5AW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C34 | C33 | sing | 1.53Å | 1.53Å | |
| C02 | C03 | sing | 1.53Å | 1.53Å | |
| C02 | C04 | sing | 1.51Å | 1.49Å | |
| C02 | C01 | sing | 1.53Å | 1.53Å | |
| S37 | C04 | sing | 1.71Å | 1.73Å | Aromatic |
| S37 | C36 | sing | 1.76Å | 1.73Å | Aromatic |
| O15 | C14 | doub | 1.21Å | 1.23Å | |
| C04 | N05 | doub | 1.29Å | 1.36Å | Aromatic |
| C36 | C06 | doub | 1.34Å | 1.41Å | Aromatic |
| C33 | C13 | sing | 1.53Å | 1.54Å | |
| C33 | C35 | sing | 1.53Å | 1.53Å | |
| O11 | C10 | doub | 1.22Å | 1.22Å | |
| C13 | C14 | sing | 1.51Å | 1.54Å | |
| C13 | N12 | sing | 1.46Å | 1.48Å | |
| C14 | N16 | sing | 1.35Å | 1.37Å | |
| N05 | C06 | sing | 1.32Å | 1.38Å | Aromatic |
| C06 | C07 | sing | 1.51Å | 1.52Å | |
| C10 | N12 | sing | 1.35Å | 1.36Å | |
| C10 | N08 | sing | 1.35Å | 1.35Å | |
| C18 | C17 | sing | 1.53Å | 1.54Å | |
| C31 | S32 | sing | 1.71Å | 1.74Å | Aromatic |
| C31 | N30 | doub | 1.29Å | 1.35Å | Aromatic |
| N08 | C07 | sing | 1.47Å | 1.46Å | |
| N08 | C09 | sing | 1.46Å | 1.46Å | |
| N16 | C17 | sing | 1.47Å | 1.49Å | |
| S32 | C28 | sing | 1.76Å | 1.69Å | Aromatic |
| C17 | C19 | sing | 1.53Å | 1.55Å | |
| C19 | C20 | sing | 1.53Å | 1.55Å | |
| C20 | C21 | sing | 1.53Å | 1.55Å | |
| O25 | C24 | doub | 1.22Å | 1.22Å | |
| N30 | C29 | sing | 1.32Å | 1.39Å | Aromatic |
| N23 | C24 | sing | 1.35Å | 1.35Å | |
| N23 | C21 | sing | 1.47Å | 1.47Å | |
| C24 | O26 | sing | 1.35Å | 1.47Å | |
| C28 | C29 | doub | 1.34Å | 1.40Å | Aromatic |
| C28 | C27 | sing | 1.51Å | 1.52Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| O26 | C27 | sing | 1.45Å | 1.44Å | |
| C27 | H1 | sing | 1.09Å | 1.10Å | |
| C27 | H2 | sing | 1.09Å | 1.10Å | |
| C31 | H3 | sing | 1.08Å | 1.08Å | |
| C29 | H4 | sing | 1.08Å | 1.08Å | |
| N23 | H5 | sing | 0.97Å | 1.00Å | |
| C21 | H6 | sing | 1.09Å | 1.10Å | |
| C22 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| N16 | H18 | sing | 0.97Å | 1.00Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C33 | H20 | sing | 1.09Å | 1.10Å | |
| C35 | H21 | sing | 1.09Å | 1.10Å | |
| C35 | H22 | sing | 1.09Å | 1.10Å | |
| C35 | H23 | sing | 1.09Å | 1.10Å | |
| C34 | H24 | sing | 1.09Å | 1.10Å | |
| C34 | H25 | sing | 1.09Å | 1.10Å | |
| C34 | H26 | sing | 1.09Å | 1.10Å | |
| N12 | H27 | sing | 0.97Å | 1.00Å | |
| C09 | H28 | sing | 1.09Å | 1.10Å | |
| C09 | H29 | sing | 1.09Å | 1.10Å | |
| C09 | H30 | sing | 1.09Å | 1.10Å | |
