A1JDB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C34 | N33 | sing | 1.47Å | 1.53Å | |
| N33 | C32 | sing | 1.47Å | 1.51Å | |
| N33 | C35 | sing | 1.47Å | 1.52Å | |
| C32 | C31 | sing | 1.53Å | 1.56Å | |
| C31 | N30 | sing | 1.47Å | 1.54Å | |
| C35 | C36 | sing | 1.53Å | 1.59Å | |
| C36 | N30 | sing | 1.47Å | 1.52Å | |
| N30 | C29 | sing | 1.40Å | 1.49Å | |
| C29 | C28 | doub | 1.39Å | 1.43Å | Aromatic |
| C29 | C37 | sing | 1.39Å | 1.45Å | Aromatic |
| C28 | C27 | sing | 1.38Å | 1.44Å | Aromatic |
| C11 | C37 | sing | 1.51Å | 1.59Å | |
| C11 | O10 | sing | 1.43Å | 1.48Å | |
| C37 | C38 | doub | 1.38Å | 1.42Å | Aromatic |
| C27 | C26 | doub | 1.39Å | 1.39Å | Aromatic |
| C38 | C26 | sing | 1.39Å | 1.40Å | Aromatic |
| O10 | C09 | sing | 1.43Å | 1.49Å | |
| C26 | N25 | sing | 1.41Å | 1.40Å | |
| N25 | C24 | sing | 1.39Å | 1.41Å | |
| C09 | C08 | sing | 1.51Å | 1.53Å | |
| C24 | N23 | doub | 1.32Å | 1.35Å | Aromatic |
| C24 | N39 | sing | 1.33Å | 1.38Å | Aromatic |
| C08 | C12 | doub | 1.39Å | 1.35Å | Aromatic |
| C08 | C07 | sing | 1.38Å | 1.39Å | Aromatic |
| N23 | C04 | sing | 1.33Å | 1.34Å | Aromatic |
| N39 | C40 | doub | 1.32Å | 1.34Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.41Å | Aromatic |
| C07 | C06 | doub | 1.39Å | 1.40Å | Aromatic |
| C17 | C14 | sing | 1.53Å | 1.52Å | |
| C04 | C03 | doub | 1.42Å | 1.41Å | Aromatic |
| C04 | N05 | sing | 1.37Å | 1.44Å | |
| C40 | C03 | sing | 1.39Å | 1.42Å | Aromatic |
| C13 | C14 | sing | 1.51Å | 1.56Å | |
| C13 | N18 | doub | 1.32Å | 1.36Å | Aromatic |
| C06 | N05 | sing | 1.39Å | 1.41Å | |
| C06 | N18 | sing | 1.33Å | 1.34Å | Aromatic |
| C14 | O16 | sing | 1.43Å | 1.40Å | |
| C14 | C15 | sing | 1.53Å | 1.55Å | |
| C03 | C02 | sing | 1.47Å | 1.43Å | |
| N05 | N19 | sing | 1.41Å | 1.46Å | |
| C02 | N19 | sing | 1.34Å | 1.35Å | |
| C02 | O01 | doub | 1.22Å | 1.24Å | |
| N19 | C20 | sing | 1.46Å | 1.36Å | |
| C20 | C21 | sing | 1.51Å | 1.49Å | |
| C21 | C22 | doub | 1.31Å | 1.37Å | |
| C15 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C20 | H7 | sing | 1.09Å | 1.10Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C21 | H9 | sing | 1.08Å | 1.08Å | |
| C22 | H10 | sing | 1.08Å | 1.08Å | |
| C22 | H11 | sing | 1.08Å | 1.08Å | |
| C28 | H12 | sing | 1.08Å | 1.08Å | |
| C07 | H13 | sing | 1.08Å | 1.08Å | |
| C09 | H14 | sing | 1.09Å | 1.10Å | |
| C09 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.08Å | 1.08Å | |
| O16 | H19 | sing | 0.97Å | 0.95Å | |
