A1A06
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F04 | C02 | sing | 1.40Å | 1.35Å | |
| C40 | C39 | doub | 1.38Å | 1.39Å | Aromatic |
| C40 | C41 | sing | 1.38Å | 1.40Å | Aromatic |
| C39 | C38 | sing | 1.38Å | 1.40Å | Aromatic |
| C08 | N07 | sing | 1.46Å | 1.48Å | |
| C08 | C09 | sing | 1.51Å | 1.60Å | |
| C02 | F01 | sing | 1.40Å | 1.35Å | |
| C02 | C05 | sing | 1.51Å | 1.57Å | |
| C02 | F03 | sing | 1.40Å | 1.37Å | |
| C41 | C36 | doub | 1.38Å | 1.41Å | Aromatic |
| N07 | C05 | sing | 1.35Å | 1.39Å | |
| C05 | O06 | doub | 1.21Å | 1.22Å | |
| C32 | C31 | doub | 1.38Å | 1.40Å | Aromatic |
| C32 | N33 | sing | 1.32Å | 1.36Å | Aromatic |
| C31 | C30 | sing | 1.39Å | 1.41Å | Aromatic |
| C09 | O10 | doub | 1.21Å | 1.23Å | |
| C09 | N11 | sing | 1.35Å | 1.41Å | |
| C38 | C37 | doub | 1.38Å | 1.40Å | Aromatic |
| C36 | C37 | sing | 1.38Å | 1.42Å | Aromatic |
| C36 | C35 | sing | 1.51Å | 1.54Å | |
| N33 | C34 | doub | 1.32Å | 1.36Å | Aromatic |
| N11 | C12 | sing | 1.47Å | 1.51Å | |
| C30 | C29 | doub | 1.39Å | 1.41Å | Aromatic |
| C35 | C12 | sing | 1.53Å | 1.59Å | |
| C12 | C13 | sing | 1.53Å | 1.58Å | |
| C34 | C29 | sing | 1.38Å | 1.41Å | Aromatic |
| C29 | C28 | sing | 1.51Å | 1.54Å | |
| N25 | C26 | sing | 1.47Å | 1.51Å | |
| N25 | C23 | sing | 1.35Å | 1.42Å | |
| C13 | S14 | sing | 1.81Å | 1.89Å | |
| C26 | C27 | sing | 1.53Å | 1.57Å | |
| C28 | C27 | sing | 1.53Å | 1.57Å | |
| C15 | S14 | sing | 1.81Å | 1.93Å | |
| C15 | C23 | sing | 1.51Å | 1.58Å | |
| C15 | C16 | sing | 1.53Å | 1.55Å | |
| C23 | O24 | doub | 1.21Å | 1.23Å | |
| C18 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.41Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.51Å | 1.54Å | |
| C17 | C22 | doub | 1.38Å | 1.41Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.41Å | Aromatic |
| C08 | H1 | sing | 1.09Å | 1.10Å | |
| C08 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C16 | H7 | sing | 1.09Å | 1.10Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C18 | H9 | sing | 1.08Å | 1.08Å | |
| C19 | H10 | sing | 1.08Å | 1.08Å | |
| C20 | H11 | sing | 1.08Å | 1.08Å | |
| C21 | H12 | sing | 1.08Å | 1.08Å | |
| C22 | H13 | sing | 1.08Å | 1.08Å | |
| C26 | H14 | sing | 1.09Å | 1.10Å | |
| C26 | H15 | sing | 1.09Å | 1.10Å | |
| C27 | H16 | sing | 1.09Å | 1.10Å | |
| C27 | H17 | sing | 1.09Å | 1.10Å | |