| C07 | H31 | sing | 1.09Å | 1.10Å | |
| C07 | H32 | sing | 1.09Å | 1.10Å | |
| C36 | H33 | sing | 1.08Å | 1.08Å | |
| C02 | H34 | sing | 1.09Å | 1.10Å | |
| C03 | H35 | sing | 1.09Å | 1.10Å | |
| C03 | H36 | sing | 1.09Å | 1.10Å | |
| C03 | H37 | sing | 1.09Å | 1.10Å | |
| C01 | H38 | sing | 1.09Å | 1.10Å | |
| C01 | H39 | sing | 1.09Å | 1.10Å | |
| C01 | H40 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C34 | C33 | C13 | 112.7° | 109.5° |
| C34 | C33 | C35 | 109.8° | 109.5° |
| C34 | C33 | H20 | 106.6° | 109.5° |
| C33 | C34 | H24 | 109.5° | 109.5° |
| C33 | C34 | H25 | 109.4° | 109.5° |
| C33 | C34 | H26 | 109.5° | 109.5° |
| C03 | C02 | C04 | 110.7° | 109.5° |
| C03 | C02 | C01 | 110.6° | 109.5° |
| C03 | C02 | H34 | 108.5° | 109.5° |
| C02 | C03 | H35 | 109.5° | 109.4° |
| C02 | C03 | H36 | 109.4° | 109.5° |
| C02 | C03 | H37 | 109.5° | 109.5° |
| C04 | C02 | C01 | 109.6° | 109.4° |
| C02 | C04 | S37 | 116.8° | 125.0° |
| C02 | C04 | N05 | 134.0° | 124.9° |
| C04 | C02 | H34 | 109.0° | 109.5° |
| C01 | C02 | H34 | 108.4° | 109.5° |
| C02 | C01 | H38 | 109.5° | 109.5° |
| C02 | C01 | H39 | 109.5° | 109.5° |
| C02 | C01 | H40 | 109.5° | 109.5° |
| C04 | S37 | C36 | 93.9° | 90.3° |
| S37 | C04 | N05 | 109.2° | 110.1° |
| S37 | C36 | C06 | 107.6° | 107.9° |
| S37 | C36 | H33 | 126.2° | 126.1° |
| O15 | C14 | C13 | 115.8° | 120.0° |
| O15 | C14 | N16 | 123.2° | 120.0° |
| C04 | N05 | C06 | 115.1° | 117.1° |
| C36 | C06 | N05 | 114.2° | 114.5° |
| C36 | C06 | C07 | 124.1° | 122.7° |
| C06 | C36 | H33 | 126.2° | 126.0° |
| C13 | C33 | C35 | 114.1° | 109.5° |
| C33 | C13 | C14 | 112.5° | 109.5° |
| C33 | C13 | N12 | 112.2° | 109.5° |
| C33 | C13 | H19 | 103.7° | 109.5° |
| C13 | C33 | H20 | 106.5° | 109.4° |
| C35 | C33 | H20 | 106.6° | 109.4° |
| C33 | C35 | H21 | 109.5° | 109.5° |
| C33 | C35 | H22 | 109.5° | 109.5° |
| C33 | C35 | H23 | 109.5° | 109.5° |
| O11 | C10 | N12 | 120.4° | 120.0° |
| O11 | C10 | N08 | 118.3° | 120.0° |
| C14 | C13 | N12 | 118.5° | 109.5° |
| C13 | C14 | N16 | 121.0° | 120.0° |
| C14 | C13 | H19 | 103.7° | 109.5° |
| C13 | N12 | C10 | 124.6° | 120.0° |
| N12 | C13 | H19 | 104.3° | 109.5° |
| C13 | N12 | H27 | 117.7° | 120.0° |
| C14 | N16 | C17 | 130.9° | 120.0° |
| C14 | N16 | H18 | 114.5° | 120.0° |
| N05 | C06 | C07 | 121.8° | 122.7° |
| C06 | C07 | N08 | 112.5° | 109.5° |
| C06 | C07 | H31 | 108.7° | 109.5° |
| C06 | C07 | H32 | 108.7° | 109.5° |
| N12 | C10 | N08 | 121.3° | 120.0° |