| N25 | H20 | sing | 0.97Å | 1.00Å | |
| C27 | H21 | sing | 1.08Å | 1.08Å | |
| C31 | H22 | sing | 1.09Å | 1.10Å | |
| C31 | H23 | sing | 1.09Å | 1.10Å | |
| C32 | H24 | sing | 1.09Å | 1.10Å | |
| C32 | H25 | sing | 1.09Å | 1.10Å | |
| C34 | H27 | sing | 1.09Å | 1.10Å | |
| C34 | H28 | sing | 1.09Å | 1.10Å | |
| C34 | H29 | sing | 1.09Å | 1.10Å | |
| C35 | H30 | sing | 1.09Å | 1.10Å | |
| C35 | H31 | sing | 1.09Å | 1.10Å | |
| C36 | H32 | sing | 1.09Å | 1.10Å | |
| C36 | H33 | sing | 1.09Å | 1.10Å | |
| C38 | H34 | sing | 1.08Å | 1.08Å | |
| C40 | H35 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C34 | N33 | C32 | 112.3° | 111.0° |
| C34 | N33 | C35 | 113.2° | 111.0° |
| N33 | C34 | H27 | 109.5° | 109.5° |
| N33 | C34 | H28 | 109.4° | 109.5° |
| N33 | C34 | H29 | 109.4° | 109.4° |
| C32 | N33 | C35 | 109.1° | 110.9° |
| N33 | C32 | C31 | 112.4° | 109.3° |
| N33 | C32 | H24 | 108.8° | 109.5° |
| N33 | C32 | H25 | 108.7° | 109.5° |
| N33 | C35 | C36 | 111.4° | 109.4° |
| N33 | C35 | H30 | 109.0° | 109.5° |
| N33 | C35 | H31 | 109.0° | 109.5° |
| C32 | C31 | N30 | 112.3° | 109.3° |
| C32 | C31 | H22 | 108.8° | 109.5° |
| C32 | C31 | H23 | 108.8° | 109.5° |
| C31 | C32 | H24 | 108.7° | 109.5° |
| C31 | C32 | H25 | 108.7° | 109.5° |
| C31 | N30 | C36 | 100.3° | 110.9° |
| C31 | N30 | C29 | 115.4° | 111.0° |
| N30 | C31 | H22 | 108.8° | 109.5° |
| N30 | C31 | H23 | 108.8° | 109.5° |
| C35 | C36 | N30 | 110.8° | 109.4° |
| C36 | C35 | H30 | 109.0° | 109.5° |
| C36 | C35 | H31 | 109.0° | 109.5° |
| C35 | C36 | H32 | 109.2° | 109.5° |
| C35 | C36 | H33 | 109.1° | 109.5° |
| C36 | N30 | C29 | 123.2° | 111.0° |
| N30 | C36 | H32 | 109.2° | 109.5° |
| N30 | C36 | H33 | 109.1° | 109.5° |
| N30 | C29 | C28 | 125.4° | 119.9° |
| N30 | C29 | C37 | 120.2° | 120.0° |
| C28 | C29 | C37 | 114.4° | 120.1° |
| C29 | C28 | C27 | 124.5° | 119.9° |
| C29 | C28 | H12 | 117.8° | 120.1° |
| C29 | C37 | C11 | 121.9° | 120.0° |
| C29 | C37 | C38 | 118.7° | 120.0° |
| C28 | C27 | C26 | 120.7° | 119.9° |
| C27 | C28 | H12 | 117.7° | 120.0° |
| C28 | C27 | H21 | 119.7° | 120.0° |
| C37 | C11 | O10 | 117.0° | 108.7° |
| C11 | C37 | C38 | 119.4° | 120.1° |
| C37 | C11 | H16 | 107.5° | 109.6° |
| C37 | C11 | H17 | 107.5° | 109.6° |
| C11 | O10 | C09 | 124.1° | 113.4° |
| O10 | C11 | H16 | 107.6° | 109.6° |
| O10 | C11 | H17 | 107.5° | 109.6° |
| C37 | C38 | C26 | 126.8° | 120.0° |
| C37 | C38 | H34 | 116.6° | 120.0° |
| C27 | C26 | C38 | 114.9° | 120.1° |
