1RD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S35 | C34 | sing | 1.76Å | 1.74Å | Aromatic |
| S35 | C04 | sing | 1.71Å | 1.72Å | Aromatic |
| C34 | C06 | doub | 1.34Å | 1.40Å | Aromatic |
| C09 | N08 | sing | 1.47Å | 1.46Å | |
| C02 | C04 | sing | 1.51Å | 1.48Å | |
| C02 | C03 | sing | 1.53Å | 1.52Å | |
| C02 | C01 | sing | 1.53Å | 1.50Å | |
| C04 | N05 | doub | 1.29Å | 1.36Å | Aromatic |
| C06 | N05 | sing | 1.32Å | 1.39Å | Aromatic |
| C06 | C07 | sing | 1.51Å | 1.52Å | |
| N08 | C07 | sing | 1.46Å | 1.48Å | |
| N08 | C10 | sing | 1.35Å | 1.34Å | |
| O11 | C10 | doub | 1.22Å | 1.23Å | |
| O15 | C14 | doub | 1.21Å | 1.22Å | |
| C10 | N12 | sing | 1.35Å | 1.36Å | |
| C17 | N16 | sing | 1.47Å | 1.46Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| N12 | C13 | sing | 1.47Å | 1.46Å | |
| C14 | N16 | sing | 1.35Å | 1.33Å | |
| C14 | C13 | sing | 1.51Å | 1.51Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C13 | C31 | sing | 1.53Å | 1.53Å | |
| O23 | C22 | doub | 1.22Å | 1.21Å | |
| C25 | O24 | sing | 1.45Å | 1.45Å | |
| C25 | C26 | sing | 1.51Å | 1.52Å | |
| C32 | C31 | sing | 1.53Å | 1.53Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C31 | C33 | sing | 1.53Å | 1.53Å | |
| C22 | O24 | sing | 1.35Å | 1.45Å | |
| C22 | N21 | sing | 1.35Å | 1.33Å | |
| C27 | C26 | doub | 1.34Å | 1.39Å | Aromatic |
| C27 | N28 | sing | 1.32Å | 1.37Å | Aromatic |
| C26 | S30 | sing | 1.76Å | 1.72Å | Aromatic |
| C20 | N21 | sing | 1.47Å | 1.47Å | |
| N28 | C29 | doub | 1.29Å | 1.36Å | Aromatic |
| S30 | C29 | sing | 1.71Å | 1.73Å | Aromatic |
| C25 | H1 | sing | 1.09Å | 1.10Å | |
| C25 | H2 | sing | 1.09Å | 1.10Å | |
| C29 | H3 | sing | 1.08Å | 1.08Å | |
| C27 | H4 | sing | 1.08Å | 1.08Å | |
| N21 | H5 | sing | 0.97Å | 1.00Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C20 | H7 | sing | 1.09Å | 1.10Å | |
| C19 | H8 | sing | 1.09Å | 1.10Å | |
| C19 | H9 | sing | 1.09Å | 1.10Å | |
| C18 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| N16 | H14 | sing | 0.97Å | 1.00Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C31 | H16 | sing | 1.09Å | 1.10Å | |
| C33 | H17 | sing | 1.09Å | 1.10Å | |
| C33 | H18 | sing | 1.09Å | 1.10Å | |
| C33 | H19 | sing | 1.09Å | 1.10Å | |
| C32 | H20 | sing | 1.09Å | 1.10Å | |