| C28 | H18 | sing | 1.09Å | 1.10Å | |
| C28 | H19 | sing | 1.09Å | 1.10Å | |
| C30 | H20 | sing | 1.08Å | 1.08Å | |
| C31 | H21 | sing | 1.08Å | 1.08Å | |
| C32 | H22 | sing | 1.08Å | 1.08Å | |
| C34 | H23 | sing | 1.08Å | 1.08Å | |
| C35 | H24 | sing | 1.09Å | 1.10Å | |
| C35 | H25 | sing | 1.09Å | 1.10Å | |
| C37 | H26 | sing | 1.08Å | 1.08Å | |
| C38 | H27 | sing | 1.08Å | 1.08Å | |
| C39 | H28 | sing | 1.08Å | 1.08Å | |
| C40 | H29 | sing | 1.08Å | 1.08Å | |
| C41 | H30 | sing | 1.08Å | 1.08Å | |
| N07 | H31 | sing | 0.97Å | 1.00Å | |
| N11 | H32 | sing | 0.97Å | 1.00Å | |
| N25 | H33 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F04 | C02 | F01 | 103.7° | 109.5° |
| F04 | C02 | C05 | 114.4° | 109.5° |
| F04 | C02 | F03 | 104.4° | 109.4° |
| C39 | C40 | C41 | 120.1° | 120.0° |
| C40 | C39 | C38 | 119.0° | 120.0° |
| C40 | C39 | H28 | 120.5° | 120.0° |
| C39 | C40 | H29 | 119.9° | 120.0° |
| C40 | C41 | C36 | 122.6° | 119.9° |
| C41 | C40 | H29 | 119.9° | 120.0° |
| C40 | C41 | H30 | 118.7° | 120.0° |
| C39 | C38 | C37 | 120.2° | 120.0° |
| C39 | C38 | H27 | 119.9° | 120.0° |
| C38 | C39 | H28 | 120.5° | 120.0° |
| N07 | C08 | C09 | 121.6° | 109.5° |
| C08 | N07 | C05 | 123.6° | 120.0° |
| N07 | C08 | H1 | 106.3° | 109.4° |
| N07 | C08 | H2 | 106.4° | 109.5° |
| C08 | N07 | H31 | 118.2° | 120.0° |
| C08 | C09 | O10 | 115.1° | 120.0° |
| C08 | C09 | N11 | 126.1° | 120.0° |
| C09 | C08 | H1 | 106.4° | 109.5° |
| C09 | C08 | H2 | 106.4° | 109.5° |
| F01 | C02 | C05 | 115.4° | 109.5° |
| F01 | C02 | F03 | 103.4° | 109.5° |
| C05 | C02 | F03 | 114.2° | 109.5° |
| C02 | C05 | N07 | 122.3° | 120.0° |
| C02 | C05 | O06 | 112.0° | 120.0° |
| C41 | C36 | C37 | 115.8° | 120.0° |
| C41 | C36 | C35 | 121.5° | 120.0° |
| C36 | C41 | H30 | 118.7° | 120.0° |
| N07 | C05 | O06 | 125.7° | 120.0° |
| C05 | N07 | H31 | 118.2° | 120.0° |
| C31 | C32 | N33 | 121.1° | 120.8° |
| C32 | C31 | C30 | 118.3° | 119.2° |
| C32 | C31 | H21 | 120.9° | 120.5° |
| C31 | C32 | H22 | 119.5° | 119.6° |
| C32 | N33 | C34 | 119.2° | 121.7° |
| N33 | C32 | H22 | 119.4° | 119.6° |
| C31 | C30 | C29 | 122.0° | 118.4° |
| C31 | C30 | H20 | 119.0° | 120.8° |
| C30 | C31 | H21 | 120.8° | 120.4° |
| O10 | C09 | N11 | 118.9° | 120.1° |
| C09 | N11 | C12 | 126.2° | 120.0° |