| C27 | C26 | N25 | 122.0° | 118.5° |
| C26 | C27 | H21 | 119.7° | 120.1° |
| C38 | C26 | N25 | 123.1° | 121.4° |
| C26 | C38 | H34 | 116.6° | 120.0° |
| O10 | C09 | C08 | 105.7° | 109.7° |
| O10 | C09 | H14 | 110.4° | 109.5° |
| O10 | C09 | H15 | 110.4° | 109.4° |
| C26 | N25 | C24 | 128.4° | 118.1° |
| C26 | N25 | H20 | 115.8° | 120.9° |
| N25 | C24 | N23 | 119.9° | 122.3° |
| N25 | C24 | N39 | 116.2° | 115.0° |
| C24 | N25 | H20 | 115.8° | 120.9° |
| C09 | C08 | C12 | 122.5° | 120.0° |
| C09 | C08 | C07 | 120.5° | 121.5° |
| C08 | C09 | H14 | 110.4° | 109.4° |
| C08 | C09 | H15 | 110.4° | 109.4° |
| N23 | C24 | N39 | 123.8° | 122.7° |
| C24 | N23 | C04 | 120.0° | 120.8° |
| C24 | N39 | C40 | 116.5° | 120.9° |
| C12 | C08 | C07 | 116.8° | 118.5° |
| C08 | C12 | C13 | 119.3° | 119.5° |
| C08 | C12 | H18 | 120.4° | 120.3° |
| C08 | C07 | C06 | 123.7° | 119.3° |
| C08 | C07 | H13 | 118.1° | 120.4° |
| N23 | C04 | C03 | 120.1° | 117.6° |
| N23 | C04 | N05 | 130.5° | 135.3° |
| N39 | C40 | C03 | 122.6° | 118.4° |
| N39 | C40 | H35 | 118.7° | 120.8° |
| C12 | C13 | C14 | 115.9° | 119.6° |
| C12 | C13 | N18 | 122.4° | 120.7° |
| C13 | C12 | H18 | 120.4° | 120.3° |
| C07 | C06 | N05 | 119.4° | 122.7° |
| C07 | C06 | N18 | 118.0° | 120.3° |
| C06 | C07 | H13 | 118.2° | 120.4° |
| C17 | C14 | C13 | 113.6° | 109.4° |
| C17 | C14 | O16 | 105.1° | 109.5° |
| C17 | C14 | C15 | 109.1° | 109.5° |
| C14 | C17 | H4 | 109.5° | 109.5° |
| C14 | C17 | H5 | 109.4° | 109.4° |
| C14 | C17 | H6 | 109.5° | 109.5° |
| C03 | C04 | N05 | 109.3° | 107.1° |
| C04 | C03 | C40 | 116.9° | 119.6° |
| C04 | C03 | C02 | 106.1° | 107.0° |
| C04 | N05 | C06 | 127.2° | 129.2° |
| C04 | N05 | N19 | 105.1° | 109.5° |
| C40 | C03 | C02 | 137.0° | 133.4° |
| C03 | C40 | H35 | 118.7° | 120.8° |
| C14 | C13 | N18 | 121.6° | 119.7° |
| C13 | C14 | O16 | 105.2° | 109.5° |
| C13 | C14 | C15 | 113.1° | 109.5° |
| C13 | N18 | C06 | 119.5° | 121.8° |
| N05 | C06 | N18 | 121.3° | 117.0° |
| C06 | N05 | N19 | 126.0° | 121.3° |
| O16 | C14 | C15 | 110.2° | 109.5° |
| C14 | O16 | H19 | 109.5° | 114.0° |
| C14 | C15 | H1 | 109.5° | 109.4° |
| C14 | C15 | H2 | 109.4° | 109.5° |
| C14 | C15 | H3 | 109.5° | 109.5° |
| C03 | C02 | N19 | 110.7° | 106.7° |
| C03 | C02 | O01 | 131.9° | 126.6° |
| N05 | N19 | C02 | 108.4° | 109.7° |
| N05 | N19 | C20 | 129.9° | 125.1° |
| N19 | C02 | O01 | 117.4° | 126.7° |
| C02 | N19 | C20 | 121.4° | 125.2° |
| N19 | C20 | C21 | 109.4° | 109.4° |
| N19 | C20 | H7 | 109.5° | 109.5° |