| C32 | H21 | sing | 1.09Å | 1.10Å | |
| C32 | H22 | sing | 1.09Å | 1.10Å | |
| N12 | H23 | sing | 0.97Å | 1.00Å | |
| C09 | H24 | sing | 1.09Å | 1.10Å | |
| C09 | H25 | sing | 1.09Å | 1.10Å | |
| C09 | H26 | sing | 1.09Å | 1.10Å | |
| C07 | H27 | sing | 1.09Å | 1.10Å | |
| C07 | H28 | sing | 1.09Å | 1.10Å | |
| C34 | H29 | sing | 1.08Å | 1.08Å | |
| C02 | H30 | sing | 1.09Å | 1.10Å | |
| C03 | H31 | sing | 1.09Å | 1.10Å | |
| C03 | H32 | sing | 1.09Å | 1.10Å | |
| C03 | H33 | sing | 1.09Å | 1.10Å | |
| C01 | H34 | sing | 1.09Å | 1.10Å | |
| C01 | H35 | sing | 1.09Å | 1.10Å | |
| C01 | H36 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C34 | S35 | C04 | 93.7° | 90.3° |
| S35 | C34 | C06 | 108.0° | 107.9° |
| S35 | C34 | H29 | 126.0° | 126.0° |
| S35 | C04 | C02 | 114.3° | 124.9° |
| S35 | C04 | N05 | 109.4° | 110.2° |
| C34 | C06 | N05 | 114.0° | 114.5° |
| C34 | C06 | C07 | 120.6° | 122.7° |
| C06 | C34 | H29 | 126.0° | 126.1° |
| C09 | N08 | C07 | 116.6° | 120.0° |
| C09 | N08 | C10 | 121.0° | 120.0° |
| N08 | C09 | H24 | 109.5° | 109.5° |
| N08 | C09 | H25 | 109.5° | 109.4° |
| N08 | C09 | H26 | 109.5° | 109.4° |
| C04 | C02 | C03 | 110.0° | 109.4° |
| C04 | C02 | C01 | 108.9° | 109.5° |
| C02 | C04 | N05 | 136.3° | 124.9° |
| C04 | C02 | H30 | 110.9° | 109.5° |
| C03 | C02 | C01 | 106.1° | 109.4° |
| C03 | C02 | H30 | 110.3° | 109.4° |
| C02 | C03 | H31 | 109.5° | 109.5° |
| C02 | C03 | H32 | 109.5° | 109.5° |
| C02 | C03 | H33 | 109.5° | 109.5° |
| C01 | C02 | H30 | 110.6° | 109.5° |
| C02 | C01 | H34 | 109.5° | 109.5° |
| C02 | C01 | H35 | 109.5° | 109.5° |
| C02 | C01 | H36 | 109.5° | 109.4° |
| C04 | N05 | C06 | 114.9° | 117.1° |
| N05 | C06 | C07 | 125.3° | 122.8° |
| C06 | C07 | N08 | 115.2° | 109.5° |
| C06 | C07 | H27 | 108.0° | 109.4° |
| C06 | C07 | H28 | 108.0° | 109.4° |
| C07 | N08 | C10 | 122.4° | 120.0° |
| N08 | C07 | H27 | 108.0° | 109.5° |
| N08 | C07 | H28 | 108.0° | 109.5° |
| N08 | C10 | O11 | 118.6° | 120.0° |
| N08 | C10 | N12 | 118.4° | 120.0° |
| O11 | C10 | N12 | 123.0° | 120.0° |
| O15 | C14 | N16 | 122.4° | 120.0° |
| O15 | C14 | C13 | 121.1° | 120.0° |
| C10 | N12 | C13 | 127.0° | 120.0° |
| C10 | N12 | H23 | 116.5° | 120.0° |
| N16 | C17 | C18 | 112.3° | 109.4° |
