A1A07
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O10 | C09 | doub | 1.21Å | 1.22Å | |
| C08 | N07 | sing | 1.47Å | 1.48Å | |
| C08 | C09 | sing | 1.51Å | 1.61Å | |
| N07 | C05 | sing | 1.35Å | 1.43Å | |
| C09 | N11 | sing | 1.35Å | 1.45Å | |
| F03 | C02 | sing | 1.40Å | 1.36Å | |
| F04 | C02 | sing | 1.40Å | 1.33Å | |
| C40 | C39 | doub | 1.38Å | 1.41Å | Aromatic |
| C40 | C35 | sing | 1.38Å | 1.41Å | Aromatic |
| C39 | C38 | sing | 1.38Å | 1.40Å | Aromatic |
| C05 | C02 | sing | 1.51Å | 1.62Å | |
| C05 | O06 | doub | 1.21Å | 1.21Å | |
| C34 | C35 | sing | 1.51Å | 1.52Å | |
| C34 | C12 | sing | 1.53Å | 1.61Å | |
| C02 | F01 | sing | 1.40Å | 1.32Å | |
| C31 | C32 | doub | 1.38Å | 1.40Å | Aromatic |
| C31 | N30 | sing | 1.32Å | 1.36Å | Aromatic |
| C32 | C33 | sing | 1.39Å | 1.41Å | Aromatic |
| C35 | C36 | doub | 1.38Å | 1.41Å | Aromatic |
| N11 | C12 | sing | 1.46Å | 1.53Å | |
| C38 | C37 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.53Å | 1.59Å | |
| N30 | C29 | doub | 1.32Å | 1.36Å | Aromatic |
| C36 | C37 | sing | 1.38Å | 1.41Å | Aromatic |
| C33 | C28 | doub | 1.39Å | 1.42Å | Aromatic |
| C13 | S14 | sing | 1.81Å | 1.90Å | |
| C29 | C28 | sing | 1.38Å | 1.41Å | Aromatic |
| C28 | C27 | sing | 1.51Å | 1.53Å | |
| S14 | C15 | sing | 1.81Å | 1.91Å | |
| C15 | C16 | sing | 1.53Å | 1.55Å | |
| C15 | C23 | sing | 1.51Å | 1.59Å | |
| C27 | C26 | sing | 1.53Å | 1.59Å | |
| C26 | N25 | sing | 1.46Å | 1.51Å | |
| C16 | C17 | sing | 1.51Å | 1.53Å | |
| C23 | N25 | sing | 1.35Å | 1.43Å | |
| C23 | O24 | doub | 1.21Å | 1.23Å | |
| C17 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | C22 | sing | 1.38Å | 1.42Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C22 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H4 | sing | 1.08Å | 1.08Å | |
| C21 | H5 | sing | 1.08Å | 1.08Å | |
| C22 | H6 | sing | 1.08Å | 1.08Å | |
| C26 | H7 | sing | 1.09Å | 1.10Å | |
| C08 | H8 | sing | 1.09Å | 1.10Å | |
| C08 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.08Å | 1.08Å | |
| C19 | H14 | sing | 1.08Å | 1.08Å | |
| C27 | H15 | sing | 1.09Å | 1.10Å | |
| C27 | H16 | sing | 1.09Å | 1.10Å | |
| C29 | H17 | sing | 1.08Å | 1.08Å | |
| C31 | H18 | sing | 1.08Å | 1.08Å | |
| C32 | H19 | sing | 1.08Å | 1.08Å | |
| C33 | H20 | sing | 1.08Å | 1.08Å | |
| C34 | H21 | sing | 1.09Å | 1.10Å | |
| C34 | H22 | sing | 1.09Å | 1.10Å | |
| C36 | H23 | sing | 1.08Å | 1.08Å | |
| C37 | H24 | sing | 1.08Å | 1.08Å | |
| C38 | H25 | sing | 1.08Å | 1.08Å | |
