C21 | C26 | H5 | 2.8° | 0.1° |
| N19 | C18 | C17 | N16 | 2.6° | 0.0° |
| C18 | N19 | N20 | N16 | 2.8° | 0.4° |
| N19 | C18 | C17 | H3 | 177.3° | 179.8° |
| C17 | C18 | N19 | N20 | 3.3° | 0.2° |
| C18 | C17 | N16 | H3 | 180.0° | 179.7° |
| C18 | C17 | N16 | N20 | 0.9° | 0.2° |
| C18 | C17 | N16 | C15 | 176.7° | 179.7° |
| N19 | N20 | N16 | C17 | 1.1° | 0.4° |
| N19 | N20 | N16 | C15 | 179.0° | 179.6° |
| C17 | N16 | N20 | C15 | 177.9° | 179.9° |
| C17 | N16 | C15 | C14 | 6.1° | 125.0° |
| C17 | N16 | C15 | H1 | 114.4° | 5.0° |
| C17 | N16 | C15 | H2 | 126.6° | 115.0° |
| N20 | N16 | C15 | C14 | 176.5° | 54.9° |
| N20 | N16 | C15 | H1 | 63.0° | 174.9° |
| N20 | N16 | C15 | H2 | 56.0° | 65.1° |
| N20 | N16 | C17 | H3 | 179.1° | 180.0° |
| N16 | C15 | C14 | H1 | 120.5° | 120.0° |
| N16 | C15 | C14 | H2 | 120.5° | 120.0° |
| N16 | C15 | C14 | C13 | 177.2° | 180.0° |
| N16 | C15 | H1 | H2 | 118.5° | 120.0° |
| C15 | N16 | C17 | H3 | 3.3° | 0.0° |
| N16 | C15 | C14 | H18 | 56.1° | 60.0° |
| N16 | C15 | C14 | H19 | 61.6° | 60.0° |
| C15 | C14 | C13 | H18 | 121.2° | 120.0° |
| C15 | C14 | C13 | H19 | 121.2° | 120.0° |
| C15 | C14 | C13 | C37 | 176.5° | 89.4° |
| C15 | C14 | C13 | C12 | 4.2° | 90.0° |
| C14 | C15 | H1 | H2 | 118.5° | 120.0° |
| C15 | C14 | H18 | H19 | 116.4° | 120.0° |
| C14 | C13 | C37 | C12 | 179.3° | 179.4° |
| C14 | C13 | C37 | C38 | 178.9° | 179.7° |
| C14 | C13 | C12 | C11 | 179.9° | 180.0° |
| C13 | C14 | C15 | H1 | 62.3° | 60.0° |
| C13 | C14 | C15 | H2 | 56.7° | 60.0° |
| C14 | C13 | C12 | H17 | 0.1° | 0.0° |
| C13 | C14 | H18 | H19 | 116.4° | 120.0° |
| C14 | C13 | C37 | H30 | 1.1° | 0.7° |
| C13 | C37 | C38 | H30 | 180.0° | 179.1° |
| C13 | C37 | C38 | C10 | 3.9° | 0.6° |
| C37 | C13 | C12 | C11 | 0.9° | 0.6° |
| C37 | C13 | C12 | H17 | 179.1° | 179.4° |
| C37 | C13 | C14 | H18 | 55.3° | 30.6° |
| C37 | C13 | C14 | H19 | 62.3° | 150.6° |
| C13 | C37 | C38 | H31 | 176.1° | 180.0° |
| C38 | C37 | C13 | C12 | 0.4° | 0.8° |
| C37 | C38 | C10 | H31 | 180.0° | 179.4° |
| C37 | C38 | C10 | C11 | 6.1° | 0.0° |
| C37 | C38 | C10 | C08 | 178.1° | 179.7° |
| C13 | C12 | C11 | H17 | 180.0° | 179.9° |
| C13 | C12 | C11 | C10 | 1.2° | 0.0° |
| C13 | C12 | C11 | H16 | 178.8° | 180.0° |
| C12 | C13 | C14 | H18 | 125.4° | 150.0° |
| C12 | C13 | C14 | H19 | 116.9° | 30.0° |
