A1IVQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O11 | S10 | doub | 1.42Å | 1.40Å | |
| C08 | C09 | doub | 1.38Å | 1.43Å | Aromatic |
| C08 | C07 | sing | 1.38Å | 1.42Å | Aromatic |
| C09 | C04 | sing | 1.38Å | 1.43Å | Aromatic |
| C14 | N13 | sing | 1.47Å | 1.49Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| S10 | C07 | sing | 1.76Å | 1.89Å | |
| S10 | N13 | sing | 1.66Å | 1.74Å | |
| S10 | O12 | doub | 1.42Å | 1.41Å | |
| C21 | C20 | sing | 1.53Å | 1.51Å | |
| C21 | N16 | sing | 1.47Å | 1.52Å | |
| C07 | C06 | doub | 1.38Å | 1.40Å | Aromatic |
| C20 | C19 | sing | 1.53Å | 1.54Å | |
| C04 | C03 | sing | 1.51Å | 1.59Å | |
| C04 | C05 | doub | 1.38Å | 1.40Å | Aromatic |
| N16 | C15 | sing | 1.47Å | 1.51Å | |
| N16 | C17 | sing | 1.47Å | 1.52Å | |
| C03 | C02 | sing | 1.53Å | 1.61Å | |
| C06 | C05 | sing | 1.38Å | 1.41Å | Aromatic |
| C01 | C02 | sing | 1.53Å | 1.54Å | |
| C02 | C35 | sing | 1.53Å | 1.55Å | |
| C19 | C22 | sing | 1.53Å | 1.60Å | |
| C19 | C18 | sing | 1.53Å | 1.56Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C22 | O23 | sing | 1.45Å | 1.47Å | |
| O25 | C24 | doub | 1.22Å | 1.23Å | |
| O23 | C24 | sing | 1.35Å | 1.41Å | |
| C24 | C26 | sing | 1.47Å | 1.53Å | |
| C26 | C30 | sing | 1.47Å | 1.51Å | Aromatic |
| C26 | C27 | doub | 1.36Å | 1.39Å | Aromatic |
| C31 | C30 | doub | 1.39Å | 1.45Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | C29 | sing | 1.40Å | 1.44Å | Aromatic |
| C27 | N28 | sing | 1.35Å | 1.45Å | Aromatic |
| C32 | C33 | doub | 1.39Å | 1.45Å | Aromatic |
| C29 | N28 | sing | 1.38Å | 1.41Å | Aromatic |
| C29 | C34 | doub | 1.39Å | 1.43Å | Aromatic |
| C33 | C34 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C01 | H11 | sing | 1.09Å | 1.10Å | |
| C01 | H12 | sing | 1.09Å | 1.10Å | |
| C01 | H13 | sing | 1.09Å | 1.10Å | |
| C02 | H14 | sing | 1.09Å | 1.10Å | |
| C03 | H15 | sing | 1.09Å | 1.10Å | |
| C03 | H16 | sing | 1.09Å | 1.10Å | |
| C05 | H17 | sing | 1.08Å | 1.08Å | |
| C06 | H18 | sing | 1.08Å | 1.08Å | |
| C08 | H19 | sing | 1.08Å | 1.08Å | |
| C09 | H20 | sing | 1.08Å | 1.08Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C27 | H26 | sing | 1.08Å | 1.08Å | |
| C31 | H27 | sing | 1.08Å | 1.08Å | |
| C32 | H28 | sing | 1.08Å | 1.08Å | |
| C33 | H29 | sing | 1.08Å | 1.08Å | |
| C34 | H30 | sing | 1.08Å | 1.08Å | |
| C35 | H31 | sing | 1.09Å | 1.10Å | |