| N19 | C20 | H8 | 109.5° | 109.4° |
| C20 | C21 | C22 | 124.9° | 120.0° |
| C21 | C20 | H7 | 109.5° | 109.5° |
| C21 | C20 | H8 | 109.5° | 109.5° |
| C20 | C21 | H9 | 117.6° | 120.0° |
| C22 | C21 | H9 | 117.5° | 120.0° |
| C21 | C22 | H10 | 120.0° | 120.0° |
| C21 | C22 | H11 | 120.0° | 120.0° |
| H1 | C15 | H2 | 109.4° | 109.5° |
| H1 | C15 | H3 | 109.4° | 109.5° |
| H2 | C15 | H3 | 109.5° | 109.5° |
| H4 | C17 | H5 | 109.5° | 109.4° |
| H4 | C17 | H6 | 109.4° | 109.6° |
| H5 | C17 | H6 | 109.5° | 109.5° |
| H7 | C20 | H8 | 109.5° | 109.5° |
| H10 | C22 | H11 | 120.0° | 120.0° |
| H14 | C09 | H15 | 109.4° | 109.4° |
| H16 | C11 | H17 | 109.5° | 109.8° |
| H22 | C31 | H23 | 109.5° | 109.5° |
| H24 | C32 | H25 | 109.5° | 109.5° |
| H27 | C34 | H28 | 109.5° | 109.5° |
| H27 | C34 | H29 | 109.5° | 109.5° |
| H28 | C34 | H29 | 109.5° | 109.5° |
| H30 | C35 | H31 | 109.5° | 109.5° |
| H32 | C36 | H33 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C34 | N33 | C32 | C35 | 126.2° | 123.9° |
| C34 | N33 | C32 | C31 | 76.4° | 64.6° |
| C34 | N33 | C35 | C36 | 74.4° | 64.6° |
| C34 | N33 | C32 | H24 | 163.2° | 55.4° |
| C34 | N33 | C32 | H25 | 44.1° | 175.4° |
| N33 | C34 | H27 | H28 | 120.0° | 120.0° |
| N33 | C34 | H27 | H29 | 120.0° | 119.9° |
| N33 | C34 | H28 | H29 | 120.0° | 120.0° |
| C34 | N33 | C35 | H30 | 45.9° | 55.4° |
| C34 | N33 | C35 | H31 | 165.3° | 175.5° |
| N33 | C32 | C31 | H24 | 120.4° | 120.0° |
| N33 | C32 | C31 | H25 | 120.4° | 120.0° |
| N33 | C32 | C31 | N30 | 60.7° | 58.4° |
| C32 | N33 | C35 | C36 | 51.3° | 59.3° |
| N33 | C32 | C31 | H22 | 178.9° | 61.6° |
| N33 | C32 | C31 | H23 | 59.8° | 178.4° |
| N33 | C32 | H24 | H25 | 118.7° | 120.0° |
| C32 | N33 | C34 | H27 | 180.0° | 60.0° |
| C32 | N33 | C34 | H28 | 60.0° | 180.0° |
| C32 | N33 | C34 | H29 | 60.0° | 60.0° |
| C32 | N33 | C35 | H30 | 171.6° | 179.3° |
| C32 | N33 | C35 | H31 | 69.0° | 60.7° |
| C35 | N33 | C32 | C31 | 49.9° | 59.3° |
| N33 | C35 | C36 | H30 | 120.3° | 120.0° |
| N33 | C35 | C36 | H31 | 120.3° | 119.9° |
| N33 | C35 | C36 | N30 | 64.2° | 58.4° |
| C35 | N33 | C32 | H24 | 70.5° | 179.3° |
| C35 | N33 | C32 | H25 | 170.3° | 60.7° |
| C35 | N33 | C34 | H27 | 56.0° | 176.2° |
| C35 | N33 | C34 | H28 | 64.0° | 56.2° |
| C35 | N33 | C34 | H29 | 176.0° | 63.8° |
| N33 | C35 | H30 | H31 | 119.1° | 120.0° |
| N33 | C35 | C36 | H32 | 56.0° | 178.3° |
| N33 | C35 | C36 | H33 | 175.7° | 61.6° |
| C32 | C31 | N30 | H22 | 120.4° | 120.0° |
