XMY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N15 | C14 | sing | 1.34Å | 1.34Å | Aromatic |
| N15 | C16 | doub | 1.31Å | 1.35Å | Aromatic |
| C14 | C13 | doub | 1.35Å | 1.37Å | Aromatic |
| C16 | N17 | sing | 1.35Å | 1.35Å | Aromatic |
| C01 | C02 | sing | 1.53Å | 1.55Å | |
| C03 | C02 | sing | 1.53Å | 1.51Å | |
| C03 | C04 | sing | 1.53Å | 1.56Å | |
| C13 | N17 | sing | 1.37Å | 1.34Å | Aromatic |
| C13 | C12 | sing | 1.51Å | 1.58Å | |
| N17 | C18 | sing | 1.47Å | 1.49Å | |
| C04 | C05 | sing | 1.53Å | 1.61Å | |
| C05 | C06 | sing | 1.53Å | 1.48Å | |
| C05 | N11 | sing | 1.47Å | 1.39Å | |
| F36 | C33 | sing | 1.40Å | 1.36Å | |
| C12 | N11 | sing | 1.47Å | 1.29Å | |
| C06 | N07 | sing | 1.46Å | 1.47Å | |
| C18 | C19 | sing | 1.51Å | 1.56Å | |
| N11 | C10 | sing | 1.47Å | 1.36Å | |
| C25 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.37Å | Aromatic |
| F35 | C33 | sing | 1.40Å | 1.38Å | |
| C33 | F34 | sing | 1.40Å | 1.36Å | |
| C33 | O32 | sing | 1.43Å | 1.42Å | |
| C19 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C24 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| N07 | C26 | sing | 1.40Å | 1.47Å | |
| N07 | C08 | sing | 1.34Å | 1.46Å | |
| C10 | C08 | sing | 1.50Å | 1.59Å | |
| C27 | C26 | doub | 1.39Å | 1.42Å | Aromatic |
| C27 | C28 | sing | 1.39Å | 1.36Å | Aromatic |
| O32 | C28 | sing | 1.36Å | 1.45Å | |
| C26 | C31 | sing | 1.39Å | 1.34Å | Aromatic |
| C28 | C29 | doub | 1.39Å | 1.38Å | Aromatic |
| C08 | O09 | doub | 1.21Å | 1.14Å | |
| C20 | C21 | doub | 1.38Å | 1.37Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.35Å | Aromatic |
| C22 | BR23 | sing | 1.89Å | 1.94Å | |
| C31 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C20 | H3 | sing | 1.08Å | 1.08Å | |
| C21 | H4 | sing | 1.08Å | 1.08Å | |
| C24 | 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 | |
| C02 | H9 | sing | 1.09Å | 1.10Å | |
| C02 | H10 | sing | 1.09Å | 1.10Å | |
| C03 | H11 | sing | 1.09Å | 1.10Å | |
| C03 | H12 | sing | 1.09Å | 1.10Å | |
| C04 | H13 | sing | 1.09Å | 1.10Å | |
| C04 | H14 | sing | 1.09Å | 1.10Å | |
| C05 | H15 | sing | 1.09Å | 1.10Å | |
| C06 | H16 | sing | 1.09Å | 1.10Å | |
| C06 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.08Å | 1.08Å | |
| C16 | H21 | sing | 1.08Å | 1.08Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.08Å | 1.08Å | |
| C27 | H25 | sing | 1.08Å | 1.08Å | |
| C29 | H26 | sing | 1.08Å | 1.08Å | |