| C35 | H32 | sing | 1.09Å | 1.10Å | |
| C35 | H33 | sing | 1.09Å | 1.10Å | |
| N13 | H34 | sing | 0.97Å | 1.00Å | |
| N28 | H36 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O11 | S10 | C07 | 109.2° | 106.4° |
| O11 | S10 | N13 | 110.5° | 106.4° |
| O11 | S10 | O12 | 113.5° | 123.2° |
| C09 | C08 | C07 | 122.5° | 120.0° |
| C08 | C09 | C04 | 120.9° | 120.0° |
| C09 | C08 | H19 | 118.7° | 120.0° |
| C08 | C09 | H20 | 119.5° | 120.0° |
| C08 | C07 | S10 | 123.4° | 120.0° |
| C08 | C07 | C06 | 114.6° | 120.0° |
| C07 | C08 | H19 | 118.7° | 120.0° |
| C09 | C04 | C03 | 123.3° | 120.0° |
| C09 | C04 | C05 | 116.1° | 120.0° |
| C04 | C09 | H20 | 119.5° | 120.0° |
| N13 | C14 | C15 | 107.9° | 109.5° |
| C14 | N13 | S10 | 122.4° | 120.0° |
| N13 | C14 | H21 | 109.9° | 109.5° |
| N13 | C14 | H22 | 109.9° | 109.5° |
| C14 | N13 | H34 | 106.1° | 120.0° |
| C14 | C15 | N16 | 110.2° | 109.5° |
| C14 | C15 | H1 | 109.3° | 109.4° |
| C14 | C15 | H2 | 109.3° | 109.5° |
| C15 | C14 | H21 | 109.9° | 109.5° |
| C15 | C14 | H22 | 109.8° | 109.4° |
| C07 | S10 | N13 | 100.3° | 107.2° |
| C07 | S10 | O12 | 111.1° | 106.4° |
| S10 | C07 | C06 | 121.9° | 120.0° |
| N13 | S10 | O12 | 111.5° | 106.4° |
| S10 | N13 | H34 | 106.2° | 120.0° |
| C20 | C21 | N16 | 115.7° | 109.5° |
| C21 | C20 | C19 | 111.2° | 109.3° |
| C21 | C20 | H5 | 109.0° | 109.6° |
| C21 | C20 | H6 | 109.0° | 109.5° |
| C20 | C21 | H7 | 107.9° | 109.4° |
| C20 | C21 | H8 | 107.9° | 109.4° |
| C21 | N16 | C15 | 105.5° | 111.0° |
| C21 | N16 | C17 | 114.1° | 111.2° |
| N16 | C21 | H7 | 107.9° | 109.5° |
| N16 | C21 | H8 | 107.9° | 109.5° |
| C07 | C06 | C05 | 124.1° | 120.0° |
| C07 | C06 | H18 | 118.0° | 120.0° |
| C20 | C19 | C22 | 111.1° | 109.5° |
| C20 | C19 | C18 | 108.5° | 109.2° |
| C19 | C20 | H5 | 109.1° | 109.5° |
| C19 | C20 | H6 | 109.0° | 109.5° |
| C20 | C19 | H25 | 108.6° | 109.5° |
| C03 | C04 | C05 | 120.6° | 120.0° |
| C04 | C03 | C02 | 119.6° | 109.5° |
| C04 | C03 | H15 | 106.9° | 109.4° |
| C04 | C03 | H16 | 106.9° | 109.4° |
| C04 | C05 | C06 | 121.7° | 120.0° |
| C04 | C05 | H17 | 119.1° | 120.0° |
| C15 | N16 | C17 | 105.1° | 111.0° |
| N16 | C15 | H1 | 109.3° | 109.5° |
| N16 | C15 | H2 | 109.3° | 109.5° |
| N16 | C17 | C18 | 115.6° | 109.5° |
| N16 | C17 | H3 | 107.9° | 109.5° |
| N16 | C17 | H4 | 107.9° | 109.5° |
| C03 | C02 | C01 | 114.9° | 109.5° |