| C10 | N12 | H27 | 117.7° | 120.0° |
| C10 | N08 | C07 | 124.4° | 120.0° |
| C10 | N08 | C09 | 123.1° | 120.0° |
| C18 | C17 | N16 | 113.3° | 109.5° |
| C18 | C17 | C19 | 112.6° | 109.5° |
| C18 | C17 | H14 | 105.1° | 109.4° |
| C17 | C18 | H15 | 109.5° | 109.5° |
| C17 | C18 | H16 | 109.5° | 109.5° |
| C17 | C18 | H17 | 109.5° | 109.5° |
| S32 | C31 | N30 | 107.1° | 110.2° |
| C31 | S32 | C28 | 97.0° | 90.3° |
| S32 | C31 | H3 | 126.4° | 125.0° |
| C31 | N30 | C29 | 114.1° | 117.1° |
| N30 | C31 | H3 | 126.4° | 124.8° |
| C07 | N08 | C09 | 112.5° | 120.0° |
| N08 | C07 | H31 | 108.7° | 109.4° |
| N08 | C07 | H32 | 108.7° | 109.4° |
| N08 | C09 | H28 | 109.5° | 109.5° |
| N08 | C09 | H29 | 109.5° | 109.5° |
| N08 | C09 | H30 | 109.4° | 109.5° |
| N16 | C17 | C19 | 114.3° | 109.5° |
| N16 | C17 | H14 | 105.5° | 109.5° |
| C17 | N16 | H18 | 114.6° | 120.0° |
| S32 | C28 | C29 | 105.2° | 107.9° |
| S32 | C28 | C27 | 115.8° | 126.0° |
| C17 | C19 | C20 | 119.6° | 109.5° |
| C17 | C19 | H12 | 106.9° | 109.5° |
| C17 | C19 | H13 | 106.9° | 109.5° |
| C19 | C17 | H14 | 104.9° | 109.5° |
| C19 | C20 | C21 | 119.1° | 109.5° |
| C19 | C20 | H10 | 107.0° | 109.5° |
| C19 | C20 | H11 | 107.0° | 109.5° |
| C20 | C19 | H12 | 106.9° | 109.4° |
| C20 | C19 | H13 | 106.9° | 109.4° |
| C20 | C21 | N23 | 114.5° | 109.5° |
| C20 | C21 | C22 | 114.5° | 109.5° |
| C20 | C21 | H6 | 104.2° | 109.5° |
| C21 | C20 | H10 | 107.0° | 109.5° |
| C21 | C20 | H11 | 107.0° | 109.5° |
| O25 | C24 | N23 | 122.3° | 120.0° |
| O25 | C24 | O26 | 117.4° | 120.0° |
| N30 | C29 | C28 | 116.6° | 114.5° |
| N30 | C29 | H4 | 121.7° | 122.8° |
| C24 | N23 | C21 | 127.2° | 120.0° |
| N23 | C24 | O26 | 120.3° | 120.0° |
| C24 | N23 | H5 | 116.4° | 120.0° |
| N23 | C21 | C22 | 112.8° | 109.5° |
| C21 | N23 | H5 | 116.4° | 120.0° |
| N23 | C21 | H6 | 105.0° | 109.5° |
| C24 | O26 | C27 | 122.9° | 117.0° |
| C29 | C28 | C27 | 139.0° | 126.0° |
| C28 | C29 | H4 | 121.7° | 122.8° |
| C28 | C27 | O26 | 115.2° | 109.5° |
| C28 | C27 | H1 | 108.0° | 109.5° |
| C28 | C27 | H2 | 108.0° | 109.4° |
| C22 | C21 | H6 | 104.4° | 109.4° |
| C21 | C22 | H7 | 109.5° | 109.4° |
| C21 | C22 | H8 | 109.4° | 109.5° |
| C21 | C22 | H9 | 109.4° | 109.5° |
| O26 | C27 | H1 | 108.0° | 109.5° |
| O26 | C27 | H2 | 108.0° | 109.5° |
| H1 | C27 | H2 | 109.5° | 109.5° |
| H7 | C22 | H8 | 109.5° | 109.5° |
| H7 | C22 | H9 | 109.5° | 109.5° |
| H8 | C22 | H9 | 109.5° | 109.5° |