| C39 | H26 | sing | 1.08Å | 1.08Å | |
| C40 | H27 | sing | 1.08Å | 1.08Å | |
| N07 | H28 | sing | 0.97Å | 1.00Å | |
| N11 | H29 | sing | 0.97Å | 1.00Å | |
| C26 | H30 | sing | 1.09Å | 1.10Å | |
| N25 | H31 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O10 | C09 | C08 | 116.8° | 120.0° |
| O10 | C09 | N11 | 120.5° | 120.0° |
| N07 | C08 | C09 | 118.3° | 109.5° |
| C08 | N07 | C05 | 123.5° | 120.0° |
| N07 | C08 | H8 | 107.2° | 109.5° |
| N07 | C08 | H9 | 107.2° | 109.4° |
| C08 | N07 | H28 | 118.3° | 120.0° |
| C08 | C09 | N11 | 122.7° | 120.0° |
| C09 | C08 | H8 | 107.2° | 109.5° |
| C09 | C08 | H9 | 107.2° | 109.5° |
| N07 | C05 | C02 | 121.7° | 120.0° |
| N07 | C05 | O06 | 125.7° | 120.0° |
| C05 | N07 | H28 | 118.2° | 120.0° |
| C09 | N11 | C12 | 129.3° | 120.0° |
| C09 | N11 | H29 | 115.3° | 119.9° |
| F03 | C02 | F04 | 106.2° | 109.5° |
| F03 | C02 | C05 | 112.7° | 109.4° |
| F03 | C02 | F01 | 106.4° | 109.5° |
| F04 | C02 | C05 | 113.3° | 109.4° |
| F04 | C02 | F01 | 107.1° | 109.5° |
| C39 | C40 | C35 | 122.4° | 120.0° |
| C40 | C39 | C38 | 120.9° | 120.0° |
| C40 | C39 | H26 | 119.5° | 120.0° |
| C39 | C40 | H27 | 118.8° | 120.0° |
| C40 | C35 | C34 | 121.9° | 120.0° |
| C40 | C35 | C36 | 115.7° | 120.0° |
| C35 | C40 | H27 | 118.8° | 120.0° |
| C39 | C38 | C37 | 117.9° | 120.0° |
| C39 | C38 | H25 | 121.1° | 120.0° |
| C38 | C39 | H26 | 119.5° | 120.0° |
| C02 | C05 | O06 | 112.6° | 120.0° |
| C05 | C02 | F01 | 110.7° | 109.4° |
| C35 | C34 | C12 | 117.4° | 109.5° |
| C34 | C35 | C36 | 122.4° | 120.0° |
| C35 | C34 | H21 | 107.5° | 109.5° |
| C35 | C34 | H22 | 107.5° | 109.5° |
| C34 | C12 | N11 | 117.7° | 109.5° |
| C34 | C12 | C13 | 112.4° | 109.5° |
| C34 | C12 | H10 | 105.5° | 109.5° |
| C12 | C34 | H21 | 107.5° | 109.4° |
| C12 | C34 | H22 | 107.5° | 109.5° |
| C32 | C31 | N30 | 120.5° | 120.8° |
| C31 | C32 | C33 | 118.9° | 119.2° |
| C32 | C31 | H18 | 119.7° | 119.6° |
| C31 | C32 | H19 | 120.5° | 120.5° |
| C31 | N30 | C29 | 119.4° | 121.7° |
| N30 | C31 | H18 | 119.7° | 119.6° |
| C32 | C33 | C28 | 122.2° | 118.4° |
| C33 | C32 | H19 | 120.6° | 120.4° |
| C32 | C33 | H20 | 118.9° | 120.8° |
| C35 | C36 | C37 | 122.2° | 120.0° |
| C35 | C36 | H23 | 118.9° | 120.0° |
| N11 | C12 | C13 | 108.4° | 109.5° |
| N11 | C12 | H10 | 106.3° | 109.4° |
| C12 | N11 | H29 | 115.4° | 120.0° |
| C38 | C37 | C36 | 120.9° | 120.0° |
| C38 | C37 | H24 | 119.6° | 120.0° |
| C37 | C38 | H25 | 121.0° | 120.0° |
| C12 | C13 | S14 | 112.1° | 109.5° |
| C12 | C13 | H1 | 108.8° | 109.5° |