| C17 | N16 | C14 | 124.3° | 120.0° |
| N16 | C17 | H12 | 108.8° | 109.4° |
| N16 | C17 | H13 | 108.7° | 109.4° |
| C17 | N16 | H14 | 117.8° | 120.0° |
| C17 | C18 | C19 | 114.5° | 109.5° |
| C17 | C18 | H10 | 108.2° | 109.5° |
| C17 | C18 | H11 | 108.2° | 109.5° |
| C18 | C17 | H12 | 108.8° | 109.5° |
| C18 | C17 | H13 | 108.8° | 109.5° |
| N12 | C13 | C14 | 114.1° | 109.5° |
| N12 | C13 | C31 | 108.2° | 109.4° |
| N12 | C13 | H15 | 108.5° | 109.5° |
| C13 | N12 | H23 | 116.5° | 120.0° |
| N16 | C14 | C13 | 116.6° | 120.0° |
| C14 | N16 | H14 | 117.9° | 120.0° |
| C14 | C13 | C31 | 110.4° | 109.5° |
| C14 | C13 | H15 | 107.8° | 109.5° |
| C18 | C19 | C20 | 111.3° | 109.5° |
| C18 | C19 | H8 | 109.0° | 109.4° |
| C18 | C19 | H9 | 109.0° | 109.5° |
| C19 | C18 | H10 | 108.2° | 109.4° |
| C19 | C18 | H11 | 108.2° | 109.5° |
| C13 | C31 | C32 | 113.0° | 109.5° |
| C13 | C31 | C33 | 111.2° | 109.4° |
| C31 | C13 | H15 | 107.6° | 109.5° |
| C13 | C31 | H16 | 106.8° | 109.4° |
| O23 | C22 | O24 | 118.4° | 120.0° |
| O23 | C22 | N21 | 122.9° | 120.0° |
| O24 | C25 | C26 | 107.1° | 109.5° |
| C25 | O24 | C22 | 123.9° | 117.0° |
| O24 | C25 | H1 | 110.0° | 109.5° |
| O24 | C25 | H2 | 110.1° | 109.5° |
| C25 | C26 | C27 | 134.6° | 126.1° |
| C25 | C26 | S30 | 118.9° | 126.0° |
| C26 | C25 | H1 | 110.1° | 109.4° |
| C26 | C25 | H2 | 110.0° | 109.4° |
| C32 | C31 | C33 | 111.7° | 109.5° |
| C32 | C31 | H16 | 106.8° | 109.4° |
| C31 | C32 | H20 | 109.5° | 109.5° |
| C31 | C32 | H21 | 109.5° | 109.4° |
| C31 | C32 | H22 | 109.5° | 109.4° |
| C19 | C20 | N21 | 119.4° | 109.5° |
| C19 | C20 | H6 | 106.9° | 109.5° |
| C19 | C20 | H7 | 106.9° | 109.5° |
| C20 | C19 | H8 | 109.0° | 109.5° |
| C20 | C19 | H9 | 109.0° | 109.5° |
| C33 | C31 | H16 | 106.8° | 109.5° |
| C31 | C33 | H17 | 109.5° | 109.6° |
| C31 | C33 | H18 | 109.5° | 109.4° |
| C31 | C33 | H19 | 109.4° | 109.5° |
| O24 | C22 | N21 | 118.8° | 120.0° |
| C22 | N21 | C20 | 125.4° | 120.0° |
| C22 | N21 | H5 | 117.3° | 120.0° |
| C26 | C27 | N28 | 115.8° | 114.5° |
| C27 | C26 | S30 | 106.6° | 107.9° |
| C26 | C27 | H4 | 122.1° | 122.7° |
| C27 | N28 | C29 | 114.9° | 117.1° |
| N28 | C27 | H4 | 122.1° | 122.8° |
| C26 | S30 | C29 | 95.0° | 90.3° |
| C20 | N21 | H5 | 117.3° | 120.0° |