| H10 | C20 | H11 | 109.5° | 109.4° |
| H12 | C19 | H13 | 109.4° | 109.5° |
| H15 | C18 | H16 | 109.5° | 109.5° |
| H15 | C18 | H17 | 109.5° | 109.4° |
| H16 | C18 | H17 | 109.4° | 109.5° |
| H21 | C35 | H22 | 109.5° | 109.5° |
| H21 | C35 | H23 | 109.5° | 109.5° |
| H22 | C35 | H23 | 109.5° | 109.5° |
| H24 | C34 | H25 | 109.5° | 109.5° |
| H24 | C34 | H26 | 109.4° | 109.5° |
| H25 | C34 | H26 | 109.5° | 109.5° |
| H28 | C09 | H29 | 109.5° | 109.5° |
| H28 | C09 | H30 | 109.4° | 109.5° |
| H29 | C09 | H30 | 109.5° | 109.4° |
| H31 | C07 | H32 | 109.5° | 109.5° |
| H35 | C03 | H36 | 109.5° | 109.4° |
| H35 | C03 | H37 | 109.5° | 109.5° |
| H36 | C03 | H37 | 109.5° | 109.5° |
| H38 | C01 | H39 | 109.5° | 109.4° |
| H38 | C01 | H40 | 109.4° | 109.5° |
| H39 | C01 | H40 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C34 | C33 | C13 | C35 | 126.1° | 120.0° |
| C34 | C33 | C13 | H20 | 116.6° | 120.1° |
| C34 | C33 | C35 | H20 | 115.2° | 120.1° |
| C34 | C33 | C13 | C14 | 135.9° | 54.8° |
| C34 | C33 | C13 | N12 | 87.5° | 65.2° |
| C34 | C33 | C13 | H19 | 24.4° | 174.8° |
| C34 | C33 | C35 | H21 | 180.0° | 63.6° |
| C34 | C33 | C35 | H22 | 60.0° | 56.4° |
| C34 | C33 | C35 | H23 | 60.0° | 176.4° |
| C33 | C34 | H24 | H25 | 120.0° | 120.0° |
| C33 | C34 | H24 | H26 | 120.0° | 120.0° |
| C33 | C34 | H25 | H26 | 120.0° | 120.0° |
| C03 | C02 | C04 | C01 | 122.2° | 120.0° |
| C03 | C02 | C04 | H34 | 119.2° | 120.1° |
| C03 | C02 | C01 | H34 | 118.8° | 120.1° |
| C03 | C02 | C04 | S37 | 150.0° | 60.0° |
| C03 | C02 | C04 | N05 | 30.1° | 120.0° |
| C02 | C03 | H35 | H36 | 120.0° | 119.9° |
| C02 | C03 | H35 | H37 | 120.0° | 120.1° |
| C02 | C03 | H36 | H37 | 120.0° | 120.1° |
| C03 | C02 | C01 | H38 | 180.0° | 60.0° |
| C03 | C02 | C01 | H39 | 60.0° | 180.0° |
| C03 | C02 | C01 | H40 | 60.0° | 60.0° |
| C04 | C02 | C01 | H34 | 118.9° | 120.0° |
| C02 | C04 | S37 | N05 | 179.9° | 180.0° |
| C02 | C04 | S37 | C36 | 179.9° | 180.0° |
| C02 | C04 | N05 | C06 | 179.9° | 179.9° |
| C04 | C02 | C03 | H35 | 180.0° | 180.0° |
| C04 | C02 | C03 | H36 | 60.0° | 60.1° |
| C04 | C02 | C03 | H37 | 60.0° | 60.0° |
| C04 | C02 | C01 | H38 | 57.7° | 60.0° |
| C04 | C02 | C01 | H39 | 177.7° | 60.0° |
| C04 | C02 | C01 | H40 | 62.3° | 180.0° |
| C01 | C02 | C04 | S37 | 87.8° | 60.0° |
| C01 | C02 | C04 | N05 | 92.1° | 120.0° |
| C01 | C02 | C03 | H35 | 58.3° | 60.1° |
| C01 | C02 | C03 | H36 | 178.3° | 180.0° |