| C30 | H27 | sing | 1.08Å | 1.08Å | |
| C31 | H28 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | N15 | C16 | 108.2° | 109.2° |
| N15 | C14 | C13 | 107.9° | 108.0° |
| N15 | C14 | H20 | 126.1° | 126.0° |
| N15 | C16 | N17 | 108.0° | 108.7° |
| N15 | C16 | H21 | 126.0° | 125.6° |
| C14 | C13 | N17 | 107.3° | 106.8° |
| C14 | C13 | C12 | 126.7° | 126.6° |
| C13 | C14 | H20 | 126.1° | 126.0° |
| C16 | N17 | C13 | 108.5° | 107.2° |
| C16 | N17 | C18 | 125.8° | 126.4° |
| N17 | C16 | H21 | 126.0° | 125.6° |
| C01 | C02 | C03 | 113.3° | 109.5° |
| C02 | C01 | H6 | 109.5° | 109.5° |
| C02 | C01 | H7 | 109.5° | 109.5° |
| C02 | C01 | H8 | 109.5° | 109.5° |
| C01 | C02 | H9 | 108.5° | 109.5° |
| C01 | C02 | H10 | 108.5° | 109.5° |
| C02 | C03 | C04 | 111.3° | 109.5° |
| C03 | C02 | H9 | 108.5° | 109.5° |
| C03 | C02 | H10 | 108.5° | 109.5° |
| C02 | C03 | H11 | 109.0° | 109.5° |
| C02 | C03 | H12 | 109.0° | 109.5° |
| C03 | C04 | C05 | 112.7° | 109.5° |
| C04 | C03 | H11 | 109.0° | 109.5° |
| C04 | C03 | H12 | 109.0° | 109.5° |
| C03 | C04 | H13 | 108.6° | 109.5° |
| C03 | C04 | H14 | 108.7° | 109.5° |
| N17 | C13 | C12 | 125.9° | 126.6° |
| C13 | N17 | C18 | 125.6° | 126.4° |
| C13 | C12 | N11 | 109.5° | 109.5° |
| C13 | C12 | H18 | 109.4° | 109.4° |
| C13 | C12 | H19 | 109.4° | 109.5° |
| N17 | C18 | C19 | 110.1° | 109.5° |
| N17 | C18 | H22 | 109.3° | 109.5° |
| N17 | C18 | H23 | 109.3° | 109.4° |
| C04 | C05 | C06 | 107.0° | 109.6° |
| C04 | C05 | N11 | 111.1° | 109.6° |
| C05 | C04 | H13 | 108.7° | 109.4° |
| C05 | C04 | H14 | 108.6° | 109.4° |
| C04 | C05 | H15 | 107.0° | 109.6° |
| C06 | C05 | N11 | 113.2° | 108.7° |
| C05 | C06 | N07 | 116.2° | 110.0° |
| C06 | C05 | H15 | 108.5° | 109.6° |
| C05 | C06 | H16 | 107.8° | 109.4° |
| C05 | C06 | H17 | 107.8° | 109.4° |
| C05 | N11 | C12 | 111.8° | 111.0° |
| C05 | N11 | C10 | 113.2° | 110.2° |
| N11 | C05 | H15 | 109.7° | 109.7° |
| F36 | C33 | F35 | 112.0° | 109.5° |
| F36 | C33 | F34 | 110.2° | 109.5° |
| F36 | C33 | O32 | 107.7° | 109.5° |
| C12 | N11 | C10 | 111.6° | 111.0° |
| N11 | C12 | H18 | 109.5° | 109.4° |
| N11 | C12 | H19 | 109.5° | 109.5° |
| C06 | N07 | C26 | 119.1° | 118.5° |
| C06 | N07 | C08 | 118.7° | 122.9° |
| N07 | C06 | H16 | 107.8° | 109.4° |
| N07 | C06 | H17 | 107.8° | 109.4° |
| C18 | C19 | C25 | 121.7° | 120.0° |
| C18 | C19 | C20 | 118.7° | 120.0° |