| C03 | C02 | C35 | 114.0° | 109.5° |
| C03 | C02 | H14 | 104.6° | 109.5° |
| C02 | C03 | H15 | 106.9° | 109.5° |
| C02 | C03 | H16 | 106.9° | 109.5° |
| C06 | C05 | H17 | 119.1° | 120.0° |
| C05 | C06 | H18 | 118.0° | 120.0° |
| C01 | C02 | C35 | 111.8° | 109.5° |
| C02 | C01 | H11 | 109.5° | 109.5° |
| C02 | C01 | H12 | 109.5° | 109.5° |
| C02 | C01 | H13 | 109.5° | 109.5° |
| C01 | C02 | H14 | 105.3° | 109.5° |
| C35 | C02 | H14 | 105.1° | 109.4° |
| C02 | C35 | H31 | 109.5° | 109.4° |
| C02 | C35 | H32 | 109.5° | 109.5° |
| C02 | C35 | H33 | 109.5° | 109.5° |
| C22 | C19 | C18 | 112.4° | 109.6° |
| C19 | C22 | O23 | 116.5° | 109.5° |
| C19 | C22 | H9 | 107.7° | 109.5° |
| C19 | C22 | H10 | 107.7° | 109.5° |
| C22 | C19 | H25 | 107.8° | 109.6° |
| C19 | C18 | C17 | 112.2° | 109.3° |
| C19 | C18 | H23 | 108.8° | 109.5° |
| C19 | C18 | H24 | 108.8° | 109.5° |
| C18 | C19 | H25 | 108.3° | 109.5° |
| C18 | C17 | H3 | 107.9° | 109.5° |
| C18 | C17 | H4 | 108.0° | 109.5° |
| C17 | C18 | H23 | 108.8° | 109.5° |
| C17 | C18 | H24 | 108.8° | 109.5° |
| C22 | O23 | C24 | 128.5° | 117.0° |
| O23 | C22 | H9 | 107.7° | 109.5° |
| O23 | C22 | H10 | 107.7° | 109.5° |
| O25 | C24 | O23 | 117.4° | 120.0° |
| O25 | C24 | C26 | 119.5° | 120.0° |
| O23 | C24 | C26 | 123.1° | 120.0° |
| C24 | C26 | C30 | 127.1° | 126.8° |
| C24 | C26 | C27 | 127.4° | 126.7° |
| C30 | C26 | C27 | 105.5° | 106.4° |
| C26 | C30 | C31 | 135.4° | 134.0° |
| C26 | C30 | C29 | 108.3° | 105.9° |
| C26 | C27 | N28 | 110.0° | 109.8° |
| C26 | C27 | H26 | 125.0° | 125.1° |
| C30 | C31 | C32 | 121.9° | 119.7° |
| C31 | C30 | C29 | 116.3° | 120.1° |
| C30 | C31 | H27 | 119.0° | 120.2° |
| C31 | C32 | C33 | 119.8° | 120.3° |
| C32 | C31 | H27 | 119.1° | 120.1° |
| C31 | C32 | H28 | 120.1° | 119.9° |
| C30 | C29 | N28 | 106.9° | 107.4° |
| C30 | C29 | C34 | 121.9° | 119.4° |
| C27 | N28 | C29 | 109.2° | 110.4° |
| N28 | C27 | H26 | 125.0° | 125.1° |
| C27 | N28 | H36 | 125.4° | 124.8° |
| C32 | C33 | C34 | 120.2° | 120.6° |
| C33 | C32 | H28 | 120.1° | 119.8° |
| C32 | C33 | H29 | 119.9° | 119.7° |
| N28 | C29 | C34 | 131.1° | 133.2° |
| C29 | N28 | H36 | 125.4° | 124.8° |
| C29 | C34 | C33 | 119.8° | 119.9° |
| C29 | C34 | H30 | 120.1° | 120.0° |
| C34 | C33 | H29 | 119.9° | 119.7° |
| C33 | C34 | H30 | 120.1° | 120.1° |
| H1 | C15 | H2 | 109.5° | 109.5° |