| C09 | N11 | H32 | 116.9° | 120.1° |
| C38 | C37 | C36 | 122.3° | 120.0° |
| C38 | C37 | H26 | 118.9° | 120.0° |
| C37 | C38 | H27 | 119.9° | 120.0° |
| C37 | C36 | C35 | 122.8° | 120.0° |
| C36 | C37 | H26 | 118.8° | 120.0° |
| C36 | C35 | C12 | 117.8° | 109.5° |
| C36 | C35 | H24 | 107.4° | 109.5° |
| C36 | C35 | H25 | 107.4° | 109.5° |
| N33 | C34 | C29 | 124.6° | 120.8° |
| N33 | C34 | H23 | 117.7° | 119.6° |
| N11 | C12 | C35 | 111.9° | 109.5° |
| N11 | C12 | C13 | 109.9° | 109.5° |
| N11 | C12 | H3 | 108.6° | 109.4° |
| C12 | N11 | H32 | 116.9° | 119.9° |
| C30 | C29 | C34 | 114.7° | 119.2° |
| C30 | C29 | C28 | 124.0° | 120.4° |
| C29 | C30 | H20 | 119.0° | 120.8° |
| C35 | C12 | C13 | 111.0° | 109.5° |
| C35 | C12 | H3 | 107.6° | 109.5° |
| C12 | C35 | H24 | 107.3° | 109.5° |
| C12 | C35 | H25 | 107.3° | 109.4° |
| C12 | C13 | S14 | 115.5° | 109.5° |
| C13 | C12 | H3 | 107.8° | 109.5° |
| C12 | C13 | H4 | 108.0° | 109.4° |
| C12 | C13 | H5 | 107.9° | 109.5° |
| C34 | C29 | C28 | 121.3° | 120.4° |
| C29 | C34 | H23 | 117.7° | 119.6° |
| C29 | C28 | C27 | 117.6° | 109.5° |
| C29 | C28 | H18 | 107.4° | 109.4° |
| C29 | C28 | H19 | 107.4° | 109.5° |
| C26 | N25 | C23 | 125.8° | 120.0° |
| N25 | C26 | C27 | 115.0° | 109.5° |
| N25 | C26 | H14 | 108.0° | 109.5° |
| N25 | C26 | H15 | 108.1° | 109.5° |
| C26 | N25 | H33 | 117.1° | 120.0° |
| N25 | C23 | C15 | 122.9° | 120.0° |
| N25 | C23 | O24 | 118.1° | 120.0° |
| C23 | N25 | H33 | 117.1° | 120.0° |
| C13 | S14 | C15 | 115.8° | 103.0° |
| S14 | C13 | H4 | 107.9° | 109.5° |
| S14 | C13 | H5 | 107.9° | 109.5° |
| C26 | C27 | C28 | 117.1° | 109.5° |
| C27 | C26 | H14 | 108.1° | 109.5° |
| C27 | C26 | H15 | 108.1° | 109.4° |
| C26 | C27 | H16 | 107.5° | 109.5° |
| C26 | C27 | H17 | 107.5° | 109.5° |
| C28 | C27 | H16 | 107.5° | 109.5° |
| C28 | C27 | H17 | 107.5° | 109.5° |
| C27 | C28 | H18 | 107.4° | 109.5° |
| C27 | C28 | H19 | 107.4° | 109.5° |
| S14 | C15 | C23 | 112.1° | 109.5° |
| S14 | C15 | C16 | 109.3° | 109.5° |
| S14 | C15 | H6 | 105.1° | 109.5° |
| C23 | C15 | C16 | 112.6° | 109.4° |
| C15 | C23 | O24 | 119.0° | 120.0° |
| C23 | C15 | H6 | 108.5° | 109.5° |
| C15 | C16 | C17 | 117.1° | 109.5° |
| C16 | C15 | H6 | 108.9° | 109.5° |
| C15 | C16 | H7 | 107.5° | 109.5° |
| C15 | C16 | H8 | 107.5° | 109.5° |
| C19 | C18 | C17 | 122.2° | 120.0° |