| C19 | C18 | H22 | 109.3° | 109.5° |
| C19 | C18 | H23 | 109.3° | 109.5° |
| N11 | C10 | C08 | 112.5° | 110.0° |
| N11 | C10 | H1 | 108.7° | 109.4° |
| N11 | C10 | H2 | 108.7° | 109.3° |
| C19 | C25 | C24 | 119.9° | 120.0° |
| C25 | C19 | C20 | 119.7° | 120.0° |
| C19 | C25 | H24 | 120.1° | 120.0° |
| C25 | C24 | C22 | 119.4° | 120.0° |
| C25 | C24 | H5 | 120.3° | 120.0° |
| C24 | C25 | H24 | 120.0° | 120.0° |
| F35 | C33 | F34 | 109.1° | 109.5° |
| F35 | C33 | O32 | 110.1° | 109.5° |
| F34 | C33 | O32 | 107.7° | 109.5° |
| C33 | O32 | C28 | 117.3° | 117.0° |
| C19 | C20 | C21 | 120.8° | 120.0° |
| C19 | C20 | H3 | 119.6° | 120.0° |
| C24 | C22 | C21 | 120.6° | 120.0° |
| C24 | C22 | BR23 | 122.1° | 120.0° |
| C22 | C24 | H5 | 120.3° | 120.0° |
| C26 | N07 | C08 | 122.3° | 118.6° |
| N07 | C26 | C27 | 120.0° | 120.0° |
| N07 | C26 | C31 | 119.8° | 120.1° |
| N07 | C08 | C10 | 116.4° | 122.8° |
| N07 | C08 | O09 | 121.4° | 118.6° |
| C10 | C08 | O09 | 122.2° | 118.7° |
| C08 | C10 | H1 | 108.7° | 109.4° |
| C08 | C10 | H2 | 108.7° | 109.4° |
| C26 | C27 | C28 | 119.5° | 119.9° |
| C27 | C26 | C31 | 120.1° | 119.9° |
| C26 | C27 | H25 | 120.2° | 120.1° |
| C27 | C28 | O32 | 122.6° | 120.0° |
| C27 | C28 | C29 | 120.5° | 120.0° |
| C28 | C27 | H25 | 120.2° | 120.1° |
| O32 | C28 | C29 | 116.8° | 120.0° |
| C26 | C31 | C30 | 120.3° | 120.0° |
| C26 | C31 | H28 | 119.9° | 120.0° |
| C28 | C29 | C30 | 119.2° | 120.1° |
| C28 | C29 | H26 | 120.4° | 120.0° |
| C20 | C21 | C22 | 119.7° | 120.0° |
| C21 | C20 | H3 | 119.6° | 120.0° |
| C20 | C21 | H4 | 120.2° | 120.0° |
| C21 | C22 | BR23 | 117.3° | 120.0° |
| C22 | C21 | H4 | 120.1° | 120.0° |
| C31 | C30 | C29 | 120.3° | 120.1° |
| C31 | C30 | H27 | 119.9° | 119.9° |
| C30 | C31 | H28 | 119.8° | 120.0° |
| C30 | C29 | H26 | 120.4° | 119.9° |
| C29 | C30 | H27 | 119.8° | 120.0° |
| H1 | C10 | H2 | 109.5° | 109.4° |
| H6 | C01 | H7 | 109.5° | 109.5° |
| H6 | C01 | H8 | 109.4° | 109.5° |
| H7 | C01 | H8 | 109.5° | 109.5° |
| H9 | C02 | H10 | 109.5° | 109.5° |
| H11 | C03 | H12 | 109.5° | 109.5° |
| H13 | C04 | H14 | 109.5° | 109.5° |
| H16 | C06 | H17 | 109.5° | 109.3° |
| H18 | C12 | H19 | 109.5° | 109.5° |
| H22 | C18 | H23 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N15 | C14 | C13 | H20 | 180.0° | 180.0° |
| C14 | N15 | C16 | N17 | 0.3° | 0.0° |
| N15 | C14 | C13 | N17 | 0.3° | 0.0° |
| N15 | C14 | C13 | C12 | 179.3° | 179.7° |