| H3 | C17 | H4 | 109.5° | 109.4° |
| H5 | C20 | H6 | 109.5° | 109.5° |
| H7 | C21 | H8 | 109.5° | 109.5° |
| H9 | C22 | H10 | 109.5° | 109.4° |
| H11 | C01 | H12 | 109.4° | 109.5° |
| H11 | C01 | H13 | 109.5° | 109.5° |
| H12 | C01 | H13 | 109.4° | 109.4° |
| H15 | C03 | H16 | 109.5° | 109.5° |
| H21 | C14 | H22 | 109.5° | 109.5° |
| H23 | C18 | H24 | 109.5° | 109.5° |
| H31 | C35 | H32 | 109.5° | 109.5° |
| H31 | C35 | H33 | 109.5° | 109.5° |
| H32 | C35 | H33 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O11 | S10 | C07 | C08 | 14.0° | 23.5° |
| O11 | S10 | N13 | C14 | 28.4° | 48.6° |
| O11 | S10 | C07 | N13 | 116.1° | 113.5° |
| O11 | S10 | C07 | O12 | 125.9° | 132.9° |
| O11 | S10 | N13 | O12 | 127.2° | 132.9° |
| O11 | S10 | C07 | C06 | 167.7° | 156.5° |
| O11 | S10 | N13 | H34 | 150.2° | 131.5° |
| C09 | C08 | C07 | H19 | 180.0° | 179.5° |
| C08 | C09 | C04 | H20 | 180.0° | 179.5° |
| C09 | C08 | C07 | S10 | 179.6° | 179.7° |
| C09 | C08 | C07 | C06 | 1.2° | 0.2° |
| C08 | C09 | C04 | C03 | 179.4° | 179.7° |
| C08 | C09 | C04 | C05 | 0.4° | 0.5° |
| C07 | C08 | C09 | C04 | 0.6° | 0.5° |
| C08 | C07 | S10 | C06 | 178.3° | 180.0° |
| C08 | C07 | S10 | N13 | 102.1° | 90.0° |
| C08 | C07 | S10 | O12 | 139.9° | 156.4° |
| C08 | C07 | C06 | C05 | 0.8° | 0.0° |
| C08 | C07 | C06 | H18 | 179.2° | 180.0° |
| C07 | C08 | C09 | H20 | 179.5° | 180.0° |
| C09 | C04 | C03 | C05 | 178.9° | 179.8° |
| C09 | C04 | C03 | C02 | 110.1° | 90.2° |
| C09 | C04 | C05 | C06 | 0.8° | 0.2° |
| C09 | C04 | C03 | H15 | 128.5° | 149.8° |
| C09 | C04 | C03 | H16 | 11.4° | 29.8° |
| C09 | C04 | C05 | H17 | 179.2° | 179.7° |
| C04 | C09 | C08 | H19 | 179.5° | 180.0° |
| N13 | C14 | C15 | H21 | 119.8° | 120.0° |
| N13 | C14 | C15 | H22 | 119.8° | 120.0° |
| C14 | N13 | S10 | C07 | 143.6° | 65.0° |
| C14 | N13 | S10 | H34 | 121.8° | 179.9° |
| C14 | N13 | S10 | O12 | 98.8° | 178.5° |
| N13 | C14 | C15 | N16 | 88.2° | 180.0° |
| N13 | C14 | C15 | H1 | 151.7° | 60.0° |
| N13 | C14 | C15 | H2 | 31.9° | 60.0° |
| N13 | C14 | H21 | H22 | 120.7° | 120.0° |
| C15 | C14 | N13 | S10 | 116.0° | 165.1° |
| C14 | C15 | N16 | C21 | 100.4° | 170.0° |
| C14 | C15 | N16 | H1 | 120.1° | 119.9° |
| C14 | C15 | N16 | H2 | 120.1° | 120.0° |
| C14 | C15 | N16 | C17 | 138.6° | 65.9° |
| C14 | C15 | H1 | H2 | 119.6° | 120.0° |
| C15 | C14 | H21 | H22 | 120.7° | 119.9° |