| C18 | C19 | C20 | 120.1° | 120.0° |
| C19 | C18 | H9 | 118.9° | 120.0° |
| C18 | C19 | H10 | 120.0° | 120.1° |
| C18 | C17 | C16 | 122.1° | 120.0° |
| C18 | C17 | C22 | 116.5° | 120.0° |
| C17 | C18 | H9 | 118.9° | 120.0° |
| C19 | C20 | C21 | 119.0° | 120.0° |
| C20 | C19 | H10 | 119.9° | 120.0° |
| C19 | C20 | H11 | 120.5° | 120.0° |
| C16 | C17 | C22 | 121.4° | 120.0° |
| C17 | C16 | H7 | 107.5° | 109.5° |
| C17 | C16 | H8 | 107.6° | 109.5° |
| C17 | C22 | C21 | 121.5° | 120.0° |
| C17 | C22 | H13 | 119.2° | 120.0° |
| C20 | C21 | C22 | 120.6° | 120.0° |
| C21 | C20 | H11 | 120.5° | 120.1° |
| C20 | C21 | H12 | 119.7° | 119.9° |
| C22 | C21 | H12 | 119.7° | 120.1° |
| C21 | C22 | H13 | 119.2° | 120.0° |
| H1 | C08 | H2 | 109.4° | 109.5° |
| H4 | C13 | H5 | 109.5° | 109.4° |
| H7 | C16 | H8 | 109.5° | 109.4° |
| H14 | C26 | H15 | 109.5° | 109.5° |
| H16 | C27 | H17 | 109.5° | 109.4° |
| H18 | C28 | H19 | 109.5° | 109.5° |
| H24 | C35 | H25 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F04 | C02 | F01 | C05 | 125.9° | 120.0° |
| F04 | C02 | F01 | F03 | 108.8° | 119.9° |
| F04 | C02 | C05 | F03 | 120.2° | 119.9° |
| F04 | C02 | C05 | N07 | 64.7° | 59.9° |
| F04 | C02 | C05 | O06 | 115.7° | 120.0° |
| C39 | C40 | C41 | H29 | 180.0° | 179.7° |
| C40 | C39 | C38 | H28 | 180.0° | 180.0° |
| C39 | C40 | C41 | C36 | 0.2° | 0.6° |
| C40 | C39 | C38 | C37 | 0.3° | 0.0° |
| C40 | C39 | C38 | H27 | 179.7° | 179.9° |
| C39 | C40 | C41 | H30 | 179.8° | 179.9° |
| C41 | C40 | C39 | C38 | 0.2° | 0.3° |
| C40 | C41 | C36 | H30 | 180.0° | 179.5° |
| C40 | C41 | C36 | C37 | 0.3° | 0.6° |
| C40 | C41 | C36 | C35 | 179.9° | 179.7° |
| C41 | C40 | C39 | H28 | 179.8° | 179.7° |
| C39 | C38 | C37 | H27 | 180.0° | 179.9° |
| C39 | C38 | C37 | C36 | 0.5° | 0.0° |
| C39 | C38 | C37 | H26 | 179.5° | 180.0° |
| C38 | C39 | C40 | H29 | 179.8° | 180.0° |
| N07 | C08 | C09 | H1 | 121.7° | 119.9° |
| N07 | C08 | C09 | H2 | 121.7° | 120.0° |
| C08 | N07 | C05 | C02 | 0.8° | 180.0° |
| C08 | N07 | C05 | H31 | 180.0° | 180.0° |
| C08 | N07 | C05 | O06 | 179.8° | 0.0° |
| N07 | C08 | C09 | O10 | 128.7° | 0.0° |
| N07 | C08 | C09 | N11 | 51.7° | 180.0° |
| N07 | C08 | H1 | H2 | 114.5° | 120.0° |
| C09 | C08 | N07 | C05 | 120.5° | 180.0° |
| C08 | C09 | O10 | N11 | 179.6° | 180.0° |