| C12 | C13 | H2 | 108.8° | 109.5° |
| C13 | C12 | H10 | 105.7° | 109.5° |
| N30 | C29 | C28 | 125.5° | 120.8° |
| N30 | C29 | H17 | 117.3° | 119.6° |
| C37 | C36 | H23 | 118.9° | 120.0° |
| C36 | C37 | H24 | 119.5° | 120.0° |
| C33 | C28 | C29 | 113.4° | 119.2° |
| C33 | C28 | C27 | 124.6° | 120.4° |
| C28 | C33 | H20 | 118.9° | 120.8° |
| C13 | S14 | C15 | 114.8° | 103.0° |
| S14 | C13 | H1 | 108.8° | 109.5° |
| S14 | C13 | H2 | 108.8° | 109.5° |
| C29 | C28 | C27 | 121.9° | 120.4° |
| C28 | C29 | H17 | 117.3° | 119.6° |
| C28 | C27 | C26 | 117.2° | 109.5° |
| C28 | C27 | H15 | 107.5° | 109.5° |
| C28 | C27 | H16 | 107.5° | 109.5° |
| S14 | C15 | C16 | 112.3° | 109.5° |
| S14 | C15 | C23 | 108.8° | 109.5° |
| S14 | C15 | H3 | 104.6° | 109.5° |
| C16 | C15 | C23 | 114.8° | 109.5° |
| C15 | C16 | C17 | 119.2° | 109.5° |
| C16 | C15 | H3 | 108.1° | 109.5° |
| C15 | C16 | H11 | 107.0° | 109.4° |
| C15 | C16 | H12 | 107.0° | 109.5° |
| C15 | C23 | N25 | 126.7° | 120.0° |
| C15 | C23 | O24 | 115.0° | 120.0° |
| C23 | C15 | H3 | 107.7° | 109.4° |
| C27 | C26 | N25 | 116.1° | 109.5° |
| C27 | C26 | H7 | 107.8° | 109.5° |
| C26 | C27 | H15 | 107.5° | 109.5° |
| C26 | C27 | H16 | 107.5° | 109.5° |
| C27 | C26 | H30 | 107.8° | 109.5° |
| C26 | N25 | C23 | 126.4° | 120.0° |
| N25 | C26 | H7 | 107.8° | 109.4° |
| N25 | C26 | H30 | 107.8° | 109.5° |
| C26 | N25 | H31 | 116.8° | 120.0° |
| C16 | C17 | C18 | 122.1° | 120.0° |
| C16 | C17 | C22 | 122.1° | 120.0° |
| C17 | C16 | H11 | 106.9° | 109.5° |
| C17 | C16 | H12 | 107.0° | 109.5° |
| N25 | C23 | O24 | 118.3° | 120.0° |
| C23 | N25 | H31 | 116.8° | 120.0° |
| C18 | C17 | C22 | 115.8° | 120.0° |
| C17 | C18 | C19 | 122.3° | 120.0° |
| C17 | C18 | H13 | 118.9° | 120.0° |
| C17 | C22 | C21 | 121.9° | 120.0° |
| C17 | C22 | H6 | 119.0° | 120.0° |
| C18 | C19 | C20 | 121.3° | 120.0° |
| C19 | C18 | H13 | 118.9° | 119.9° |
| C18 | C19 | H14 | 119.4° | 120.0° |
| C22 | C21 | C20 | 121.1° | 120.0° |
| C22 | C21 | H5 | 119.5° | 120.1° |
| C21 | C22 | H6 | 119.0° | 120.0° |
| C19 | C20 | C21 | 117.6° | 120.0° |
| C19 | C20 | H4 | 121.2° | 120.1° |
| C20 | C19 | H14 | 119.4° | 120.0° |
| C21 | C20 | H4 | 121.2° | 119.9° |
| C20 | C21 | H5 | 119.5° | 120.0° |
| H1 | C13 | H2 | 109.5° | 109.4° |
| H7 | C26 | H30 | 109.5° | 109.4° |
| H8 | C08 | H9 | 109.5° | 109.5° |
| H11 | C16 | H12 | 109.5° | 109.5° |
| H15 | C27 | H16 | 109.5° | 109.5° |
| H21 | C34 | H22 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O10 | C09 | C08 | N07 | 68.6° | 0.0° |