| C01 | C02 | C03 | H37 | 61.7° | 60.0° |
| C02 | C01 | H38 | H39 | 120.0° | 120.0° |
| C02 | C01 | H38 | H40 | 120.0° | 120.0° |
| C02 | C01 | H39 | H40 | 120.0° | 120.0° |
| C04 | S37 | C36 | C06 | 0.0° | 0.2° |
| S37 | C04 | N05 | C06 | 0.0° | 0.2° |
| C04 | S37 | C36 | H33 | 180.0° | 179.9° |
| S37 | C04 | C02 | H34 | 30.8° | 180.0° |
| C36 | S37 | C04 | N05 | 0.0° | 0.0° |
| S37 | C36 | C06 | H33 | 180.0° | 180.0° |
| S37 | C36 | C06 | N05 | 0.0° | 0.3° |
| S37 | C36 | C06 | C07 | 179.9° | 180.0° |
| O15 | C14 | C13 | C33 | 83.6° | 92.7° |
| O15 | C14 | C13 | N16 | 178.9° | 180.0° |
| O15 | C14 | C13 | N12 | 142.8° | 27.3° |
| O15 | C14 | N16 | C17 | 7.2° | 5.1° |
| O15 | C14 | N16 | H18 | 172.8° | 174.9° |
| O15 | C14 | C13 | H19 | 27.9° | 147.3° |
| C04 | N05 | C06 | C36 | 0.0° | 0.3° |
| C04 | N05 | C06 | C07 | 179.9° | 180.0° |
| N05 | C04 | C02 | H34 | 149.3° | 0.0° |
| C36 | C06 | N05 | C07 | 179.9° | 179.7° |
| C36 | C06 | C07 | N08 | 19.3° | 94.7° |
| C36 | C06 | C07 | H31 | 101.2° | 25.3° |
| C36 | C06 | C07 | H32 | 139.7° | 145.4° |
| C13 | C33 | C35 | H20 | 117.3° | 119.9° |
| C33 | C13 | C14 | N12 | 133.7° | 120.0° |
| C33 | C13 | C14 | H19 | 111.4° | 120.0° |
| C33 | C13 | N12 | H19 | 111.6° | 120.0° |
| C33 | C13 | C14 | N16 | 97.6° | 87.3° |
| C33 | C13 | N12 | C10 | 86.2° | 85.0° |
| C13 | C33 | C35 | H21 | 52.4° | 56.4° |
| C13 | C33 | C35 | H22 | 67.6° | 176.5° |
| C13 | C33 | C35 | H23 | 172.4° | 63.6° |
| C13 | C33 | C34 | H24 | 180.0° | 60.0° |
| C13 | C33 | C34 | H25 | 60.0° | 180.0° |
| C13 | C33 | C34 | H26 | 60.0° | 60.0° |
| C33 | C13 | N12 | H27 | 93.8° | 94.9° |
| C35 | C33 | C13 | C14 | 98.0° | 65.2° |
| C35 | C33 | C13 | N12 | 38.6° | 174.8° |
| C35 | C33 | C13 | H19 | 150.5° | 54.8° |
| C33 | C35 | H21 | H22 | 120.0° | 120.0° |
| C33 | C35 | H21 | H23 | 120.0° | 120.0° |
| C33 | C35 | H22 | H23 | 120.0° | 120.0° |
| C35 | C33 | C34 | H24 | 51.7° | 180.0° |
| C35 | C33 | C34 | H25 | 68.3° | 60.0° |
| C35 | C33 | C34 | H26 | 171.7° | 60.0° |
| O11 | C10 | N12 | C13 | 51.9° | 0.0° |
| O11 | C10 | N12 | N08 | 179.3° | 180.0° |
| O11 | C10 | N08 | C07 | 129.0° | 0.0° |
| O11 | C10 | N08 | C09 | 50.1° | 180.0° |
| O11 | C10 | N12 | H27 | 128.0° | 179.9° |
| C14 | C13 | N12 | H19 | 114.6° | 120.0° |
| C14 | C13 | N12 | C10 | 140.0° | 155.0° |
| C13 | C14 | N16 | C17 | 174.0° | 175.0° |
| C13 | C14 | N16 | H18 | 6.0° | 5.1° |
| C14 | C13 | C33 | H20 | 19.3° | 174.9° |