| C32 | C31 | N30 | H23 | 120.5° | 120.0° |
| C32 | C31 | N30 | C36 | 65.3° | 59.4° |
| C32 | C31 | N30 | C29 | 160.1° | 176.8° |
| C32 | C31 | H22 | H23 | 118.7° | 120.0° |
| C31 | C32 | H24 | H25 | 118.7° | 120.1° |
| C31 | N30 | C36 | C35 | 66.3° | 59.3° |
| C31 | N30 | C36 | C29 | 129.8° | 123.8° |
| C31 | N30 | C29 | C28 | 110.7° | 60.0° |
| C31 | N30 | C29 | C37 | 68.7° | 120.0° |
| N30 | C31 | H22 | H23 | 118.7° | 120.1° |
| N30 | C31 | C32 | H24 | 59.8° | 178.4° |
| N30 | C31 | C32 | H25 | 178.9° | 61.6° |
| C31 | N30 | C36 | H32 | 53.9° | 179.3° |
| C31 | N30 | C36 | H33 | 173.5° | 60.6° |
| C35 | C36 | N30 | H32 | 120.2° | 120.0° |
| C35 | C36 | N30 | H33 | 120.2° | 120.0° |
| C35 | C36 | N30 | C29 | 163.9° | 176.8° |
| C36 | C35 | H30 | H31 | 119.1° | 120.1° |
| C35 | C36 | H32 | H33 | 119.4° | 120.1° |
| C36 | N30 | C29 | C28 | 12.5° | 63.8° |
| C36 | N30 | C29 | C37 | 168.1° | 116.2° |
| C36 | N30 | C31 | H22 | 174.3° | 60.6° |
| C36 | N30 | C31 | H23 | 55.2° | 179.3° |
| N30 | C36 | C35 | H30 | 175.6° | 178.4° |
| N30 | C36 | C35 | H31 | 56.1° | 61.6° |
| N30 | C36 | H32 | H33 | 119.4° | 120.0° |
| N30 | C29 | C28 | C37 | 179.4° | 180.0° |
| N30 | C29 | C28 | C27 | 179.9° | 179.8° |
| N30 | C29 | C37 | C11 | 0.6° | 0.4° |
| N30 | C29 | C37 | C38 | 178.9° | 179.4° |
| N30 | C29 | C28 | H12 | 0.1° | 0.1° |
| C29 | N30 | C31 | H22 | 39.7° | 63.3° |
| C29 | N30 | C31 | H23 | 79.4° | 56.8° |
| C29 | N30 | C36 | H32 | 75.9° | 56.9° |
| C29 | N30 | C36 | H33 | 43.7° | 63.2° |
| C29 | C28 | C27 | H12 | 180.0° | 179.9° |
| C28 | C29 | C37 | C11 | 180.0° | 179.7° |
| C28 | C29 | C37 | C38 | 0.6° | 0.6° |
| C29 | C28 | C27 | C26 | 0.9° | 0.9° |
| C29 | C28 | C27 | H21 | 179.1° | 179.1° |
| C37 | C29 | C28 | C27 | 0.5° | 0.2° |
| C29 | C37 | C11 | C38 | 179.4° | 179.7° |
| C29 | C37 | C11 | O10 | 141.3° | 99.2° |
| C29 | C37 | C38 | C26 | 1.5° | 0.7° |
| C37 | C29 | C28 | H12 | 179.5° | 179.9° |
| C29 | C37 | C11 | H16 | 20.2° | 20.6° |
| C29 | C37 | C11 | H17 | 97.6° | 141.1° |
| C29 | C37 | C38 | H34 | 178.5° | 179.3° |
| C28 | C27 | C26 | H21 | 180.0° | 180.0° |
| C28 | C27 | C26 | C38 | 0.0° | 0.9° |
| C28 | C27 | C26 | N25 | 178.2° | 179.8° |
| C37 | C11 | O10 | H16 | 121.1° | 119.8° |
| C37 | C11 | O10 | H17 | 121.1° | 119.7° |
| C11 | C37 | C38 | C26 | 179.0° | 179.6° |
| C37 | C11 | O10 | C09 | 80.1° | 158.0° |
| C37 | C11 | H16 | H17 | 116.6° | 120.4° |
| C11 | C37 | C38 | H34 | 1.0° | 0.4° |
| O10 | C11 | C37 | C38 | 39.3° | 80.5° |