| C14 | N15 | C16 | H21 | 179.6° | 180.0° |
| C16 | N15 | C14 | C13 | 0.4° | 0.0° |
| N15 | C16 | N17 | H21 | 180.0° | 180.0° |
| N15 | C16 | N17 | C13 | 0.2° | 0.0° |
| N15 | C16 | N17 | C18 | 179.9° | 179.7° |
| C16 | N15 | C14 | H20 | 179.7° | 180.0° |
| C14 | C13 | N17 | C16 | 0.0° | 0.0° |
| C14 | C13 | N17 | C12 | 179.0° | 179.7° |
| C14 | C13 | N17 | C18 | 179.9° | 179.7° |
| C14 | C13 | C12 | N11 | 95.8° | 24.1° |
| C14 | C13 | C12 | H18 | 24.2° | 95.9° |
| C14 | C13 | C12 | H19 | 144.1° | 144.1° |
| C16 | N17 | C13 | C18 | 179.9° | 179.7° |
| C16 | N17 | C13 | C12 | 179.1° | 179.7° |
| C16 | N17 | C18 | C19 | 106.3° | 95.3° |
| C16 | N17 | C18 | H22 | 133.6° | 144.7° |
| C16 | N17 | C18 | H23 | 13.8° | 24.7° |
| C01 | C02 | C03 | H9 | 120.6° | 120.0° |
| C01 | C02 | C03 | H10 | 120.6° | 120.0° |
| C01 | C02 | C03 | C04 | 160.7° | 180.0° |
| C02 | C01 | H6 | H7 | 120.0° | 120.0° |
| C02 | C01 | H6 | H8 | 120.0° | 120.0° |
| C02 | C01 | H7 | H8 | 120.0° | 120.0° |
| C01 | C02 | H9 | H10 | 118.3° | 120.0° |
| C01 | C02 | C03 | H11 | 40.3° | 60.0° |
| C01 | C02 | C03 | H12 | 79.1° | 60.0° |
| C02 | C03 | C04 | H11 | 120.3° | 120.0° |
| C02 | C03 | C04 | H12 | 120.3° | 120.0° |
| C02 | C03 | C04 | C05 | 157.7° | 175.0° |
| C03 | C02 | C01 | H6 | 180.0° | 60.0° |
| C03 | C02 | C01 | H7 | 60.0° | 60.0° |
| C03 | C02 | C01 | H8 | 60.0° | 180.0° |
| C03 | C02 | H9 | H10 | 118.2° | 120.0° |
| C02 | C03 | H11 | H12 | 119.1° | 120.0° |
| C02 | C03 | C04 | H13 | 37.2° | 55.0° |
| C02 | C03 | C04 | H14 | 81.8° | 65.0° |
| C03 | C04 | C05 | H13 | 120.5° | 120.0° |
| C03 | C04 | C05 | H14 | 120.5° | 120.0° |
| C03 | C04 | C05 | C06 | 57.7° | 177.4° |
| C03 | C04 | C05 | N11 | 178.3° | 63.3° |
| C04 | C03 | C02 | H9 | 78.8° | 60.0° |
| C04 | C03 | C02 | H10 | 40.1° | 60.0° |
| C04 | C03 | H11 | H12 | 119.2° | 120.0° |
| C03 | C04 | H13 | H14 | 118.5° | 120.0° |
| C03 | C04 | C05 | H15 | 58.5° | 57.1° |
| N17 | C13 | C12 | N11 | 83.0° | 155.5° |
| C13 | N17 | C18 | C19 | 73.6° | 85.0° |
| N17 | C13 | C12 | H18 | 157.0° | 84.5° |
| N17 | C13 | C12 | H19 | 37.0° | 35.5° |
| N17 | C13 | C14 | H20 | 179.8° | 180.0° |
| C13 | N17 | C16 | H21 | 179.8° | 180.0° |
| C13 | N17 | C18 | H22 | 46.5° | 35.0° |
| C13 | N17 | C18 | H23 | 166.3° | 155.0° |
| C12 | C13 | N17 | C18 | 0.9° | 0.0° |
| C13 | C12 | N11 | C05 | 77.4° | 163.8° |
| C13 | C12 | N11 | H18 | 120.0° | 119.9° |