| N21 | C20 | H6 | 106.9° | 109.5° |
| N21 | C20 | H7 | 106.9° | 109.4° |
| N28 | C29 | S30 | 107.7° | 110.2° |
| N28 | C29 | H3 | 126.1° | 124.9° |
| S30 | C29 | H3 | 126.1° | 124.9° |
| H1 | C25 | H2 | 109.5° | 109.5° |
| H6 | C20 | H7 | 109.5° | 109.5° |
| H8 | C19 | H9 | 109.5° | 109.4° |
| H10 | C18 | H11 | 109.5° | 109.5° |
| H12 | C17 | H13 | 109.5° | 109.5° |
| H17 | C33 | H18 | 109.4° | 109.5° |
| H17 | C33 | H19 | 109.5° | 109.5° |
| H18 | C33 | H19 | 109.5° | 109.4° |
| H20 | C32 | H21 | 109.5° | 109.5° |
| H20 | C32 | H22 | 109.5° | 109.5° |
| H21 | C32 | H22 | 109.5° | 109.5° |
| H24 | C09 | H25 | 109.4° | 109.5° |
| H24 | C09 | H26 | 109.5° | 109.5° |
| H25 | C09 | H26 | 109.5° | 109.5° |
| H27 | C07 | H28 | 109.4° | 109.5° |
| H31 | C03 | H32 | 109.4° | 109.4° |
| H31 | C03 | H33 | 109.5° | 109.5° |
| H32 | C03 | H33 | 109.5° | 109.5° |
| H34 | C01 | H35 | 109.5° | 109.5° |
| H34 | C01 | H36 | 109.5° | 109.5° |
| H35 | C01 | H36 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S35 | C34 | C06 | H29 | 180.0° | 180.0° |
| C34 | S35 | C04 | C02 | 179.3° | 180.0° |
| C34 | S35 | C04 | N05 | 0.1° | 0.3° |
| S35 | C34 | C06 | N05 | 0.5° | 0.0° |
| S35 | C34 | C06 | C07 | 179.8° | 179.7° |
| C04 | S35 | C34 | C06 | 0.3° | 0.2° |
| S35 | C04 | C02 | N05 | 179.2° | 179.7° |
| S35 | C04 | C02 | C03 | 54.2° | 60.0° |
| S35 | C04 | C02 | C01 | 170.0° | 60.0° |
| S35 | C04 | N05 | C06 | 0.2° | 0.4° |
| C04 | S35 | C34 | H29 | 179.7° | 179.8° |
| S35 | C04 | C02 | H30 | 68.1° | 180.0° |
| C34 | C06 | N05 | C04 | 0.5° | 0.2° |
| C34 | C06 | N05 | C07 | 179.2° | 179.7° |
| C34 | C06 | C07 | N08 | 96.3° | 94.7° |
| C34 | C06 | C07 | H27 | 24.5° | 25.3° |
| C34 | C06 | C07 | H28 | 142.8° | 145.3° |
| C09 | N08 | C07 | C06 | 89.2° | 90.0° |
| C09 | N08 | C07 | C10 | 178.2° | 179.9° |
| C09 | N08 | C10 | O11 | 13.7° | 180.0° |
| C09 | N08 | C10 | N12 | 166.5° | 0.1° |
| N08 | C09 | H24 | H25 | 120.0° | 120.0° |
| N08 | C09 | H24 | H26 | 120.0° | 119.9° |
| N08 | C09 | H25 | H26 | 120.0° | 119.9° |
| C09 | N08 | C07 | H27 | 31.6° | 30.0° |
| C09 | N08 | C07 | H28 | 149.9° | 150.0° |
| C04 | C02 | C03 | C01 | 117.6° | 120.0° |
| C04 | C02 | C03 | H30 | 122.6° | 120.0° |
| C04 | C02 | C01 | H30 | 122.0° | 120.1° |