| C11 | O10 | C09 | C08 | 150.9° | 96.5° |
| C11 | O10 | C09 | H14 | 31.4° | 143.4° |
| C11 | O10 | C09 | H15 | 89.7° | 23.5° |
| O10 | C11 | H16 | H17 | 116.6° | 120.4° |
| C37 | C38 | C26 | C27 | 1.2° | 0.1° |
| C37 | C38 | C26 | H34 | 180.0° | 180.0° |
| C37 | C38 | C26 | N25 | 179.4° | 178.9° |
| C38 | C37 | C11 | H16 | 160.4° | 159.7° |
| C38 | C37 | C11 | H17 | 81.8° | 39.2° |
| C27 | C26 | C38 | N25 | 178.2° | 178.8° |
| C27 | C26 | N25 | C24 | 130.7° | 167.1° |
| C26 | C27 | C28 | H12 | 179.2° | 179.2° |
| C27 | C26 | N25 | H20 | 49.3° | 12.9° |
| C27 | C26 | C38 | H34 | 178.8° | 179.9° |
| C38 | C26 | N25 | C24 | 51.2° | 14.0° |
| C38 | C26 | N25 | H20 | 128.8° | 165.9° |
| C38 | C26 | C27 | H21 | 180.0° | 179.1° |
| O10 | C09 | C08 | H14 | 119.4° | 120.1° |
| O10 | C09 | C08 | H15 | 119.4° | 120.1° |
| O10 | C09 | C08 | C12 | 101.7° | 168.6° |
| O10 | C09 | C08 | C07 | 73.1° | 11.4° |
| O10 | C09 | H14 | H15 | 121.7° | 119.9° |
| C09 | O10 | C11 | H16 | 40.9° | 82.2° |
| C09 | O10 | C11 | H17 | 158.8° | 38.3° |
| C26 | N25 | C24 | H20 | 180.0° | 179.9° |
| C26 | N25 | C24 | N23 | 17.3° | 3.7° |
| C26 | N25 | C24 | N39 | 164.0° | 178.1° |
| N25 | C26 | C27 | H21 | 1.8° | 0.3° |
| N25 | C26 | C38 | H34 | 0.6° | 1.1° |
| N25 | C24 | N23 | N39 | 178.6° | 178.0° |
| N25 | C24 | N23 | C04 | 178.6° | 176.5° |
| N25 | C24 | N39 | C40 | 179.1° | 176.7° |
| C09 | C08 | C12 | C07 | 175.0° | 179.9° |
| C09 | C08 | C12 | C13 | 177.3° | 180.0° |
| C09 | C08 | C07 | C06 | 179.5° | 179.8° |
| C09 | C08 | C07 | H13 | 0.5° | 0.0° |
| C08 | C09 | H14 | H15 | 121.7° | 119.8° |
| C09 | C08 | C12 | H18 | 2.7° | 0.0° |
| N23 | C24 | N39 | C40 | 2.2° | 1.4° |
| C24 | N23 | C04 | C03 | 1.4° | 0.1° |
| C24 | N23 | C04 | N05 | 175.3° | 179.7° |
| N23 | C24 | N25 | H20 | 162.7° | 176.3° |
| N39 | C24 | N23 | C04 | 2.7° | 1.5° |
| C24 | N39 | C40 | C03 | 0.4° | 0.0° |
| N39 | C24 | N25 | H20 | 16.0° | 1.9° |
| C24 | N39 | C40 | H35 | 179.6° | 179.9° |
| C08 | C12 | C13 | H18 | 180.0° | 180.0° |
| C12 | C08 | C07 | C06 | 5.4° | 0.2° |
| C08 | C12 | C13 | C14 | 178.3° | 180.0° |
| C08 | C12 | C13 | N18 | 0.7° | 0.3° |
| C12 | C08 | C07 | H13 | 174.6° | 179.9° |
| C12 | C08 | C09 | H14 | 138.9° | 48.4° |
| C12 | C08 | C09 | H15 | 17.7° | 71.4° |
| C07 | C08 | C12 | C13 | 2.3° | 0.1° |
| C08 | C07 | C06 | H13 | 180.0° | 179.8° |
| C08 | C07 | C06 | N05 | 173.7° | 179.6° |
| C08 | C07 | C06 | N18 | 6.7° | 0.1° |
| C07 | C08 | C09 | H14 | 46.3° | 131.5° |