| C13 | C12 | N11 | H19 | 120.0° | 120.0° |
| C13 | C12 | N11 | C10 | 154.7° | 73.3° |
| C13 | C12 | H18 | H19 | 119.9° | 120.0° |
| C12 | C13 | C14 | H20 | 0.8° | 0.3° |
| N17 | C18 | C19 | H22 | 120.1° | 120.0° |
| N17 | C18 | C19 | H23 | 120.1° | 120.0° |
| N17 | C18 | C19 | C25 | 23.7° | 91.3° |
| N17 | C18 | C19 | C20 | 156.1° | 88.2° |
| C18 | N17 | C16 | H21 | 0.1° | 0.3° |
| N17 | C18 | H22 | H23 | 119.7° | 120.0° |
| C04 | C05 | C06 | N11 | 122.8° | 119.8° |
| C04 | C05 | C06 | H15 | 115.1° | 120.3° |
| C04 | C05 | N11 | H15 | 118.1° | 120.3° |
| C04 | C05 | N11 | C12 | 71.1° | 65.4° |
| C04 | C05 | C06 | N07 | 85.3° | 170.1° |
| C04 | C05 | N11 | C10 | 56.0° | 171.2° |
| C05 | C04 | C03 | H11 | 82.0° | 65.0° |
| C05 | C04 | C03 | H12 | 37.5° | 55.0° |
| C05 | C04 | H13 | H14 | 118.5° | 119.9° |
| C04 | C05 | C06 | H16 | 153.7° | 69.7° |
| C04 | C05 | C06 | H17 | 35.6° | 49.9° |
| C06 | C05 | N11 | H15 | 121.4° | 119.9° |
| C06 | C05 | N11 | C12 | 168.4° | 54.4° |
| C05 | C06 | N07 | H16 | 121.0° | 120.2° |
| C05 | C06 | N07 | H17 | 121.0° | 120.2° |
| C06 | C05 | N11 | C10 | 64.5° | 69.0° |
| C05 | C06 | N07 | C26 | 173.4° | 161.8° |
| C05 | C06 | N07 | C08 | 6.3° | 18.2° |
| C06 | C05 | C04 | H13 | 62.8° | 57.4° |
| C06 | C05 | C04 | H14 | 178.1° | 62.5° |
| C05 | C06 | H16 | H17 | 116.9° | 119.7° |
| C05 | N11 | C12 | C10 | 127.9° | 122.9° |
| N11 | C05 | C06 | N07 | 37.5° | 50.3° |
| C05 | N11 | C10 | C08 | 55.2° | 50.3° |
| C05 | N11 | C10 | H1 | 65.2° | 69.9° |
| C05 | N11 | C10 | H2 | 175.7° | 170.4° |
| N11 | C05 | C04 | H13 | 61.3° | 176.7° |
| N11 | C05 | C04 | H14 | 57.8° | 56.7° |
| N11 | C05 | C06 | H16 | 83.5° | 170.5° |
| N11 | C05 | C06 | H17 | 158.4° | 69.8° |
| C05 | N11 | C12 | H18 | 42.6° | 43.9° |
| C05 | N11 | C12 | H19 | 162.6° | 76.2° |
| F36 | C33 | F35 | F34 | 122.2° | 120.0° |
| F36 | C33 | F35 | O32 | 119.8° | 120.0° |
| F36 | C33 | F34 | O32 | 117.3° | 120.0° |
| F36 | C33 | O32 | C28 | 62.4° | 180.0° |
| C12 | N11 | C10 | C08 | 177.6° | 73.1° |
| C12 | N11 | C10 | H1 | 62.0° | 166.7° |
| C12 | N11 | C10 | H2 | 57.1° | 47.0° |
| C12 | N11 | C05 | H15 | 47.0° | 174.2° |
| N11 | C12 | H18 | H19 | 120.0° | 120.0° |
| C06 | N07 | C26 | C08 | 179.7° | 180.0° |
| C06 | N07 | C08 | C10 | 1.1° | 1.7° |
| C06 | N07 | C26 | C27 | 62.7° | 112.2° |
| C06 | N07 | C26 | C31 | 115.5° | 67.5° |
| C06 | N07 | C08 | O09 | 179.0° | 178.3° |