| C08 | C09 | N11 | C12 | 179.6° | 180.0° |
| C09 | C08 | H1 | H2 | 114.5° | 120.0° |
| C09 | C08 | N07 | H31 | 59.5° | 0.0° |
| C08 | C09 | N11 | H32 | 0.4° | 0.0° |
| F01 | C02 | C05 | F03 | 119.6° | 120.0° |
| F01 | C02 | C05 | N07 | 175.1° | 180.0° |
| F01 | C02 | C05 | O06 | 4.4° | 0.0° |
| C02 | C05 | N07 | O06 | 179.5° | 180.0° |
| C02 | C05 | N07 | H31 | 179.2° | 0.0° |
| F03 | C02 | C05 | N07 | 55.5° | 60.0° |
| F03 | C02 | C05 | O06 | 124.0° | 120.0° |
| C41 | C36 | C37 | C38 | 0.4° | 0.3° |
| C41 | C36 | C37 | C35 | 179.7° | 179.7° |
| C41 | C36 | C35 | C12 | 58.4° | 90.2° |
| C41 | C36 | C35 | H24 | 179.6° | 149.7° |
| C41 | C36 | C35 | H25 | 62.8° | 29.7° |
| C41 | C36 | C37 | H26 | 179.6° | 179.7° |
| C36 | C41 | C40 | H29 | 179.8° | 179.7° |
| C05 | N07 | C08 | H1 | 1.2° | 60.0° |
| C05 | N07 | C08 | H2 | 117.8° | 60.0° |
| O06 | C05 | N07 | H31 | 0.2° | 180.0° |
| C31 | C32 | N33 | H22 | 180.0° | 179.9° |
| C32 | C31 | C30 | H21 | 180.0° | 179.9° |
| C31 | C32 | N33 | C34 | 0.0° | 0.3° |
| C32 | C31 | C30 | C29 | 0.0° | 0.1° |
| C32 | C31 | C30 | H20 | 180.0° | 180.0° |
| N33 | C32 | C31 | C30 | 0.0° | 0.1° |
| C32 | N33 | C34 | C29 | 0.1° | 0.6° |
| N33 | C32 | C31 | H21 | 180.0° | 180.0° |
| C32 | N33 | C34 | H23 | 180.0° | 179.7° |
| C31 | C30 | C29 | H20 | 180.0° | 180.0° |
| C31 | C30 | C29 | C34 | 0.1° | 0.2° |
| C31 | C30 | C29 | C28 | 179.9° | 180.0° |
| C30 | C31 | C32 | H22 | 179.9° | 180.0° |
| O10 | C09 | N11 | C12 | 0.0° | 0.1° |
| O10 | C09 | C08 | H1 | 7.1° | 119.9° |
| O10 | C09 | C08 | H2 | 109.6° | 120.0° |
| O10 | C09 | N11 | H32 | 179.9° | 180.0° |
| C09 | N11 | C12 | H32 | 180.0° | 180.0° |
| C09 | N11 | C12 | C35 | 134.0° | 85.0° |
| C09 | N11 | C12 | C13 | 102.2° | 155.0° |
| N11 | C09 | C08 | H1 | 173.4° | 60.0° |
| N11 | C09 | C08 | H2 | 70.0° | 60.0° |
| C09 | N11 | C12 | H3 | 15.5° | 35.0° |
| C38 | C37 | C36 | H26 | 180.0° | 180.0° |
| C38 | C37 | C36 | C35 | 179.9° | 180.0° |
| C37 | C38 | C39 | H28 | 179.6° | 180.0° |
| C37 | C36 | C35 | C12 | 122.0° | 90.0° |
| C37 | C36 | C35 | H24 | 0.8° | 30.0° |
| C37 | C36 | C35 | H25 | 116.8° | 150.0° |
| C36 | C37 | C38 | H27 | 179.6° | 179.9° |
| C37 | C36 | C41 | H30 | 179.7° | 179.9° |
| C36 | C35 | C12 | N11 | 91.3° | 65.0° |
| C36 | C35 | C12 | H24 | 121.2° | 120.1° |