| C15 | C14 | N13 | H34 | 5.8° | 15.0° |
| C07 | S10 | N13 | O12 | 117.7° | 113.5° |
| S10 | C07 | C06 | C05 | 179.3° | 180.0° |
| S10 | C07 | C06 | H18 | 0.7° | 0.0° |
| S10 | C07 | C08 | H19 | 0.5° | 0.2° |
| C07 | S10 | N13 | H34 | 94.6° | 115.0° |
| N13 | S10 | C07 | C06 | 76.2° | 90.0° |
| S10 | N13 | C14 | H21 | 3.8° | 45.0° |
| S10 | N13 | C14 | H22 | 124.3° | 75.0° |
| O12 | S10 | C07 | C06 | 41.8° | 23.6° |
| O12 | S10 | N13 | H34 | 23.0° | 1.4° |
| C20 | C21 | N16 | H7 | 120.9° | 120.0° |
| C20 | C21 | N16 | H8 | 120.9° | 120.0° |
| C21 | C20 | C19 | H5 | 120.2° | 120.0° |
| C21 | C20 | C19 | H6 | 120.3° | 119.9° |
| C20 | C21 | N16 | C15 | 73.2° | 62.3° |
| C20 | C21 | N16 | C17 | 41.7° | 61.7° |
| C21 | C20 | C19 | C22 | 176.8° | 177.5° |
| C21 | C20 | C19 | C18 | 59.1° | 57.6° |
| C21 | C20 | H5 | H6 | 119.2° | 120.1° |
| C20 | C21 | H7 | H8 | 117.2° | 119.9° |
| C21 | C20 | C19 | H25 | 58.3° | 62.3° |
| N16 | C21 | C20 | C19 | 53.1° | 59.2° |
| C21 | N16 | C15 | C17 | 121.0° | 124.2° |
| C21 | N16 | C17 | C18 | 38.6° | 61.8° |
| C21 | N16 | C15 | H1 | 19.7° | 50.1° |
| C21 | N16 | C15 | H2 | 139.5° | 70.0° |
| C21 | N16 | C17 | H3 | 159.5° | 58.3° |
| C21 | N16 | C17 | H4 | 82.3° | 178.2° |
| N16 | C21 | C20 | H5 | 173.4° | 179.2° |
| N16 | C21 | C20 | H6 | 67.1° | 60.7° |
| N16 | C21 | H7 | H8 | 117.2° | 120.0° |
| C07 | C06 | C05 | C04 | 0.1° | 0.0° |
| C07 | C06 | C05 | H18 | 180.0° | 180.0° |
| C07 | C06 | C05 | H17 | 179.9° | 180.0° |
| C06 | C07 | C08 | H19 | 178.9° | 179.8° |
| C20 | C19 | C22 | C18 | 121.8° | 119.7° |
| C20 | C19 | C22 | H25 | 118.9° | 120.1° |
| C20 | C19 | C18 | H25 | 117.7° | 119.8° |
| C20 | C19 | C18 | C17 | 56.6° | 57.6° |
| C20 | C19 | C22 | O23 | 171.2° | 175.0° |
| C19 | C20 | H5 | H6 | 119.2° | 120.0° |
| C19 | C20 | C21 | H7 | 174.0° | 179.2° |
| C19 | C20 | C21 | H8 | 67.8° | 60.9° |
| C20 | C19 | C22 | H9 | 67.7° | 54.9° |
| C20 | C19 | C22 | H10 | 50.2° | 65.0° |
| C20 | C19 | C18 | H23 | 177.0° | 62.3° |
| C20 | C19 | C18 | H24 | 63.8° | 177.6° |
| C04 | C03 | C02 | H15 | 121.4° | 120.0° |
| C04 | C03 | C02 | H16 | 121.4° | 120.0° |
| C03 | C04 | C05 | C06 | 179.7° | 180.0° |
| C04 | C03 | C02 | C01 | 2.4° | 175.0° |
| C04 | C03 | C02 | C35 | 128.6° | 65.0° |
| C04 | C03 | C02 | H14 | 117.3° | 55.0° |
| C04 | C03 | H15 | H16 | 115.4° | 119.9° |
| C03 | C04 | C05 | H17 | 0.3° | 0.0° |