| N07 | C06 | C05 | H15 | 159.5° | 69.7° |
| N07 | C06 | H16 | H17 | 116.9° | 119.7° |
| C18 | C19 | C25 | C20 | 179.8° | 179.5° |
| C18 | C19 | C25 | C24 | 179.5° | 180.0° |
| C18 | C19 | C20 | C21 | 179.8° | 180.0° |
| C18 | C19 | C20 | H3 | 0.2° | 0.3° |
| C19 | C18 | H22 | H23 | 119.7° | 120.0° |
| C18 | C19 | C25 | H24 | 0.5° | 0.1° |
| N11 | C10 | C08 | N07 | 22.4° | 17.2° |
| N11 | C10 | C08 | H1 | 120.4° | 120.1° |
| N11 | C10 | C08 | H2 | 120.5° | 120.1° |
| N11 | C10 | C08 | O09 | 155.5° | 162.8° |
| N11 | C10 | H1 | H2 | 118.6° | 119.7° |
| C10 | N11 | C05 | H15 | 174.1° | 50.9° |
| C10 | N11 | C12 | H18 | 85.4° | 166.8° |
| C10 | N11 | C12 | H19 | 34.7° | 46.8° |
| C19 | C25 | C24 | H24 | 180.0° | 179.9° |
| C19 | C25 | C24 | C22 | 0.3° | 0.2° |
| C25 | C19 | C20 | C21 | 0.0° | 0.6° |
| C25 | C19 | C20 | H3 | 180.0° | 179.8° |
| C19 | C25 | C24 | H5 | 179.8° | 179.8° |
| C25 | C19 | C18 | H22 | 143.8° | 28.7° |
| C25 | C19 | C18 | H23 | 96.4° | 148.8° |
| C24 | C25 | C19 | C20 | 0.2° | 0.5° |
| C25 | C24 | C22 | H5 | 180.0° | 180.0° |
| C25 | C24 | C22 | C21 | 0.1° | 0.0° |
| C25 | C24 | C22 | BR23 | 179.9° | 180.0° |
| F35 | C33 | F34 | O32 | 119.5° | 120.0° |
| F35 | C33 | O32 | C28 | 60.0° | 60.0° |
| F34 | C33 | O32 | C28 | 178.8° | 60.0° |
| C33 | O32 | C28 | C27 | 32.7° | 180.0° |
| C33 | O32 | C28 | C29 | 149.2° | 0.0° |
| C19 | C20 | C21 | H3 | 180.0° | 179.6° |
| C19 | C20 | C21 | C22 | 0.2° | 0.3° |
| C19 | C20 | C21 | H4 | 179.8° | 179.7° |
| C20 | C19 | C18 | H22 | 36.0° | 151.8° |
| C20 | C19 | C18 | H23 | 83.8° | 31.8° |
| C20 | C19 | C25 | H24 | 179.8° | 179.4° |
| C24 | C22 | C21 | C20 | 0.2° | 0.0° |
| C24 | C22 | C21 | BR23 | 179.9° | 180.0° |
| C24 | C22 | C21 | H4 | 179.9° | 180.0° |
| C22 | C24 | C25 | H24 | 179.7° | 179.6° |
| C26 | N07 | C08 | C10 | 179.2° | 178.3° |
| N07 | C26 | C27 | C31 | 178.1° | 179.7° |
| N07 | C26 | C27 | C28 | 178.6° | 179.7° |
| C26 | N07 | C08 | O09 | 1.3° | 1.7° |
| N07 | C26 | C31 | C30 | 178.9° | 179.7° |
| C26 | N07 | C06 | H16 | 65.6° | 41.6° |
| C26 | N07 | C06 | H17 | 52.4° | 78.0° |
| N07 | C26 | C27 | H25 | 1.4° | 0.3° |
| N07 | C26 | C31 | H28 | 1.1° | 0.2° |
| N07 | C08 | C10 | O09 | 177.9° | 179.9° |
| C08 | N07 | C26 | C27 | 117.6° | 67.8° |
| C08 | N07 | C26 | C31 | 64.3° | 112.5° |
| N07 | C08 | C10 | H1 | 98.0° | 102.9° |
| N07 | C08 | C10 | H2 | 142.9° | 137.3° |