| C02 | C04 | N05 | C06 | 179.4° | 179.9° |
| C04 | C02 | C03 | H31 | 180.0° | 60.0° |
| C04 | C02 | C03 | H32 | 60.0° | 179.9° |
| C04 | C02 | C03 | H33 | 60.0° | 60.0° |
| C04 | C02 | C01 | H34 | 180.0° | 180.0° |
| C04 | C02 | C01 | H35 | 60.0° | 59.9° |
| C04 | C02 | C01 | H36 | 60.0° | 60.0° |
| C03 | C02 | C01 | H30 | 119.6° | 120.0° |
| C03 | C02 | C04 | N05 | 125.1° | 119.7° |
| C02 | C03 | H31 | H32 | 120.0° | 119.9° |
| C02 | C03 | H31 | H33 | 120.0° | 120.0° |
| C02 | C03 | H32 | H33 | 120.0° | 120.0° |
| C03 | C02 | C01 | H34 | 61.7° | 60.0° |
| C03 | C02 | C01 | H35 | 178.3° | 60.0° |
| C03 | C02 | C01 | H36 | 58.4° | 180.0° |
| C01 | C02 | C04 | N05 | 9.2° | 120.4° |
| C01 | C02 | C03 | H31 | 62.4° | 60.0° |
| C01 | C02 | C03 | H32 | 57.6° | 59.9° |
| C01 | C02 | C03 | H33 | 177.6° | 180.0° |
| C02 | C01 | H34 | H35 | 120.0° | 120.1° |
| C02 | C01 | H34 | H36 | 120.0° | 120.0° |
| C02 | C01 | H35 | H36 | 120.0° | 120.0° |
| C04 | N05 | C06 | C07 | 179.7° | 180.0° |
| N05 | C04 | C02 | H30 | 112.6° | 0.3° |
| N05 | C06 | C07 | N08 | 84.5° | 85.0° |
| N05 | C06 | C07 | H27 | 154.7° | 155.0° |
| N05 | C06 | C07 | H28 | 36.4° | 35.0° |
| N05 | C06 | C34 | H29 | 179.5° | 180.0° |
| C06 | C07 | N08 | H27 | 120.9° | 120.0° |
| C06 | C07 | N08 | H28 | 120.9° | 120.0° |
| C06 | C07 | N08 | C10 | 92.6° | 90.0° |
| C06 | C07 | H27 | H28 | 117.4° | 120.0° |
| C07 | C06 | C34 | H29 | 0.2° | 0.3° |
| C07 | N08 | C10 | O11 | 164.4° | 0.0° |
| C07 | N08 | C10 | N12 | 15.4° | 180.0° |
| C07 | N08 | C09 | H24 | 180.0° | 90.0° |
| C07 | N08 | C09 | H25 | 60.0° | 150.0° |
| C07 | N08 | C09 | H26 | 60.0° | 30.0° |
| N08 | C07 | H27 | H28 | 117.4° | 120.0° |
| N08 | C10 | O11 | N12 | 179.8° | 179.9° |
| N08 | C10 | N12 | C13 | 175.6° | 180.0° |
| N08 | C10 | N12 | H23 | 4.4° | 0.1° |
| C10 | N08 | C09 | H24 | 1.8° | 90.0° |
| C10 | N08 | C09 | H25 | 121.8° | 30.1° |
| C10 | N08 | C09 | H26 | 118.2° | 150.0° |
| C10 | N08 | C07 | H27 | 146.6° | 150.1° |
| C10 | N08 | C07 | H28 | 28.3° | 30.0° |
| O11 | C10 | N12 | C13 | 4.2° | 0.1° |
| O11 | C10 | N12 | H23 | 175.8° | 180.0° |
| O15 | C14 | N16 | C17 | 7.4° | 4.7° |
| O15 | C14 | C13 | N12 | 38.7° | 28.0° |
| O15 | C14 | N16 | C13 | 179.2° | 179.9° |
| O15 | C14 | C13 | C31 | 83.5° | 92.0° |