| C03 | C04 | C09 | H20 | 0.6° | 0.2° |
| C05 | C04 | C03 | C02 | 71.1° | 90.0° |
| C04 | C05 | C06 | H17 | 180.0° | 180.0° |
| C05 | C04 | C03 | H15 | 50.4° | 30.0° |
| C05 | C04 | C03 | H16 | 167.5° | 150.0° |
| C04 | C05 | C06 | H18 | 179.9° | 180.0° |
| C05 | C04 | C09 | H20 | 179.5° | 180.0° |
| C15 | N16 | C17 | C18 | 76.5° | 62.3° |
| N16 | C15 | H1 | H2 | 119.7° | 120.0° |
| C15 | N16 | C17 | H3 | 44.4° | 177.6° |
| C15 | N16 | C17 | H4 | 162.6° | 57.7° |
| C15 | N16 | C21 | H7 | 47.7° | 57.7° |
| C15 | N16 | C21 | H8 | 165.9° | 177.7° |
| N16 | C15 | C14 | H21 | 31.6° | 60.0° |
| N16 | C15 | C14 | H22 | 152.1° | 60.1° |
| N16 | C17 | C18 | C19 | 47.3° | 59.2° |
| N16 | C17 | C18 | H3 | 120.9° | 120.1° |
| N16 | C17 | C18 | H4 | 120.9° | 120.0° |
| C17 | N16 | C15 | H1 | 101.3° | 174.2° |
| C17 | N16 | C15 | H2 | 18.5° | 54.2° |
| N16 | C17 | H3 | H4 | 117.2° | 120.0° |
| C17 | N16 | C21 | H7 | 162.6° | 178.3° |
| C17 | N16 | C21 | H8 | 79.2° | 58.3° |
| N16 | C17 | C18 | H23 | 167.7° | 60.8° |
| N16 | C17 | C18 | H24 | 73.1° | 179.2° |
| C03 | C02 | C01 | C35 | 132.0° | 120.0° |
| C03 | C02 | C01 | H14 | 114.5° | 120.0° |
| C03 | C02 | C35 | H14 | 113.9° | 120.0° |
| C03 | C02 | C01 | H11 | 180.0° | 60.0° |
| C03 | C02 | C01 | H12 | 60.0° | 60.0° |
| C03 | C02 | C01 | H13 | 60.0° | 180.0° |
| C02 | C03 | H15 | H16 | 115.5° | 120.1° |
| C03 | C02 | C35 | H31 | 180.0° | 60.0° |
| C03 | C02 | C35 | H32 | 60.0° | 180.0° |
| C03 | C02 | C35 | H33 | 60.0° | 60.0° |
| C01 | C02 | C35 | H14 | 113.6° | 120.0° |
| C02 | C01 | H11 | H12 | 120.0° | 120.1° |
| C02 | C01 | H11 | H13 | 120.0° | 120.0° |
| C02 | C01 | H12 | H13 | 120.0° | 120.0° |
| C01 | C02 | C03 | H15 | 123.8° | 55.0° |
| C01 | C02 | C03 | H16 | 119.1° | 65.0° |
| C01 | C02 | C35 | H31 | 47.5° | 60.0° |
| C01 | C02 | C35 | H32 | 72.5° | 60.0° |
| C01 | C02 | C35 | H33 | 167.5° | 180.0° |
| C35 | C02 | C01 | H11 | 48.0° | 60.0° |
| C35 | C02 | C01 | H12 | 168.0° | 180.0° |
| C35 | C02 | C01 | H13 | 72.0° | 60.0° |
| C35 | C02 | C03 | H15 | 7.2° | 175.1° |
| C35 | C02 | C03 | H16 | 110.0° | 55.0° |
| C02 | C35 | H31 | H32 | 120.0° | 120.0° |
| C02 | C35 | H31 | H33 | 120.0° | 120.0° |
| C02 | C35 | H32 | H33 | 120.0° | 120.1° |
| C22 | C19 | C18 | H25 | 119.1° | 120.2° |
| C22 | C19 | C18 | C17 | 179.9° | 177.6° |
| C19 | C22 | O23 | H9 | 121.0° | 120.1° |