| C08 | N07 | C06 | H16 | 114.7° | 138.4° |
| C08 | N07 | C06 | H17 | 127.3° | 102.0° |
| C08 | C10 | H1 | H2 | 118.6° | 119.8° |
| C26 | C27 | C28 | H25 | 180.0° | 179.9° |
| C26 | C27 | C28 | O32 | 178.3° | 180.0° |
| C26 | C27 | C28 | C29 | 0.4° | 0.0° |
| C27 | C26 | C31 | C30 | 0.8° | 0.0° |
| C27 | C26 | C31 | H28 | 179.2° | 179.9° |
| C27 | C28 | O32 | C29 | 178.1° | 180.0° |
| C28 | C27 | C26 | C31 | 0.5° | 0.0° |
| C27 | C28 | C29 | C30 | 0.8° | 0.0° |
| C27 | C28 | C29 | H26 | 179.2° | 180.0° |
| O32 | C28 | C29 | C30 | 178.9° | 180.0° |
| O32 | C28 | C27 | H25 | 1.7° | 0.0° |
| O32 | C28 | C29 | H26 | 1.1° | 0.1° |
| C26 | C31 | C30 | H28 | 180.0° | 179.9° |
| C26 | C31 | C30 | C29 | 0.4° | 0.0° |
| C31 | C26 | C27 | H25 | 179.5° | 180.0° |
| C26 | C31 | C30 | H27 | 179.6° | 180.0° |
| C28 | C29 | C30 | C31 | 0.4° | 0.0° |
| C28 | C29 | C30 | H26 | 180.0° | 179.9° |
| C29 | C28 | C27 | H25 | 179.7° | 179.9° |
| C28 | C29 | C30 | H27 | 179.6° | 179.9° |
| O09 | C08 | C10 | H1 | 84.1° | 77.0° |
| O09 | C08 | C10 | H2 | 35.1° | 42.8° |
| C20 | C21 | C22 | H4 | 180.0° | 179.9° |
| C20 | C21 | C22 | BR23 | 179.9° | 180.0° |
| C22 | C21 | C20 | H3 | 179.8° | 180.0° |
| C21 | C22 | C24 | H5 | 179.9° | 180.0° |
| BR23 | C22 | C21 | H4 | 0.1° | 0.0° |
| BR23 | C22 | C24 | H5 | 0.1° | 0.0° |
| C31 | C30 | C29 | H27 | 180.0° | 180.0° |
| C31 | C30 | C29 | H26 | 179.6° | 180.0° |
| C29 | C30 | C31 | H28 | 179.6° | 179.9° |
| H3 | C20 | C21 | H4 | 0.2° | 0.1° |
| H5 | C24 | C25 | H24 | 0.2° | 0.3° |
| H6 | C01 | H7 | H8 | 119.9° | 120.0° |
| H6 | C01 | C02 | H9 | 59.4° | 60.0° |
| H6 | C01 | C02 | H10 | 59.4° | 180.0° |
| H7 | C01 | C02 | H9 | 60.6° | 180.0° |
| H7 | C01 | C02 | H10 | 179.5° | 60.0° |
| H8 | C01 | C02 | H9 | 179.4° | 60.0° |
| H8 | C01 | C02 | H10 | 60.5° | 60.0° |
| H9 | C02 | C03 | H11 | 160.9° | 180.0° |
| H9 | C02 | C03 | H12 | 41.5° | 60.0° |
| H10 | C02 | C03 | H11 | 80.2° | 60.0° |
| H10 | C02 | C03 | H12 | 160.3° | 180.0° |
| H11 | C03 | C04 | H13 | 157.5° | 175.0° |
| H11 | C03 | C04 | H14 | 38.5° | 55.0° |
| H12 | C03 | C04 | H13 | 83.0° | 65.0° |
| H12 | C03 | C04 | H14 | 157.9° | 175.0° |
| H13 | C04 | C05 | H15 | 179.0° | 62.9° |
| H14 | C04 | C05 | H15 | 62.0° | 177.2° |
| H15 | C05 | C06 | H16 | 38.6° | 50.5° |
| H15 | C05 | C06 | H17 | 79.5° | 170.2° |
| H26 | C29 | C30 | H27 | 0.4° | 0.0° |
| H27 | C30 | C31 | H28 | 0.4° | 0.0° |