| C12 | C13 | C37 | H30 | 179.6° | 179.9° |
| C38 | C10 | C11 | C12 | 4.7° | 0.3° |
| C38 | C10 | C11 | C08 | 170.7° | 179.7° |
| C38 | C10 | C08 | N06 | 46.8° | 149.1° |
| C38 | C10 | C08 | O09 | 123.3° | 30.9° |
| C38 | C10 | C11 | H16 | 175.3° | 179.7° |
| C10 | C38 | C37 | H30 | 176.1° | 179.6° |
| C12 | C11 | C10 | H16 | 180.0° | 180.0° |
| C12 | C11 | C10 | C08 | 175.4° | 180.0° |
| C11 | C10 | C08 | N06 | 141.8° | 31.1° |
| C11 | C10 | C08 | O09 | 48.2° | 148.8° |
| C10 | C11 | C12 | H17 | 178.8° | 180.0° |
| C11 | C10 | C38 | H31 | 173.9° | 179.4° |
| C10 | C08 | N06 | C05 | 12.9° | 174.7° |
| C10 | C08 | N06 | O09 | 169.9° | 179.9° |
| C10 | C08 | N06 | C07 | 175.8° | 5.3° |
| C08 | C10 | C11 | H16 | 4.5° | 0.0° |
| C08 | C10 | C38 | H31 | 1.9° | 0.3° |
| C04 | C05 | N06 | H11 | 118.8° | 120.0° |
| C04 | C05 | N06 | H12 | 118.8° | 120.0° |
| C05 | C04 | C40 | C39 | 100.7° | 107.5° |
| C05 | C04 | C40 | C03 | 151.1° | 145.0° |
| C05 | C04 | C03 | O02 | 63.5° | 39.7° |
| C05 | C04 | C39 | C03 | 144.8° | 145.1° |
| C04 | C05 | N06 | C08 | 106.6° | 95.6° |
| C04 | C05 | N06 | C07 | 64.9° | 84.4° |
| C05 | C04 | C03 | H9 | 55.7° | 80.2° |
| C05 | C04 | C03 | H10 | 177.2° | 159.7° |
| C04 | C05 | H11 | H12 | 123.4° | 120.0° |
| C05 | C04 | C39 | H32 | 139.1° | 0.0° |
| C05 | C04 | C39 | H33 | 2.1° | 145.0° |
| C05 | C04 | C40 | H34 | 149.8° | 145.0° |
| C05 | C04 | C40 | H35 | 8.8° | 0.1° |
| N06 | C05 | C04 | C40 | 161.1° | 126.4° |
| N06 | C05 | C04 | C39 | 93.9° | 57.8° |
| N06 | C05 | C04 | C03 | 49.6° | 88.0° |
| C05 | N06 | C08 | C07 | 171.4° | 180.0° |
| C05 | N06 | C08 | O09 | 177.2° | 5.2° |
| N06 | C05 | H11 | H12 | 123.5° | 120.0° |
| C05 | N06 | C07 | H13 | 180.0° | 90.2° |
| C05 | N06 | C07 | H14 | 60.0° | 149.9° |
| C05 | N06 | C07 | H15 | 60.0° | 29.8° |
| C04 | C40 | C39 | H34 | 109.5° | 107.5° |
| C04 | C40 | C39 | H35 | 109.5° | 107.5° |
| C40 | C04 | C03 | O02 | 87.2° | 106.0° |
| C40 | C04 | C39 | C03 | 103.7° | 107.4° |
| C40 | C04 | C03 | H9 | 153.6° | 134.1° |
| C40 | C04 | C03 | H10 | 32.1° | 14.0° |
| C40 | C04 | C05 | H11 | 42.3° | 6.4° |
| C40 | C04 | C05 | H12 | 80.1° | 113.6° |
| C04 | C40 | C39 | H32 | 109.3° | 107.5° |
| C04 | C40 | C39 | H33 | 109.4° | 107.5° |
| C04 | C40 | H34 | H35 | 144.6° | 145.7° |