| C14 | C13 | N12 | H27 | 40.0° | 25.1° |
| N12 | C13 | C14 | N16 | 36.1° | 152.7° |
| C13 | N12 | C10 | H27 | 180.0° | 179.9° |
| C13 | N12 | C10 | N08 | 128.8° | 180.0° |
| N12 | C13 | C33 | H20 | 155.9° | 54.9° |
| C14 | N16 | C17 | C18 | 44.0° | 85.0° |
| C14 | N16 | C17 | H18 | 180.0° | 180.0° |
| C14 | N16 | C17 | C19 | 86.8° | 155.0° |
| C14 | N16 | C17 | H14 | 158.4° | 35.0° |
| N16 | C14 | C13 | H19 | 151.0° | 32.7° |
| N05 | C06 | C07 | N08 | 160.9° | 85.0° |
| N05 | C06 | C07 | H31 | 78.7° | 155.1° |
| N05 | C06 | C07 | H32 | 40.4° | 35.0° |
| N05 | C06 | C36 | H33 | 180.0° | 179.8° |
| C06 | C07 | N08 | C10 | 95.9° | 90.0° |
| C06 | C07 | N08 | H31 | 120.5° | 120.0° |
| C06 | C07 | N08 | H32 | 120.4° | 120.0° |
| C06 | C07 | N08 | C09 | 83.3° | 90.0° |
| C06 | C07 | H31 | H32 | 118.6° | 120.1° |
| C07 | C06 | C36 | H33 | 0.1° | 0.1° |
| N12 | C10 | N08 | C07 | 51.7° | 180.0° |
| N12 | C10 | N08 | C09 | 129.2° | 0.1° |
| C10 | N12 | C13 | H19 | 25.4° | 35.0° |
| C10 | N08 | C07 | C09 | 179.2° | 180.0° |
| N08 | C10 | N12 | H27 | 51.2° | 0.1° |
| C10 | N08 | C09 | H28 | 180.0° | 90.0° |
| C10 | N08 | C09 | H29 | 60.0° | 150.0° |
| C10 | N08 | C09 | H30 | 60.0° | 30.0° |
| C10 | N08 | C07 | H31 | 143.6° | 150.0° |
| C10 | N08 | C07 | H32 | 24.6° | 30.0° |
| C18 | C17 | N16 | C19 | 130.8° | 120.0° |
| C18 | C17 | N16 | H14 | 114.4° | 120.0° |
| C18 | C17 | C19 | H14 | 113.8° | 120.0° |
| C18 | C17 | C19 | C20 | 38.6° | 175.0° |
| C18 | C17 | C19 | H12 | 82.9° | 65.0° |
| C18 | C17 | C19 | H13 | 160.1° | 55.0° |
| C17 | C18 | H15 | H16 | 120.0° | 120.0° |
| C17 | C18 | H15 | H17 | 120.0° | 120.0° |
| C17 | C18 | H16 | H17 | 120.0° | 120.0° |
| C18 | C17 | N16 | H18 | 136.0° | 95.0° |
| S32 | C31 | N30 | H3 | 180.0° | 179.9° |
| S32 | C31 | N30 | C29 | 1.2° | 0.0° |
| C31 | S32 | C28 | C29 | 1.1° | 0.0° |
| C31 | S32 | C28 | C27 | 180.0° | 179.7° |
| N30 | C31 | S32 | C28 | 1.4° | 0.0° |
| C31 | N30 | C29 | C28 | 0.4° | 0.0° |
| C31 | N30 | C29 | H4 | 179.6° | 179.7° |
| C07 | N08 | C09 | H28 | 0.8° | 90.0° |
| C07 | N08 | C09 | H29 | 120.8° | 30.0° |
| C07 | N08 | C09 | H30 | 119.2° | 150.0° |
| N08 | C07 | H31 | H32 | 118.6° | 119.9° |
| N08 | C09 | H28 | H29 | 120.0° | 120.0° |
| N08 | C09 | H28 | H30 | 120.0° | 120.0° |
| N08 | C09 | H29 | H30 | 120.0° | 120.0° |
| C09 | N08 | C07 | H31 | 37.2° | 30.0° |
| C09 | N08 | C07 | H32 | 156.2° | 150.0° |
| N16 | C17 | C19 | H14 | 115.1° | 120.0° |