| C19 | C22 | O23 | H10 | 121.0° | 120.0° |
| C19 | C22 | O23 | C24 | 35.3° | 180.0° |
| C22 | C19 | C20 | H5 | 56.6° | 62.4° |
| C22 | C19 | C20 | H6 | 62.9° | 57.6° |
| C19 | C22 | H9 | H10 | 116.8° | 120.0° |
| C22 | C19 | C18 | H23 | 59.7° | 57.6° |
| C22 | C19 | C18 | H24 | 59.5° | 62.5° |
| C19 | C18 | C17 | H23 | 120.4° | 120.0° |
| C19 | C18 | C17 | H24 | 120.4° | 120.0° |
| C18 | C19 | C22 | O23 | 49.5° | 65.3° |
| C19 | C18 | C17 | H3 | 168.1° | 60.8° |
| C19 | C18 | C17 | H4 | 73.6° | 179.2° |
| C18 | C19 | C20 | H5 | 179.4° | 177.6° |
| C18 | C19 | C20 | H6 | 61.1° | 62.3° |
| C18 | C19 | C22 | H9 | 170.5° | 174.6° |
| C18 | C19 | C22 | H10 | 71.6° | 54.7° |
| C19 | C18 | H23 | H24 | 118.7° | 120.1° |
| C18 | C17 | H3 | H4 | 117.3° | 119.9° |
| C17 | C18 | H23 | H24 | 118.8° | 120.0° |
| C17 | C18 | C19 | H25 | 61.1° | 62.2° |
| C22 | O23 | C24 | O25 | 15.4° | 0.0° |
| C22 | O23 | C24 | C26 | 163.7° | 180.0° |
| O23 | C22 | H9 | H10 | 116.8° | 120.0° |
| O23 | C22 | C19 | H25 | 69.8° | 54.8° |
| O25 | C24 | O23 | C26 | 179.2° | 180.0° |
| O25 | C24 | C26 | C30 | 1.4° | 0.0° |
| O25 | C24 | C26 | C27 | 176.8° | 179.7° |
| O23 | C24 | C26 | C30 | 179.5° | 180.0° |
| O23 | C24 | C26 | C27 | 2.4° | 0.3° |
| C24 | O23 | C22 | H9 | 85.8° | 60.0° |
| C24 | O23 | C22 | H10 | 156.3° | 60.0° |
| C24 | C26 | C30 | C27 | 178.5° | 179.8° |
| C24 | C26 | C30 | C31 | 1.1° | 0.0° |
| C24 | C26 | C30 | C29 | 178.3° | 180.0° |
| C24 | C26 | C27 | N28 | 178.7° | 180.0° |
| C24 | C26 | C27 | H26 | 1.3° | 0.1° |
| C26 | C30 | C31 | C29 | 179.4° | 180.0° |
| C26 | C30 | C31 | C32 | 179.6° | 180.0° |
| C30 | C26 | C27 | N28 | 0.2° | 0.2° |
| C26 | C30 | C29 | N28 | 0.5° | 0.1° |
| C26 | C30 | C29 | C34 | 179.8° | 180.0° |
| C30 | C26 | C27 | H26 | 179.8° | 179.9° |
| C26 | C30 | C31 | H27 | 0.4° | 0.1° |
| C27 | C26 | C30 | C31 | 179.6° | 179.8° |
| C27 | C26 | C30 | C29 | 0.2° | 0.2° |
| C26 | C27 | N28 | H26 | 180.0° | 179.9° |
| C26 | C27 | N28 | C29 | 0.5° | 0.1° |
| C26 | C27 | N28 | H36 | 179.5° | 180.0° |
| C30 | C31 | C32 | H27 | 180.0° | 179.9° |
| C30 | C31 | C32 | C33 | 0.1° | 0.1° |
| C31 | C30 | C29 | N28 | 180.0° | 179.9° |
| C31 | C30 | C29 | C34 | 0.2° | 0.0° |
| C30 | C31 | C32 | H28 | 179.9° | 180.0° |
| C32 | C31 | C30 | C29 | 0.2° | 0.0° |
| C31 | C32 | C33 | H28 | 180.0° | 180.0° |
| C31 | C32 | C33 | C34 | 0.0° | 0.0° |