| O15 | C14 | N16 | H14 | 172.6° | 175.2° |
| O15 | C14 | C13 | H15 | 159.2° | 148.0° |
| C10 | N12 | C13 | H23 | 180.0° | 179.9° |
| C10 | N12 | C13 | C14 | 69.4° | 155.0° |
| C10 | N12 | C13 | C31 | 167.3° | 85.1° |
| C10 | N12 | C13 | H15 | 50.8° | 34.9° |
| N16 | C17 | C18 | H12 | 120.4° | 119.9° |
| N16 | C17 | C18 | H13 | 120.4° | 120.0° |
| C17 | N16 | C14 | H14 | 180.0° | 179.9° |
| C17 | N16 | C14 | C13 | 173.4° | 175.2° |
| N16 | C17 | C18 | C19 | 69.3° | 180.0° |
| N16 | C17 | C18 | H10 | 51.4° | 60.1° |
| N16 | C17 | C18 | H11 | 170.0° | 60.0° |
| N16 | C17 | H12 | H13 | 118.7° | 120.0° |
| C18 | C17 | N16 | C14 | 115.8° | 179.9° |
| C17 | C18 | C19 | H10 | 120.7° | 120.0° |
| C17 | C18 | C19 | H11 | 120.7° | 120.1° |
| C17 | C18 | C19 | C20 | 159.5° | 180.0° |
| C17 | C18 | C19 | H8 | 80.2° | 60.0° |
| C17 | C18 | C19 | H9 | 39.2° | 59.9° |
| C17 | C18 | H10 | H11 | 117.7° | 120.1° |
| C18 | C17 | H12 | H13 | 118.7° | 120.1° |
| C18 | C17 | N16 | H14 | 64.2° | 0.0° |
| N12 | C13 | C14 | N16 | 142.1° | 152.1° |
| N12 | C13 | C14 | C31 | 122.2° | 120.0° |
| N12 | C13 | C14 | H15 | 120.6° | 120.0° |
| N12 | C13 | C31 | H15 | 117.0° | 120.0° |
| N12 | C13 | C31 | C32 | 68.4° | 58.0° |
| N12 | C13 | C31 | C33 | 165.0° | 178.0° |
| N12 | C13 | C31 | H16 | 48.7° | 62.0° |
| N16 | C14 | C13 | C31 | 95.7° | 87.9° |
| C14 | N16 | C17 | H12 | 4.7° | 60.0° |
| C14 | N16 | C17 | H13 | 123.8° | 60.0° |
| N16 | C14 | C13 | H15 | 21.5° | 32.1° |
| C14 | C13 | C31 | H15 | 117.4° | 120.0° |
| C14 | C13 | C31 | C32 | 57.2° | 178.0° |
| C14 | C13 | C31 | C33 | 69.4° | 62.0° |
| C13 | C14 | N16 | H14 | 6.6° | 4.9° |
| C14 | C13 | C31 | H16 | 174.3° | 58.0° |
| C14 | C13 | N12 | H23 | 110.6° | 25.0° |
| C18 | C19 | C20 | H8 | 120.3° | 119.9° |
| C18 | C19 | C20 | H9 | 120.3° | 120.1° |
| C18 | C19 | C20 | N21 | 103.3° | 180.0° |
| C18 | C19 | C20 | H6 | 135.3° | 60.0° |
| C18 | C19 | C20 | H7 | 18.1° | 60.0° |
| C18 | C19 | H8 | H9 | 119.1° | 119.9° |
| C19 | C18 | H10 | H11 | 117.7° | 120.0° |
| C19 | C18 | C17 | H12 | 170.3° | 60.1° |
| C19 | C18 | C17 | H13 | 51.1° | 60.0° |
| C13 | C31 | C32 | C33 | 126.4° | 120.0° |
| C13 | C31 | C32 | H16 | 117.2° | 119.9° |
| C13 | C31 | C33 | H16 | 116.2° | 120.0° |