| C36 | C35 | C12 | H25 | 121.2° | 120.0° |
| C36 | C35 | C12 | C13 | 145.5° | 175.0° |
| C36 | C35 | C12 | H3 | 27.9° | 55.0° |
| C36 | C35 | H24 | H25 | 116.3° | 120.0° |
| C35 | C36 | C37 | H26 | 0.1° | 0.0° |
| C35 | C36 | C41 | H30 | 0.1° | 0.2° |
| N33 | C34 | C29 | C30 | 0.1° | 0.5° |
| N33 | C34 | C29 | H23 | 180.0° | 179.7° |
| N33 | C34 | C29 | C28 | 179.9° | 179.7° |
| C34 | N33 | C32 | H22 | 179.9° | 179.7° |
| N11 | C12 | C35 | C13 | 123.2° | 120.0° |
| N11 | C12 | C35 | H3 | 119.2° | 120.0° |
| N11 | C12 | C13 | H3 | 118.1° | 119.9° |
| N11 | C12 | C13 | S14 | 89.1° | 65.0° |
| N11 | C12 | C13 | H4 | 150.0° | 175.0° |
| N11 | C12 | C13 | H5 | 31.7° | 55.1° |
| N11 | C12 | C35 | H24 | 147.5° | 55.1° |
| N11 | C12 | C35 | H25 | 29.9° | 175.0° |
| C30 | C29 | C34 | C28 | 179.8° | 179.8° |
| C30 | C29 | C28 | C27 | 95.7° | 90.0° |
| C30 | C29 | C28 | H18 | 25.4° | 30.0° |
| C30 | C29 | C28 | H19 | 143.1° | 150.0° |
| C29 | C30 | C31 | H21 | 180.0° | 180.0° |
| C30 | C29 | C34 | H23 | 179.9° | 179.8° |
| C35 | C12 | C13 | H3 | 117.6° | 120.1° |
| C35 | C12 | C13 | S14 | 146.5° | 175.0° |
| C35 | C12 | C13 | H4 | 25.7° | 55.0° |
| C35 | C12 | C13 | H5 | 92.6° | 64.9° |
| C12 | C35 | H24 | H25 | 116.2° | 119.9° |
| C35 | C12 | N11 | H32 | 46.0° | 95.0° |
| C12 | C13 | S14 | H4 | 120.9° | 120.0° |
| C12 | C13 | S14 | H5 | 120.9° | 120.0° |
| C12 | C13 | S14 | C15 | 45.6° | 174.9° |
| C12 | C13 | H4 | H5 | 117.3° | 119.9° |
| C13 | C12 | C35 | H24 | 24.4° | 64.9° |
| C13 | C12 | C35 | H25 | 93.2° | 55.0° |
| C13 | C12 | N11 | H32 | 77.8° | 25.0° |
| C34 | C29 | C28 | C27 | 84.5° | 90.3° |
| C34 | C29 | C28 | H18 | 154.4° | 149.8° |
| C34 | C29 | C28 | H19 | 36.7° | 29.8° |
| C34 | C29 | C30 | H20 | 179.9° | 179.8° |
| C29 | C28 | C27 | C26 | 19.3° | 180.0° |
| C29 | C28 | C27 | H18 | 121.1° | 120.0° |
| C29 | C28 | C27 | H19 | 121.2° | 120.0° |
| C29 | C28 | C27 | H16 | 101.8° | 60.0° |
| C29 | C28 | C27 | H17 | 140.4° | 60.0° |
| C29 | C28 | H18 | H19 | 116.3° | 120.0° |
| C28 | C29 | C30 | H20 | 0.1° | 0.0° |
| C28 | C29 | C34 | H23 | 0.1° | 0.0° |
| C26 | N25 | C23 | H33 | 180.0° | 180.0° |
| N25 | C26 | C27 | H14 | 120.8° | 120.0° |
| N25 | C26 | C27 | H15 | 120.8° | 120.0° |
| N25 | C26 | C27 | C28 | 116.3° | 180.0° |
| C26 | N25 | C23 | C15 | 179.4° | 180.0° |
| C26 | N25 | C23 | O24 | 0.3° | 0.0° |