| N16 | C17 | C19 | C20 | 169.8° | 65.0° |
| N16 | C17 | C19 | H12 | 48.3° | 55.0° |
| N16 | C17 | C19 | H13 | 68.8° | 175.0° |
| N16 | C17 | C18 | H15 | 180.0° | 60.0° |
| N16 | C17 | C18 | H16 | 60.0° | 180.0° |
| N16 | C17 | C18 | H17 | 60.0° | 60.0° |
| S32 | C28 | C29 | N30 | 0.6° | 0.0° |
| S32 | C28 | C29 | C27 | 178.4° | 179.7° |
| S32 | C28 | C27 | O26 | 85.7° | 89.7° |
| S32 | C28 | C27 | H1 | 153.4° | 150.3° |
| S32 | C28 | C27 | H2 | 35.1° | 30.3° |
| C28 | S32 | C31 | H3 | 178.6° | 180.0° |
| S32 | C28 | C29 | H4 | 179.4° | 179.7° |
| C17 | C19 | C20 | H12 | 121.4° | 120.0° |
| C17 | C19 | C20 | H13 | 121.4° | 120.1° |
| C17 | C19 | C20 | C21 | 130.7° | 180.0° |
| C17 | C19 | C20 | H10 | 9.4° | 60.0° |
| C17 | C19 | C20 | H11 | 107.9° | 60.0° |
| C17 | C19 | H12 | H13 | 115.4° | 120.1° |
| C19 | C17 | C18 | H15 | 48.3° | 60.0° |
| C19 | C17 | C18 | H16 | 168.3° | 60.0° |
| C19 | C17 | C18 | H17 | 71.7° | 180.0° |
| C19 | C17 | N16 | H18 | 93.1° | 25.0° |
| C19 | C20 | C21 | H10 | 121.4° | 120.0° |
| C19 | C20 | C21 | H11 | 121.4° | 120.0° |
| C19 | C20 | C21 | N23 | 101.1° | 65.0° |
| C19 | C20 | C21 | C22 | 31.5° | 175.0° |
| C19 | C20 | C21 | H6 | 144.8° | 55.0° |
| C19 | C20 | H10 | H11 | 115.6° | 120.0° |
| C20 | C19 | H12 | H13 | 115.4° | 119.9° |
| C20 | C19 | C17 | H14 | 75.2° | 55.0° |
| C20 | C21 | N23 | C24 | 101.8° | 155.0° |
| C20 | C21 | N23 | C22 | 133.3° | 120.0° |
| C20 | C21 | N23 | H6 | 113.6° | 120.0° |
| C20 | C21 | C22 | H6 | 113.2° | 120.0° |
| C20 | C21 | N23 | H5 | 78.2° | 25.0° |
| C20 | C21 | C22 | H7 | 180.0° | 60.0° |
| C20 | C21 | C22 | H8 | 60.0° | 60.0° |
| C20 | C21 | C22 | H9 | 60.0° | 180.0° |
| C21 | C20 | H10 | H11 | 115.7° | 120.0° |
| C21 | C20 | C19 | H12 | 107.8° | 60.0° |
| C21 | C20 | C19 | H13 | 9.3° | 59.9° |
| O25 | C24 | N23 | O26 | 178.4° | 179.7° |
| O25 | C24 | N23 | C21 | 69.8° | 0.0° |
| O25 | C24 | O26 | C27 | 3.9° | 0.0° |
| O25 | C24 | N23 | H5 | 110.2° | 179.9° |
| N30 | C29 | C28 | H4 | 180.0° | 179.7° |
| N30 | C29 | C28 | C27 | 179.0° | 179.7° |
| C29 | N30 | C31 | H3 | 178.8° | 180.0° |
| C24 | N23 | C21 | H5 | 180.0° | 179.9° |
| C24 | N23 | C21 | C22 | 31.5° | 85.0° |
| N23 | C24 | O26 | C27 | 174.6° | 179.7° |
| C24 | N23 | C21 | H6 | 144.6° | 35.0° |
| C21 | N23 | C24 | O26 | 111.8° | 179.7° |
| N23 | C21 | C22 | H6 | 113.4° | 120.0° |
| N23 | C21 | C22 | H7 | 46.6° | 60.0° |
| N23 | C21 | C22 | H8 | 73.4° | 180.0° |