| C40 | C39 | H32 | H33 | 145.0° | 145.6° |
| C39 | C40 | H34 | H35 | 144.6° | 145.7° |
| C01 | O02 | C03 | C04 | 179.4° | 180.0° |
| O02 | C01 | H6 | H7 | 120.0° | 120.0° |
| O02 | C01 | H6 | H8 | 120.0° | 119.9° |
| O02 | C01 | H7 | H8 | 120.0° | 120.0° |
| C01 | O02 | C03 | H9 | 61.4° | 60.0° |
| C01 | O02 | C03 | H10 | 60.1° | 60.0° |
| O02 | C03 | C04 | C39 | 154.5° | 174.6° |
| O02 | C03 | C04 | H9 | 119.3° | 119.9° |
| O02 | C03 | C04 | H10 | 119.3° | 120.0° |
| C03 | O02 | C01 | H6 | 180.0° | 60.0° |
| C03 | O02 | C01 | H7 | 60.0° | 180.0° |
| C03 | O02 | C01 | H8 | 60.0° | 60.0° |
| O02 | C03 | H9 | H10 | 122.2° | 120.0° |
| C39 | C04 | C03 | H9 | 86.3° | 65.5° |
| C39 | C04 | C03 | H10 | 35.2° | 54.6° |
| C39 | C04 | C05 | H11 | 24.9° | 62.2° |
| C39 | C04 | C05 | H12 | 147.3° | 177.7° |
| C04 | C39 | H32 | H33 | 144.9° | 145.7° |
| C04 | C03 | H9 | H10 | 122.1° | 120.1° |
| C03 | C04 | C05 | H11 | 168.4° | 152.0° |
| C03 | C04 | C05 | H12 | 69.2° | 32.0° |
| C03 | C04 | C39 | H32 | 5.7° | 145.1° |
| C03 | C04 | C39 | H33 | 147.0° | 0.0° |
| C03 | C04 | C40 | H34 | 1.3° | 0.0° |
| C03 | C04 | C40 | H35 | 142.3° | 145.0° |
| C08 | N06 | C05 | H11 | 134.6° | 24.4° |
| C08 | N06 | C05 | H12 | 12.2° | 144.4° |
| C08 | N06 | C07 | H13 | 8.1° | 89.8° |
| C08 | N06 | C07 | H14 | 111.9° | 30.2° |
| C08 | N06 | C07 | H15 | 128.1° | 150.2° |
| C07 | N06 | C08 | O09 | 5.9° | 174.8° |
| C07 | N06 | C05 | H11 | 53.9° | 155.6° |
| C07 | N06 | C05 | H12 | 176.3° | 35.7° |
| N06 | C07 | H13 | H14 | 120.0° | 120.0° |
| N06 | C07 | H13 | H15 | 120.0° | 120.0° |
| N06 | C07 | H14 | H15 | 120.0° | 120.0° |
| H1 | C15 | C14 | H18 | 176.6° | 180.0° |
| H1 | C15 | C14 | H19 | 58.9° | 60.0° |
| H2 | C15 | C14 | H18 | 64.4° | 60.0° |
| H2 | C15 | C14 | H19 | 177.9° | 180.0° |
| H4 | C22 | C23 | H20 | 1.1° | 0.3° |
| H6 | C01 | H7 | H8 | 120.0° | 120.0° |
| H13 | C07 | H14 | H15 | 120.0° | 120.0° |
| H16 | C11 | C12 | H17 | 1.2° | 0.1° |
| H21 | C30 | H22 | H23 | 120.0° | 120.0° |
| H24 | C31 | C32 | H25 | 0.4° | 0.0° |
| H26 | C35 | H27 | H28 | 120.0° | 120.0° |
| H30 | C37 | C38 | H31 | 3.9° | 0.9° |
| H32 | C39 | C40 | H34 | 0.2° | 145.0° |
| H32 | C39 | C40 | H35 | 141.1° | 0.1° |
| H33 | C39 | C40 | H34 | 141.1° | 0.0° |
| H33 | C39 | C40 | H35 | 0.1° | 145.0° |