| C07 | C08 | C09 | H15 | 167.4° | 108.7° |
| C07 | C08 | C12 | H18 | 177.7° | 180.0° |
| N23 | C04 | C03 | N05 | 177.3° | 179.7° |
| N23 | C04 | C03 | C40 | 0.2° | 1.2° |
| N23 | C04 | N05 | C06 | 11.9° | 1.5° |
| N23 | C04 | C03 | C02 | 179.6° | 179.1° |
| N23 | C04 | N05 | N19 | 178.0° | 178.7° |
| N39 | C40 | C03 | C04 | 0.7° | 1.3° |
| N39 | C40 | C03 | H35 | 180.0° | 179.9° |
| N39 | C40 | C03 | C02 | 179.9° | 179.1° |
| C12 | C13 | C14 | C17 | 31.8° | 175.3° |
| C12 | C13 | C14 | N18 | 179.0° | 179.7° |
| C12 | C13 | N18 | C06 | 1.9° | 0.4° |
| C12 | C13 | C14 | O16 | 146.3° | 55.3° |
| C12 | C13 | C14 | C15 | 93.3° | 64.7° |
| C07 | C06 | N05 | C04 | 22.9° | 4.9° |
| C07 | C06 | N18 | C13 | 4.7° | 0.1° |
| C07 | C06 | N05 | N18 | 166.6° | 179.7° |
| C07 | C06 | N05 | N19 | 173.8° | 175.3° |
| C17 | C14 | C13 | O16 | 114.5° | 120.0° |
| C17 | C14 | C13 | C15 | 125.1° | 120.0° |
| C17 | C14 | C13 | N18 | 149.1° | 5.0° |
| C17 | C14 | O16 | C15 | 117.4° | 120.0° |
| C17 | C14 | C15 | H1 | 180.0° | 60.0° |
| C17 | C14 | C15 | H2 | 60.0° | 60.0° |
| C17 | C14 | C15 | H3 | 60.0° | 180.0° |
| C14 | C17 | H4 | H5 | 120.0° | 119.9° |
| C14 | C17 | H4 | H6 | 120.0° | 120.0° |
| C14 | C17 | H5 | H6 | 120.0° | 119.9° |
| C17 | C14 | O16 | H19 | 180.0° | 60.0° |
| C04 | C03 | C40 | C02 | 179.2° | 179.6° |
| C03 | C04 | N05 | C06 | 171.1° | 178.1° |
| C03 | C04 | N05 | N19 | 5.1° | 1.8° |
| C04 | C03 | C02 | N19 | 0.4° | 0.3° |
| C04 | C03 | C02 | O01 | 180.0° | 179.6° |
| C04 | C03 | C40 | H35 | 179.3° | 178.6° |
| N05 | C04 | C03 | C40 | 177.5° | 178.4° |
| C04 | N05 | C06 | N19 | 163.3° | 179.8° |
| C04 | N05 | C06 | N18 | 143.7° | 175.4° |
| N05 | C04 | C03 | C02 | 3.0° | 1.3° |
| C04 | N05 | N19 | C02 | 5.3° | 1.6° |
| C04 | N05 | N19 | C20 | 179.6° | 178.4° |
| C40 | C03 | C02 | N19 | 178.8° | 179.3° |
| C40 | C03 | C02 | O01 | 0.8° | 0.7° |
| C14 | C13 | N18 | C06 | 177.0° | 179.9° |
| C13 | C14 | O16 | C15 | 122.3° | 120.0° |
| C13 | C14 | C15 | H1 | 52.4° | 60.0° |
| C13 | C14 | C15 | H2 | 67.5° | 180.0° |
| C13 | C14 | C15 | H3 | 172.4° | 60.0° |
| C13 | C14 | C17 | H4 | 180.0° | 60.0° |
| C13 | C14 | C17 | H5 | 60.0° | 180.0° |
| C13 | C14 | C17 | H6 | 60.0° | 60.1° |
| C14 | C13 | C12 | H18 | 1.7° | 0.0° |
| C13 | C14 | O16 | H19 | 59.7° | 180.0° |
| C13 | N18 | C06 | N05 | 171.4° | 179.9° |
| N18 | C13 | C14 | O16 | 34.6° | 125.0° |
| N18 | C13 | C14 | C15 | 85.7° | 115.0° |
| N18 | C13 | C12 | H18 | 179.3° | 179.7° |