| O10 | C09 | C08 | N11 | 179.8° | 180.0° |
| O10 | C09 | N11 | C12 | 1.2° | 0.0° |
| O10 | C09 | C08 | H8 | 170.2° | 120.0° |
| O10 | C09 | C08 | H9 | 52.7° | 120.0° |
| O10 | C09 | N11 | H29 | 178.7° | 180.0° |
| N07 | C08 | C09 | H8 | 121.3° | 120.0° |
| N07 | C08 | C09 | H9 | 121.3° | 120.0° |
| C08 | N07 | C05 | H28 | 180.0° | 180.0° |
| N07 | C08 | C09 | N11 | 111.3° | 180.0° |
| C08 | N07 | C05 | C02 | 179.7° | 180.0° |
| C08 | N07 | C05 | O06 | 1.0° | 0.0° |
| N07 | C08 | H8 | H9 | 116.0° | 120.0° |
| C09 | C08 | N07 | C05 | 27.3° | 180.0° |
| C08 | C09 | N11 | C12 | 178.6° | 180.0° |
| C09 | C08 | H8 | H9 | 116.0° | 120.0° |
| C09 | C08 | N07 | H28 | 152.7° | 0.0° |
| C08 | C09 | N11 | H29 | 1.5° | 0.0° |
| N07 | C05 | C02 | F03 | 20.8° | 60.0° |
| N07 | C05 | C02 | F04 | 99.8° | 59.9° |
| N07 | C05 | C02 | O06 | 178.9° | 180.0° |
| N07 | C05 | C02 | F01 | 139.8° | 180.0° |
| C05 | N07 | C08 | H8 | 94.0° | 60.0° |
| C05 | N07 | C08 | H9 | 148.6° | 60.0° |
| C09 | N11 | C12 | C34 | 25.2° | 85.0° |
| C09 | N11 | C12 | H29 | 180.0° | 180.0° |
| C09 | N11 | C12 | C13 | 103.7° | 155.0° |
| N11 | C09 | C08 | H8 | 10.0° | 60.0° |
| N11 | C09 | C08 | H9 | 127.5° | 60.0° |
| C09 | N11 | C12 | H10 | 143.1° | 35.0° |
| F03 | C02 | F04 | C05 | 124.2° | 119.9° |
| F03 | C02 | F04 | F01 | 113.4° | 120.1° |
| F03 | C02 | C05 | F01 | 119.0° | 120.0° |
| F03 | C02 | C05 | O06 | 158.1° | 120.0° |
| F04 | C02 | C05 | F01 | 120.4° | 120.0° |
| F04 | C02 | C05 | O06 | 81.3° | 120.0° |
| C39 | C40 | C35 | H27 | 180.0° | 179.4° |
| C40 | C39 | C38 | H26 | 180.0° | 179.8° |
| C39 | C40 | C35 | C34 | 179.7° | 179.7° |
| C39 | C40 | C35 | C36 | 0.2° | 0.6° |
| C40 | C39 | C38 | C37 | 0.1° | 0.3° |
| C40 | C39 | C38 | H25 | 179.9° | 179.7° |
| C35 | C40 | C39 | C38 | 0.2° | 0.6° |
| C40 | C35 | C34 | C36 | 179.5° | 179.7° |
| C40 | C35 | C34 | C12 | 102.7° | 90.3° |
| C40 | C35 | C36 | C37 | 0.2° | 0.3° |
| C40 | C35 | C34 | H21 | 136.1° | 149.7° |
| C40 | C35 | C34 | H22 | 18.4° | 29.7° |
| C40 | C35 | C36 | H23 | 179.8° | 179.7° |
| C35 | C40 | C39 | H26 | 179.8° | 179.6° |
| C39 | C38 | C37 | H25 | 180.0° | 180.0° |
| C39 | C38 | C37 | C36 | 0.1° | 0.0° |
| C39 | C38 | C37 | H24 | 179.9° | 180.0° |
| C38 | C39 | C40 | H27 | 179.8° | 179.9° |
| C02 | C05 | N07 | H28 | 0.3° | 0.1° |
| O06 | C05 | C02 | F01 | 39.1° | 0.0° |
| O06 | C05 | N07 | H28 | 179.0° | 180.0° |
| C35 | C34 | C12 | H21 | 121.1° | 120.0° |
| C35 | C34 | C12 | H22 | 121.2° | 120.0° |