| C13 | C31 | C33 | H17 | 180.0° | 53.9° |
| C13 | C31 | C33 | H18 | 60.0° | 173.9° |
| C13 | C31 | C33 | H19 | 60.0° | 66.2° |
| C13 | C31 | C32 | H20 | 180.0° | 59.9° |
| C13 | C31 | C32 | H21 | 60.0° | 180.0° |
| C13 | C31 | C32 | H22 | 60.0° | 60.0° |
| C31 | C13 | N12 | H23 | 12.7° | 95.0° |
| O23 | C22 | O24 | C25 | 11.8° | 0.0° |
| O23 | C22 | O24 | N21 | 179.0° | 179.7° |
| O23 | C22 | N21 | C20 | 23.8° | 0.0° |
| O23 | C22 | N21 | H5 | 156.2° | 180.0° |
| O24 | C25 | C26 | H1 | 119.6° | 119.9° |
| O24 | C25 | C26 | H2 | 119.6° | 120.0° |
| C25 | O24 | C22 | N21 | 167.3° | 179.7° |
| O24 | C25 | C26 | C27 | 162.9° | 89.7° |
| O24 | C25 | C26 | S30 | 15.4° | 90.0° |
| O24 | C25 | H1 | H2 | 121.1° | 120.1° |
| C26 | C25 | O24 | C22 | 114.8° | 180.0° |
| C25 | C26 | C27 | S30 | 178.5° | 179.7° |
| C25 | C26 | C27 | N28 | 178.7° | 179.8° |
| C25 | C26 | S30 | C29 | 178.5° | 180.0° |
| C26 | C25 | H1 | H2 | 121.1° | 119.9° |
| C25 | C26 | C27 | H4 | 1.3° | 0.1° |
| C32 | C31 | C33 | H16 | 116.4° | 120.0° |
| C32 | C31 | C13 | H15 | 174.6° | 62.0° |
| C32 | C31 | C33 | H17 | 52.7° | 66.1° |
| C32 | C31 | C33 | H18 | 67.3° | 53.9° |
| C32 | C31 | C33 | H19 | 172.7° | 173.9° |
| C31 | C32 | H20 | H21 | 120.0° | 120.0° |
| C31 | C32 | H20 | H22 | 120.0° | 119.9° |
| C31 | C32 | H21 | H22 | 120.0° | 119.9° |
| C19 | C20 | N21 | C22 | 24.3° | 180.0° |
| C19 | C20 | N21 | H6 | 121.4° | 120.0° |
| C19 | C20 | N21 | H7 | 121.4° | 120.0° |
| C19 | C20 | N21 | H5 | 155.7° | 0.0° |
| C19 | C20 | H6 | H7 | 115.5° | 120.1° |
| C20 | C19 | H8 | H9 | 119.2° | 120.1° |
| C20 | C19 | C18 | H10 | 38.8° | 60.0° |
| C20 | C19 | C18 | H11 | 79.8° | 60.0° |
| C33 | C31 | C13 | H15 | 48.0° | 58.0° |
| C31 | C33 | H17 | H18 | 120.0° | 120.0° |
| C31 | C33 | H17 | H19 | 120.0° | 120.0° |
| C31 | C33 | H18 | H19 | 120.0° | 119.9° |
| C33 | C31 | C32 | H20 | 53.7° | 179.9° |
| C33 | C31 | C32 | H21 | 173.7° | 60.0° |
| C33 | C31 | C32 | H22 | 66.3° | 60.0° |
| O24 | C22 | N21 | C20 | 157.3° | 179.7° |
| C22 | O24 | C25 | H1 | 125.6° | 60.1° |
| C22 | O24 | C25 | H2 | 4.8° | 60.0° |
| O24 | C22 | N21 | H5 | 22.7° | 0.3° |
| C22 | N21 | C20 | H5 | 180.0° | 180.0° |
| C22 | N21 | C20 | H6 | 145.7° | 60.0° |
| C22 | N21 | C20 | H7 | 97.1° | 60.0° |