| C06 | N05 | N19 | C02 | 171.5° | 178.2° |
| C06 | N05 | N19 | C20 | 14.2° | 1.7° |
| N05 | C06 | C07 | H13 | 6.3° | 0.2° |
| N18 | C06 | N05 | N19 | 19.6° | 4.4° |
| N18 | C06 | C07 | H13 | 173.3° | 179.9° |
| O16 | C14 | C15 | H1 | 65.1° | 180.0° |
| O16 | C14 | C15 | H2 | 175.0° | 60.0° |
| O16 | C14 | C15 | H3 | 54.9° | 60.0° |
| O16 | C14 | C17 | H4 | 65.4° | 59.9° |
| O16 | C14 | C17 | H5 | 174.5° | 60.0° |
| O16 | C14 | C17 | H6 | 54.6° | 179.9° |
| C14 | C15 | H1 | H2 | 120.0° | 120.0° |
| C14 | C15 | H1 | H3 | 120.0° | 120.0° |
| C14 | C15 | H2 | H3 | 120.0° | 120.0° |
| C15 | C14 | C17 | H4 | 52.7° | 179.9° |
| C15 | C14 | C17 | H5 | 67.3° | 60.0° |
| C15 | C14 | C17 | H6 | 172.7° | 59.9° |
| C15 | C14 | O16 | H19 | 62.6° | 60.0° |
| C03 | C02 | N19 | N05 | 3.6° | 0.7° |
| C03 | C02 | N19 | O01 | 179.7° | 179.9° |
| C03 | C02 | N19 | C20 | 178.5° | 179.3° |
| C02 | C03 | C40 | H35 | 0.1° | 1.0° |
| N05 | N19 | C02 | C20 | 174.9° | 180.0° |
| N05 | N19 | C02 | O01 | 176.7° | 179.3° |
| N05 | N19 | C20 | C21 | 83.2° | 86.0° |
| N05 | N19 | C20 | H7 | 36.8° | 34.0° |
| N05 | N19 | C20 | H8 | 156.8° | 154.0° |
| C02 | N19 | C20 | C21 | 90.5° | 94.0° |
| C02 | N19 | C20 | H7 | 149.5° | 146.0° |
| C02 | N19 | C20 | H8 | 29.5° | 26.0° |
| O01 | C02 | N19 | C20 | 1.9° | 0.6° |
| N19 | C20 | C21 | H7 | 120.0° | 120.0° |
| N19 | C20 | C21 | H8 | 120.0° | 119.9° |
| N19 | C20 | C21 | C22 | 55.4° | 125.0° |
| N19 | C20 | H7 | H8 | 120.0° | 120.0° |
| N19 | C20 | C21 | H9 | 124.6° | 55.0° |
| C20 | C21 | C22 | H9 | 180.0° | 180.0° |
| C21 | C20 | H7 | H8 | 120.0° | 120.0° |
| C20 | C21 | C22 | H10 | 180.0° | 0.1° |
| C20 | C21 | C22 | H11 | 0.0° | 180.0° |
| C22 | C21 | C20 | H7 | 175.4° | 115.0° |
| C22 | C21 | C20 | H8 | 64.6° | 5.1° |
| C21 | C22 | H10 | H11 | 179.9° | 180.0° |
| H1 | C15 | H2 | H3 | 120.0° | 120.0° |
| H4 | C17 | H5 | H6 | 120.0° | 120.1° |
| H7 | C20 | C21 | H9 | 4.6° | 65.0° |
| H8 | C20 | C21 | H9 | 115.4° | 175.0° |
| H9 | C21 | C22 | H10 | 0.0° | 180.0° |
| H9 | C21 | C22 | H11 | 180.0° | 0.0° |
| H12 | C28 | C27 | H21 | 0.9° | 0.8° |
| H22 | C31 | C32 | H24 | 60.7° | 58.4° |
| H22 | C31 | C32 | H25 | 58.5° | 178.4° |
| H23 | C31 | C32 | H24 | 179.8° | 61.7° |
| H23 | C31 | C32 | H25 | 60.6° | 58.4° |
| H27 | C34 | H28 | H29 | 120.0° | 120.0° |
| H30 | C35 | C36 | H32 | 64.2° | 61.7° |
| H30 | C35 | C36 | H33 | 55.4° | 58.4° |
| H31 | C35 | C36 | H32 | 176.3° | 58.4° |
| H31 | C35 | C36 | H33 | 64.1° | 178.5° |