| C35 | C34 | C12 | N11 | 152.1° | 65.0° |
| C35 | C34 | C12 | C13 | 80.9° | 175.0° |
| C34 | C35 | C36 | C37 | 179.7° | 180.0° |
| C35 | C34 | C12 | H10 | 33.7° | 55.0° |
| C35 | C34 | H21 | H22 | 116.4° | 120.0° |
| C34 | C35 | C36 | H23 | 0.3° | 0.0° |
| C34 | C35 | C40 | H27 | 0.3° | 0.3° |
| C12 | C34 | C35 | C36 | 76.8° | 90.0° |
| C34 | C12 | N11 | C13 | 128.9° | 120.1° |
| C34 | C12 | N11 | H10 | 117.9° | 120.0° |
| C34 | C12 | C13 | H10 | 114.6° | 120.0° |
| C34 | C12 | C13 | S14 | 149.3° | 175.0° |
| C34 | C12 | C13 | H1 | 28.9° | 55.0° |
| C34 | C12 | C13 | H2 | 90.3° | 65.0° |
| C12 | C34 | H21 | H22 | 116.4° | 119.9° |
| C34 | C12 | N11 | H29 | 154.8° | 95.0° |
| C32 | C31 | N30 | H18 | 180.0° | 179.8° |
| C31 | C32 | C33 | H19 | 180.0° | 179.8° |
| C32 | C31 | N30 | C29 | 0.1° | 0.3° |
| C31 | C32 | C33 | C28 | 0.0° | 0.0° |
| C31 | C32 | C33 | H20 | 180.0° | 180.0° |
| N30 | C31 | C32 | C33 | 0.2° | 0.2° |
| C31 | N30 | C29 | C28 | 0.1° | 0.0° |
| C31 | N30 | C29 | H17 | 179.9° | 180.0° |
| N30 | C31 | C32 | H19 | 179.9° | 180.0° |
| C32 | C33 | C28 | H20 | 180.0° | 180.0° |
| C32 | C33 | C28 | C29 | 0.2° | 0.2° |
| C32 | C33 | C28 | C27 | 179.7° | 180.0° |
| C33 | C32 | C31 | H18 | 179.9° | 180.0° |
| C35 | C36 | C37 | C38 | 0.1° | 0.0° |
| C35 | C36 | C37 | H23 | 180.0° | 180.0° |
| C36 | C35 | C34 | H21 | 44.4° | 30.0° |
| C36 | C35 | C34 | H22 | 162.1° | 150.0° |
| C35 | C36 | C37 | H24 | 179.9° | 180.0° |
| C36 | C35 | C40 | H27 | 179.8° | 179.9° |
| N11 | C12 | C13 | H10 | 113.6° | 119.9° |
| N11 | C12 | C13 | S14 | 78.8° | 65.0° |
| N11 | C12 | C13 | H1 | 160.8° | 175.0° |
| N11 | C12 | C13 | H2 | 41.5° | 55.0° |
| N11 | C12 | C34 | H21 | 86.8° | 55.1° |
| N11 | C12 | C34 | H22 | 30.9° | 175.0° |
| C38 | C37 | C36 | H24 | 180.0° | 180.0° |
| C38 | C37 | C36 | H23 | 179.9° | 180.0° |
| C37 | C38 | C39 | H26 | 179.9° | 179.9° |
| C12 | C13 | S14 | H1 | 120.4° | 120.0° |
| C12 | C13 | S14 | H2 | 120.4° | 120.0° |
| C12 | C13 | S14 | C15 | 43.8° | 174.9° |
| C12 | C13 | H1 | H2 | 118.8° | 120.0° |
| C13 | C12 | C34 | H21 | 40.2° | 65.0° |
| C13 | C12 | C34 | H22 | 157.9° | 55.0° |
| C13 | C12 | N11 | H29 | 76.3° | 25.0° |
| N30 | C29 | C28 | C33 | 0.3° | 0.2° |
| N30 | C29 | C28 | H17 | 180.0° | 180.0° |
| N30 | C29 | C28 | C27 | 179.8° | 180.0° |
| C29 | N30 | C31 | H18 | 179.9° | 180.0° |
| C36 | C37 | C38 | H25 | 179.9° | 180.0° |
| C33 | C28 | C29 | C27 | 179.5° | 179.7° |
| C33 | C28 | C27 | C26 | 51.7° | 90.3° |