| N25 | C26 | H14 | H15 | 117.5° | 120.0° |
| N25 | C26 | C27 | H16 | 122.6° | 60.0° |
| N25 | C26 | C27 | H17 | 4.8° | 59.9° |
| C23 | N25 | C26 | C27 | 65.5° | 180.0° |
| N25 | C23 | C15 | S14 | 106.8° | 155.0° |
| N25 | C23 | C15 | O24 | 179.7° | 180.0° |
| N25 | C23 | C15 | C16 | 129.5° | 85.0° |
| N25 | C23 | C15 | H6 | 8.9° | 35.0° |
| C23 | N25 | C26 | H14 | 173.7° | 60.0° |
| C23 | N25 | C26 | H15 | 55.3° | 60.0° |
| C13 | S14 | C15 | C23 | 40.4° | 171.9° |
| C13 | S14 | C15 | C16 | 166.0° | 68.1° |
| S14 | C13 | C12 | H3 | 29.0° | 54.9° |
| S14 | C13 | H4 | H5 | 117.3° | 120.0° |
| C13 | S14 | C15 | H6 | 77.3° | 51.9° |
| C26 | C27 | C28 | H16 | 121.1° | 120.0° |
| C26 | C27 | C28 | H17 | 121.1° | 120.1° |
| C27 | C26 | H14 | H15 | 117.5° | 120.0° |
| C26 | C27 | H16 | H17 | 116.5° | 120.0° |
| C26 | C27 | C28 | H18 | 101.8° | 60.0° |
| C26 | C27 | C28 | H19 | 140.5° | 60.0° |
| C27 | C26 | N25 | H33 | 114.5° | 0.1° |
| C28 | C27 | C26 | H14 | 4.5° | 60.0° |
| C28 | C27 | C26 | H15 | 122.8° | 60.0° |
| C28 | C27 | H16 | H17 | 116.5° | 120.0° |
| C27 | C28 | H18 | H19 | 116.3° | 120.0° |
| S14 | C15 | C23 | C16 | 123.8° | 120.0° |
| S14 | C15 | C23 | H6 | 115.6° | 120.1° |
| S14 | C15 | C16 | H6 | 114.3° | 120.0° |
| S14 | C15 | C23 | O24 | 73.6° | 24.9° |
| S14 | C15 | C16 | C17 | 170.4° | 174.2° |
| C15 | S14 | C13 | H4 | 75.4° | 65.1° |
| C15 | S14 | C13 | H5 | 166.4° | 54.9° |
| S14 | C15 | C16 | H7 | 49.4° | 65.7° |
| S14 | C15 | C16 | H8 | 68.5° | 54.2° |
| C23 | C15 | C16 | H6 | 120.4° | 120.0° |
| C23 | C15 | C16 | C17 | 45.1° | 65.8° |
| C23 | C15 | C16 | H7 | 76.0° | 54.2° |
| C23 | C15 | C16 | H8 | 166.2° | 174.2° |
| C15 | C23 | N25 | H33 | 0.6° | 0.1° |
| C16 | C15 | C23 | O24 | 50.2° | 95.0° |
| C15 | C16 | C17 | C18 | 71.9° | 83.2° |
| C15 | C16 | C17 | H7 | 121.1° | 120.0° |
| C15 | C16 | C17 | H8 | 121.1° | 120.0° |
| C15 | C16 | C17 | C22 | 108.7° | 96.5° |
| C15 | C16 | H7 | H8 | 116.5° | 120.0° |
| O24 | C23 | C15 | H6 | 170.8° | 145.0° |
| O24 | C23 | N25 | H33 | 179.7° | 180.0° |
| C19 | C18 | C17 | H9 | 180.0° | 179.9° |
| C18 | C19 | C20 | H10 | 180.0° | 180.0° |
| C19 | C18 | C17 | C16 | 179.7° | 180.0° |
| C19 | C18 | C17 | C22 | 0.2° | 0.3° |
| C18 | C19 | C20 | C21 | 0.1° | 0.0° |
| C18 | C19 | C20 | H11 | 179.9° | 179.9° |