| C31 | C32 | C33 | H29 | 180.0° | 180.0° |
| C30 | C29 | N28 | C27 | 0.6° | 0.0° |
| C30 | C29 | N28 | C34 | 179.7° | 179.9° |
| C30 | C29 | C34 | C33 | 0.1° | 0.1° |
| C29 | C30 | C31 | H27 | 179.8° | 179.9° |
| C30 | C29 | C34 | H30 | 179.8° | 179.9° |
| C30 | C29 | N28 | H36 | 179.4° | 179.9° |
| C27 | N28 | C29 | H36 | 180.0° | 179.8° |
| C27 | N28 | C29 | C34 | 179.7° | 179.9° |
| C32 | C33 | C34 | C29 | 0.0° | 0.0° |
| C32 | C33 | C34 | H29 | 180.0° | 180.0° |
| C33 | C32 | C31 | H27 | 179.9° | 179.9° |
| C32 | C33 | C34 | H30 | 179.9° | 179.9° |
| N28 | C29 | C34 | C33 | 179.8° | 179.8° |
| C29 | N28 | C27 | H26 | 179.5° | 179.9° |
| N28 | C29 | C34 | H30 | 0.1° | 0.0° |
| C29 | C34 | C33 | H30 | 180.0° | 179.8° |
| C29 | C34 | C33 | H29 | 180.0° | 180.0° |
| C34 | C29 | N28 | H36 | 0.3° | 0.0° |
| C34 | C33 | C32 | H28 | 180.0° | 180.0° |
| H1 | C15 | C14 | H21 | 88.6° | 60.0° |
| H1 | C15 | C14 | H22 | 31.9° | 180.0° |
| H2 | C15 | C14 | H21 | 151.7° | NaN° |
| H2 | C15 | C14 | H22 | 87.8° | 60.0° |
| H3 | C17 | C18 | H23 | 71.5° | 179.2° |
| H3 | C17 | C18 | H24 | 47.7° | 59.1° |
| H4 | C17 | C18 | H23 | 46.8° | 59.3° |
| H4 | C17 | C18 | H24 | 166.0° | 60.8° |
| H5 | C20 | C21 | H7 | 65.7° | 60.8° |
| H5 | C20 | C21 | H8 | 52.5° | 59.1° |
| H5 | C20 | C19 | H25 | 61.9° | 57.8° |
| H6 | C20 | C21 | H7 | 53.8° | 59.3° |
| H6 | C20 | C21 | H8 | 172.0° | 179.2° |
| H6 | C20 | C19 | H25 | 178.6° | 177.8° |
| H9 | C22 | C19 | H25 | 51.2° | 65.2° |
| H10 | C22 | C19 | H25 | 169.1° | 174.8° |
| H11 | C01 | H12 | H13 | 120.0° | 120.0° |
| H11 | C01 | C02 | H14 | 65.5° | 179.9° |
| H12 | C01 | C02 | H14 | 54.5° | 60.0° |
| H13 | C01 | C02 | H14 | 174.5° | 59.9° |
| H14 | C02 | C03 | H15 | 121.4° | 65.0° |
| H14 | C02 | C03 | H16 | 4.2° | 174.9° |
| H14 | C02 | C35 | H31 | 66.1° | NaN° |
| H14 | C02 | C35 | H32 | 173.9° | 60.0° |
| H14 | C02 | C35 | H33 | 53.9° | 60.0° |
| H17 | C05 | C06 | H18 | 0.2° | 0.0° |
| H19 | C08 | C09 | H20 | 0.5° | 0.5° |
| H21 | C14 | N13 | H34 | 125.6° | 135.1° |
| H22 | C14 | N13 | H34 | 113.9° | 104.9° |
| H23 | C18 | C19 | H25 | 59.4° | 177.8° |
| H24 | C18 | C19 | H25 | 178.5° | 57.7° |
| H26 | C27 | N28 | H36 | 0.5° | 0.1° |
| H27 | C31 | C32 | H28 | 0.1° | 0.1° |
| H28 | C32 | C33 | H29 | 0.0° | 0.0° |
| H29 | C33 | C34 | H30 | 0.1° | 0.1° |
| H31 | C35 | H32 | H33 | 120.0° | 120.0° |