| N23 | C21 | C22 | H9 | 166.6° | 60.0° |
| N23 | C21 | C20 | H10 | 137.6° | 175.0° |
| N23 | C21 | C20 | H11 | 20.3° | 55.0° |
| C24 | O26 | C27 | C28 | 110.7° | 180.0° |
| C24 | O26 | C27 | H1 | 128.5° | 60.0° |
| C24 | O26 | C27 | H2 | 10.1° | 60.0° |
| O26 | C24 | N23 | H5 | 68.2° | 0.3° |
| C29 | C28 | C27 | O26 | 96.0° | 90.0° |
| C29 | C28 | C27 | H1 | 24.9° | 30.0° |
| C29 | C28 | C27 | H2 | 143.2° | 150.0° |
| C28 | C27 | O26 | H1 | 120.8° | 120.0° |
| C28 | C27 | O26 | H2 | 120.8° | 120.0° |
| C28 | C27 | H1 | H2 | 117.4° | 120.0° |
| C27 | C28 | C29 | H4 | 1.0° | 0.0° |
| C22 | C21 | N23 | H5 | 148.5° | 95.1° |
| C21 | C22 | H7 | H8 | 120.0° | 120.0° |
| C21 | C22 | H7 | H9 | 120.0° | 120.0° |
| C21 | C22 | H8 | H9 | 120.0° | 120.0° |
| C22 | C21 | C20 | H10 | 89.9° | 55.0° |
| C22 | C21 | C20 | H11 | 152.9° | 65.0° |
| O26 | C27 | H1 | H2 | 117.4° | 120.0° |
| H5 | N23 | C21 | H6 | 35.4° | 145.0° |
| H6 | C21 | C22 | H7 | 66.8° | 180.0° |
| H6 | C21 | C22 | H8 | 173.2° | 60.0° |
| H6 | C21 | C22 | H9 | 53.2° | 60.0° |
| H6 | C21 | C20 | H10 | 23.5° | 65.0° |
| H6 | C21 | C20 | H11 | 93.8° | 175.0° |
| H7 | C22 | H8 | H9 | 120.0° | 120.0° |
| H10 | C20 | C19 | H12 | 130.8° | 180.0° |
| H10 | C20 | C19 | H13 | 112.0° | 60.1° |
| H11 | C20 | C19 | H12 | 13.6° | 60.1° |
| H11 | C20 | C19 | H13 | 130.7° | 180.0° |
| H12 | C19 | C17 | H14 | 163.4° | 175.0° |
| H13 | C19 | C17 | H14 | 46.3° | 65.0° |
| H14 | C17 | C18 | H15 | 65.3° | 180.0° |
| H14 | C17 | C18 | H16 | 54.7° | 60.0° |
| H14 | C17 | C18 | H17 | 174.7° | 60.0° |
| H14 | C17 | N16 | H18 | 21.6° | 145.0° |
| H15 | C18 | H16 | H17 | 120.0° | 119.9° |
| H19 | C13 | C33 | H20 | 92.2° | 65.1° |
| H19 | C13 | N12 | H27 | 154.6° | 145.1° |
| H20 | C33 | C35 | H21 | 64.8° | 176.4° |
| H20 | C33 | C35 | H22 | 175.2° | 63.6° |
| H20 | C33 | C35 | H23 | 55.2° | 56.4° |
| H20 | C33 | C34 | H24 | 63.5° | 60.0° |
| H20 | C33 | C34 | H25 | 176.5° | 60.0° |
| H20 | C33 | C34 | H26 | 56.5° | 180.0° |
| H21 | C35 | H22 | H23 | 120.0° | 120.0° |
| H24 | C34 | H25 | H26 | 120.0° | 120.0° |
| H28 | C09 | H29 | H30 | 120.0° | 120.0° |
| H34 | C02 | C03 | H35 | 60.5° | 59.9° |
| H34 | C02 | C03 | H36 | 59.5° | 60.0° |
| H34 | C02 | C03 | H37 | 179.5° | 180.0° |
| H34 | C02 | C01 | H38 | 61.2° | 180.0° |
| H34 | C02 | C01 | H39 | 58.8° | 60.0° |
| H34 | C02 | C01 | H40 | 178.8° | 60.0° |
| H35 | C03 | H36 | H37 | 120.0° | 120.0° |
| H38 | C01 | H39 | H40 | 119.9° | 120.0° |