| C26 | C27 | N28 | H4 | 180.0° | 179.9° |
| C26 | C27 | N28 | C29 | 0.8° | 0.5° |
| C27 | C26 | S30 | C29 | 0.2° | 0.2° |
| C27 | C26 | C25 | H1 | 77.5° | 30.3° |
| C27 | C26 | C25 | H2 | 43.3° | 150.3° |
| N28 | C27 | C26 | S30 | 0.2° | 0.5° |
| C27 | N28 | C29 | S30 | 0.9° | 0.3° |
| C27 | N28 | C29 | H3 | 179.1° | 179.8° |
| C26 | S30 | C29 | N28 | 0.6° | 0.0° |
| S30 | C26 | C25 | H1 | 104.2° | 150.0° |
| S30 | C26 | C25 | H2 | 135.0° | 30.0° |
| C26 | S30 | C29 | H3 | 179.3° | 179.9° |
| S30 | C26 | C27 | H4 | 179.8° | 179.7° |
| N21 | C20 | H6 | H7 | 115.5° | 119.9° |
| N21 | C20 | C19 | H8 | 16.9° | 60.0° |
| N21 | C20 | C19 | H9 | 136.4° | 60.0° |
| N28 | C29 | S30 | H3 | 180.0° | 179.9° |
| C29 | N28 | C27 | H4 | 179.2° | 179.6° |
| H5 | N21 | C20 | H6 | 34.3° | 120.0° |
| H5 | N21 | C20 | H7 | 82.9° | 120.0° |
| H6 | C20 | C19 | H8 | 104.4° | 180.0° |
| H6 | C20 | C19 | H9 | 15.0° | 60.0° |
| H7 | C20 | C19 | H8 | 138.3° | 59.9° |
| H7 | C20 | C19 | H9 | 102.2° | 179.9° |
| H8 | C19 | C18 | H10 | 159.1° | 180.0° |
| H8 | C19 | C18 | H11 | 40.5° | 60.1° |
| H9 | C19 | C18 | H10 | 81.5° | 60.1° |
| H9 | C19 | C18 | H11 | 160.0° | 180.0° |
| H10 | C18 | C17 | H12 | 69.0° | NaN° |
| H10 | C18 | C17 | H13 | 171.8° | 59.9° |
| H11 | C18 | C17 | H12 | 49.5° | 59.9° |
| H11 | C18 | C17 | H13 | 69.6° | 180.0° |
| H12 | C17 | N16 | H14 | 175.3° | 119.9° |
| H13 | C17 | N16 | H14 | 56.2° | 120.1° |
| H15 | C13 | C31 | H16 | 68.3° | 178.0° |
| H15 | C13 | N12 | H23 | 129.2° | 145.0° |
| H16 | C31 | C33 | H17 | 63.8° | 173.9° |
| H16 | C31 | C33 | H18 | 176.3° | 66.1° |
| H16 | C31 | C33 | H19 | 56.3° | 53.8° |
| H16 | C31 | C32 | H20 | 62.8° | 60.0° |
| H16 | C31 | C32 | H21 | 57.2° | 60.1° |
| H16 | C31 | C32 | H22 | 177.2° | 180.0° |
| H17 | C33 | H18 | H19 | 120.0° | 120.0° |
| H20 | C32 | H21 | H22 | 120.0° | 120.0° |
| H24 | C09 | H25 | H26 | 120.0° | 120.0° |
| H30 | C02 | C03 | H31 | 57.4° | 180.0° |
| H30 | C02 | C03 | H32 | 177.4° | 60.1° |
| H30 | C02 | C03 | H33 | 62.6° | 60.0° |
| H30 | C02 | C01 | H34 | 58.0° | 59.9° |
| H30 | C02 | C01 | H35 | 62.1° | 180.0° |
| H30 | C02 | C01 | H36 | 178.0° | 60.1° |
| H31 | C03 | H32 | H33 | 120.0° | 120.1° |
| H34 | C01 | H35 | H36 | 120.0° | 120.0° |