| C17 | C18 | C19 | C20 | 0.0° | 0.0° |
| C18 | C17 | C16 | C22 | 179.4° | 179.7° |
| C18 | C17 | C22 | C21 | 0.3° | 0.5° |
| C18 | C17 | C16 | H7 | 167.0° | 156.7° |
| C18 | C17 | C16 | H8 | 49.2° | 36.8° |
| C17 | C18 | C19 | H10 | 180.0° | 180.0° |
| C18 | C17 | C22 | H13 | 179.7° | 179.7° |
| C19 | C20 | C21 | H11 | 180.0° | 179.9° |
| C19 | C20 | C21 | C22 | 0.0° | 0.2° |
| C20 | C19 | C18 | H9 | 180.0° | 180.0° |
| C19 | C20 | C21 | H12 | 180.0° | 180.0° |
| C16 | C17 | C22 | C21 | 179.7° | 179.8° |
| C17 | C16 | C15 | H6 | 75.3° | 54.2° |
| C17 | C16 | H7 | H8 | 116.6° | 120.0° |
| C16 | C17 | C18 | H9 | 0.4° | 0.1° |
| C16 | C17 | C22 | H13 | 0.3° | 0.0° |
| C17 | C22 | C21 | C20 | 0.2° | 0.5° |
| C17 | C22 | C21 | H13 | 180.0° | 179.8° |
| C22 | C17 | C16 | H7 | 12.4° | 23.5° |
| C22 | C17 | C16 | H8 | 130.2° | 143.5° |
| C22 | C17 | C18 | H9 | 179.8° | 179.8° |
| C17 | C22 | C21 | H12 | 179.8° | 179.8° |
| C20 | C21 | C22 | H12 | 180.0° | 179.8° |
| C21 | C20 | C19 | H10 | 179.9° | 180.0° |
| C20 | C21 | C22 | H13 | 179.8° | 179.7° |
| C22 | C21 | C20 | H11 | 180.0° | 179.9° |
| H1 | C08 | N07 | H31 | 178.8° | 120.0° |
| H2 | C08 | N07 | H31 | 62.2° | 120.0° |
| H3 | C12 | C13 | H4 | 91.9° | 65.1° |
| H3 | C12 | C13 | H5 | 149.9° | 175.0° |
| H3 | C12 | C35 | H24 | 93.3° | 175.0° |
| H3 | C12 | C35 | H25 | 149.1° | 65.0° |
| H3 | C12 | N11 | H32 | 164.5° | 145.0° |
| H6 | C15 | C16 | H7 | 163.6° | 174.2° |
| H6 | C15 | C16 | H8 | 45.8° | 65.8° |
| H9 | C18 | C19 | H10 | 0.0° | 0.1° |
| H10 | C19 | C20 | H11 | 0.1° | 0.1° |
| H11 | C20 | C21 | H12 | 0.0° | 0.1° |
| H12 | C21 | C22 | H13 | 0.2° | 0.0° |
| H14 | C26 | C27 | H16 | 116.7° | 60.1° |
| H14 | C26 | C27 | H17 | 125.6° | 180.0° |
| H14 | C26 | N25 | H33 | 6.3° | 120.0° |
| H15 | C26 | C27 | H16 | 1.7° | 180.0° |
| H15 | C26 | C27 | H17 | 116.1° | 60.0° |
| H15 | C26 | N25 | H33 | 124.7° | 120.0° |
| H16 | C27 | C28 | H18 | 137.1° | 180.0° |
| H16 | C27 | C28 | H19 | 19.4° | 60.0° |
| H17 | C27 | C28 | H18 | 19.3° | 60.0° |
| H17 | C27 | C28 | H19 | 98.4° | 180.0° |
| H20 | C30 | C31 | H21 | 0.1° | 0.1° |
| H21 | C31 | C32 | H22 | 0.1° | 0.1° |
| H26 | C37 | C38 | H27 | 0.4° | 0.0° |
| H27 | C38 | C39 | H28 | 0.3° | 0.1° |
| H28 | C39 | C40 | H29 | 0.2° | 0.0° |
| H29 | C40 | C41 | H30 | 0.2° | 0.3° |