| C33 | C28 | C27 | H15 | 69.4° | 149.7° |
| C33 | C28 | C27 | H16 | 172.8° | 29.7° |
| C33 | C28 | C29 | H17 | 179.7° | 179.7° |
| C28 | C33 | C32 | H19 | 180.0° | 179.8° |
| C13 | S14 | C15 | C16 | 150.5° | 68.1° |
| C13 | S14 | C15 | C23 | 81.3° | 171.9° |
| S14 | C13 | H1 | H2 | 118.8° | 120.0° |
| C13 | S14 | C15 | H3 | 33.5° | 52.0° |
| S14 | C13 | C12 | H10 | 34.7° | 55.0° |
| C29 | C28 | C27 | C26 | 127.8° | 90.0° |
| C29 | C28 | C27 | H15 | 111.2° | 30.0° |
| C29 | C28 | C27 | H16 | 6.7° | 150.0° |
| C29 | C28 | C33 | H20 | 179.8° | 179.8° |
| C28 | C27 | C26 | H15 | 121.1° | 120.0° |
| C28 | C27 | C26 | H16 | 121.1° | 120.0° |
| C28 | C27 | C26 | N25 | 108.6° | 180.0° |
| C28 | C27 | C26 | H7 | 12.4° | 60.0° |
| C28 | C27 | H15 | H16 | 116.5° | 120.0° |
| C27 | C28 | C29 | H17 | 0.2° | 0.0° |
| C27 | C28 | C33 | H20 | 0.3° | 0.0° |
| C28 | C27 | C26 | H30 | 130.4° | 60.0° |
| S14 | C15 | C16 | C23 | 124.9° | 120.0° |
| S14 | C15 | C16 | H3 | 114.9° | 120.0° |
| S14 | C15 | C23 | H3 | 112.9° | 120.0° |
| S14 | C15 | C16 | C17 | 97.9° | 174.2° |
| S14 | C15 | C23 | N25 | 162.7° | 155.0° |
| S14 | C15 | C23 | O24 | 17.4° | 25.0° |
| C15 | S14 | C13 | H1 | 76.5° | 65.1° |
| C15 | S14 | C13 | H2 | 164.2° | 54.9° |
| S14 | C15 | C16 | H11 | 23.5° | 65.8° |
| S14 | C15 | C16 | H12 | 140.7° | 54.2° |
| C16 | C15 | C23 | H3 | 120.4° | 120.0° |
| C15 | C16 | C17 | H11 | 121.4° | 120.0° |
| C15 | C16 | C17 | H12 | 121.4° | 120.0° |
| C16 | C15 | C23 | N25 | 70.6° | 85.0° |
| C16 | C15 | C23 | O24 | 109.3° | 95.0° |
| C15 | C16 | C17 | C18 | 132.7° | 96.4° |
| C15 | C16 | C17 | C22 | 47.3° | 83.8° |
| C15 | C16 | H11 | H12 | 115.6° | 120.0° |
| C15 | C23 | N25 | C26 | 0.2° | 180.0° |
| C23 | C15 | C16 | C17 | 27.0° | 65.8° |
| C15 | C23 | N25 | O24 | 179.8° | 180.0° |
| C23 | C15 | C16 | H11 | 148.3° | 54.2° |
| C23 | C15 | C16 | H12 | 94.4° | 174.2° |
| C15 | C23 | N25 | H31 | 179.8° | 0.0° |
| C27 | C26 | N25 | H7 | 121.0° | 120.0° |
| C27 | C26 | N25 | H30 | 121.0° | 120.0° |
| C27 | C26 | N25 | C23 | 171.8° | 180.0° |
| C27 | C26 | H7 | H30 | 117.0° | 120.0° |
| C26 | C27 | H15 | H16 | 116.5° | 120.0° |
| C27 | C26 | N25 | H31 | 8.2° | 0.1° |
| C26 | N25 | C23 | H31 | 180.0° | 180.0° |
| C26 | N25 | C23 | O24 | 180.0° | 0.0° |
| N25 | C26 | H7 | H30 | 116.9° | 120.0° |
| N25 | C26 | C27 | H15 | 130.3° | 60.0° |
| N25 | C26 | C27 | H16 | 12.5° | 60.0° |
| C16 | C17 | C18 | C22 | 180.0° | 179.8° |
| C16 | C17 | C18 | C19 | 180.0° | 179.7° |
| C16 | C17 | C22 | C21 | 179.8° | 179.7° |
| C17 | C16 | C15 | H3 | 147.2° | 54.2° |
| C16 | C17 | C22 | H6 | 0.2° | 0.2° |
| C17 | C16 | H11 | H12 | 115.6° | 120.0° |
| C16 | C17 | C18 | H13 | 0.0° | 0.2° |
| N25 | C23 | C15 | H3 | 49.9° | 35.0° |
| C23 | N25 | C26 | H7 | 50.9° | 60.0° |
| C23 | N25 | C26 | H30 | 67.2° | 60.0° |
| O24 | C23 | C15 | H3 | 130.3° | 145.0° |
| O24 | C23 | N25 | H31 | 0.0° | 179.9° |
| C17 | C18 | C19 | H13 | 180.0° | 180.0° |
| C18 | C17 | C22 | C21 | 0.2° | 0.1° |
| C17 | C18 | C19 | C20 | 0.0° | 0.0° |
| C18 | C17 | C22 | H6 | 179.8° | 180.0° |
| C18 | C17 | C16 | H11 | 105.9° | 23.5° |
| C18 | C17 | C16 | H12 | 11.3° | 143.6° |
| C17 | C18 | C19 | H14 | 180.0° | 179.9° |
| C22 | C17 | C18 | C19 | 0.0° | 0.1° |
| C17 | C22 | C21 | H6 | 180.0° | 179.9° |
| C17 | C22 | C21 | C20 | 0.5° | 0.0° |
| C17 | C22 | C21 | H5 | 179.5° | 180.0° |
| C22 | C17 | C16 | H11 | 74.1° | 156.3° |
| C22 | C17 | C16 | H12 | 168.7° | 36.2° |
| C22 | C17 | C18 | H13 | 180.0° | 179.9° |
| C18 | C19 | C20 | H14 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 0.2° | 0.1° |
| C18 | C19 | C20 | H4 | 179.8° | 180.0° |
| C22 | C21 | C20 | C19 | 0.4° | 0.1° |
| C22 | C21 | C20 | H5 | 180.0° | 180.0° |
| C22 | C21 | C20 | H4 | 179.5° | 180.0° |
| C19 | C20 | C21 | H4 | 180.0° | 179.9° |
| C19 | C20 | C21 | H5 | 179.6° | 179.9° |
| C20 | C19 | C18 | H13 | 180.0° | 180.0° |
| C20 | C21 | C22 | H6 | 179.5° | 179.9° |
| C21 | C20 | C19 | H14 | 179.8° | 180.0° |
| H1 | C13 | C12 | H10 | 85.6° | 65.1° |
| H2 | C13 | C12 | H10 | 155.1° | 175.0° |
| H3 | C15 | C16 | H11 | 91.5° | 174.2° |
| H3 | C15 | C16 | H12 | 25.8° | 65.8° |
| H4 | C20 | C21 | H5 | 0.5° | 0.0° |
| H4 | C20 | C19 | H14 | 0.2° | 0.0° |
| H5 | C21 | C22 | H6 | 0.5° | 0.1° |
| H7 | C26 | C27 | H15 | 108.7° | 60.0° |
| H7 | C26 | C27 | H16 | 133.5° | 180.0° |
| H7 | C26 | N25 | H31 | 129.1° | 120.1° |
| H8 | C08 | N07 | H28 | 86.0° | 120.0° |
| H9 | C08 | N07 | H28 | 31.4° | 120.0° |
| H10 | C12 | C34 | H21 | 154.9° | 175.0° |
| H10 | C12 | C34 | H22 | 87.4° | 65.1° |
| H10 | C12 | N11 | H29 | 36.8° | 145.0° |
| H13 | C18 | C19 | H14 | 0.0° | 0.0° |
| H15 | C27 | C26 | H30 | 9.3° | 180.0° |
| H16 | C27 | C26 | H30 | 108.5° | 60.0° |
| H18 | C31 | C32 | H19 | 0.1° | 0.2° |
| H19 | C32 | C33 | H20 | 0.0° | 0.2° |
| H23 | C36 | C37 | H24 | 0.1° | 0.0° |
| H24 | C37 | C38 | H25 | 0.1° | 0.0° |
| H25 | C38 | C39 | H26 | 0.1° | 0.0° |
| H26 | C39 | C40 | H27 | 0.2° | 0.3° |
| H30 | C26 | N25 | H31 | 112.8° | 120.0° |
