A1ECR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C34 | C33 | sing | 1.51Å | 1.53Å | |
| N32 | C33 | doub | 1.32Å | 1.32Å | Aromatic |
| N32 | C31 | sing | 1.32Å | 1.33Å | Aromatic |
| C33 | C05 | sing | 1.40Å | 1.42Å | Aromatic |
| C35 | C31 | sing | 1.51Å | 1.53Å | |
| C31 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
| C05 | N04 | sing | 1.36Å | 1.36Å | Aromatic |
| C05 | C06 | doub | 1.41Å | 1.36Å | Aromatic |
| N04 | C03 | doub | 1.30Å | 1.33Å | Aromatic |
| C30 | C06 | sing | 1.39Å | 1.42Å | Aromatic |
| C06 | N07 | sing | 1.38Å | 1.35Å | Aromatic |
| C03 | N07 | sing | 1.36Å | 1.33Å | Aromatic |
| C03 | C02 | sing | 1.51Å | 1.52Å | |
| N07 | C08 | sing | 1.40Å | 1.45Å | |
| C01 | C02 | sing | 1.53Å | 1.53Å | |
| C29 | C26 | sing | 1.51Å | 1.53Å | |
| C08 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C08 | C09 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | C26 | doub | 1.38Å | 1.38Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.38Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| C09 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C14 | sing | 1.51Å | 1.53Å | |
| C23 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | S20 | sing | 1.76Å | 1.82Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| N19 | S20 | sing | 1.66Å | 1.71Å | |
| N19 | C17 | sing | 1.35Å | 1.45Å | |
| S20 | O21 | doub | 1.42Å | 1.46Å | |
| S20 | O22 | doub | 1.42Å | 1.46Å | |
| N16 | C17 | sing | 1.35Å | 1.45Å | |
| N16 | C15 | sing | 1.47Å | 1.45Å | |
| C17 | O18 | doub | 1.22Å | 1.18Å | |
| C14 | H1 | sing | 1.09Å | 1.10Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.08Å | 1.08Å | |
| C12 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C02 | H9 | sing | 1.09Å | 1.10Å | |
| C02 | H10 | sing | 1.09Å | 1.10Å | |
| C09 | H11 | sing | 1.08Å | 1.08Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C24 | H14 | sing | 1.08Å | 1.08Å | |
| C25 | H15 | sing | 1.08Å | 1.08Å | |
| C27 | H16 | sing | 1.08Å | 1.08Å | |
| C28 | H17 | sing | 1.08Å | 1.08Å | |
| C29 | H18 | sing | 1.09Å | 1.10Å | |
| C29 | H19 | sing | 1.09Å | 1.10Å | |
| C29 | H20 | sing | 1.09Å | 1.10Å | |
| C30 | H21 | sing | 1.08Å | 1.08Å | |
| C34 | H22 | sing | 1.09Å | 1.10Å | |
| C34 | H23 | sing | 1.09Å | 1.10Å | |
| C34 | H24 | sing | 1.09Å | 1.10Å | |
| C35 | H25 | sing | 1.09Å | 1.10Å | |
| C35 | H26 | sing | 1.09Å | 1.10Å | |
| C35 | H27 | sing | 1.09Å | 1.10Å | |
| N16 | H28 | sing | 0.97Å | 1.00Å | |
| N19 | H29 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C34 | C33 | N32 | 119.5° | 119.9° |
| C34 | C33 | C05 | 119.5° | 119.9° |
| C33 | C34 | H22 | 109.5° | 109.5° |
| C33 | C34 | H23 | 109.5° | 109.5° |
| C33 | C34 | H24 | 109.5° | 109.5° |
| C33 | N32 | C31 | 121.2° | 122.4° |
| N32 | C33 | C05 | 121.1° | 120.2° |
| N32 | C31 | C35 | 119.4° | 119.4° |
| N32 | C31 | C30 | 121.2° | 121.3° |
| C33 | C05 | N04 | 133.4° | 134.4° |
| C33 | C05 | C06 | 119.2° | 118.6° |
| C35 | C31 | C30 | 119.4° | 119.3° |
| C31 | C35 | H25 | 109.5° | 109.5° |
| C31 | C35 | H26 | 109.5° | 109.4° |
| C31 | C35 | H27 | 109.5° | 109.4° |
| C31 | C30 | C06 | 119.0° | 118.8° |
| C31 | C30 | H21 | 120.5° | 120.6° |
| N04 | C05 | C06 | 107.4° | 106.9° |
| C05 | N04 | C03 | 108.4° | 109.6° |
| C05 | C06 | C30 | 118.2° | 118.7° |
| C05 | C06 | N07 | 106.9° | 106.1° |
| N04 | C03 | N07 | 108.4° | 110.0° |
| N04 | C03 | C02 | 125.8° | 125.0° |
| C30 | C06 | N07 | 134.8° | 135.3° |
| C06 | C30 | H21 | 120.5° | 120.6° |
| C06 | N07 | C03 | 108.9° | 107.3° |
| C06 | N07 | C08 | 125.8° | 126.3° |
| N07 | C03 | C02 | 125.8° | 125.0° |
| C03 | N07 | C08 | 125.3° | 126.3° |
| C03 | C02 | C01 | 112.3° | 109.5° |
| C03 | C02 | H9 | 108.8° | 109.4° |
| C03 | C02 | H10 | 108.7° | 109.4° |
| N07 | C08 | C13 | 119.6° | 120.1° |
| N07 | C08 | C09 | 120.4° | 120.1° |
| C02 | C01 | H6 | 109.5° | 109.4° |
| C02 | C01 | H7 | 109.4° | 109.5° |
| C02 | C01 | H8 | 109.5° | 109.5° |
| C01 | C02 | H9 | 108.7° | 109.5° |
| C01 | C02 | H10 | 108.7° | 109.4° |
| C29 | C26 | C27 | 120.0° | 120.0° |
| C29 | C26 | C25 | 119.9° | 120.0° |
| C26 | C29 | H18 | 109.5° | 109.5° |
| C26 | C29 | H19 | 109.5° | 109.5° |
| C26 | C29 | H20 | 109.5° | 109.5° |
| C13 | C08 | C09 | 120.0° | 119.9° |
| C08 | C13 | C12 | 120.1° | 119.9° |
| C08 | C13 | H3 | 120.0° | 120.0° |
| C08 | C09 | C10 | 119.9° | 120.0° |
| C08 | C09 | H11 | 120.0° | 120.0° |
| C13 | C12 | C11 | 119.9° | 120.1° |
| C12 | C13 | H3 | 119.9° | 120.1° |
| C13 | C12 | H4 | 120.0° | 120.0° |
| C26 | C27 | C28 | 120.0° | 120.0° |
| C27 | C26 | C25 | 120.1° | 120.0° |
| C26 | C27 | H16 | 120.0° | 120.0° |
| C27 | C28 | C23 | 119.9° | 120.0° |
| C28 | C27 | H16 | 120.0° | 120.0° |
| C27 | C28 | H17 | 120.1° | 120.0° |
| C26 | C25 | C24 | 120.0° | 120.0° |
| C26 | C25 | H15 | 120.0° | 120.0° |
| C09 | C10 | C11 | 120.0° | 120.1° |
| C09 | C10 | H5 | 120.0° | 120.0° |
| C10 | C09 | H11 | 120.1° | 120.0° |
| C12 | C11 | C10 | 120.1° | 120.1° |
| C12 | C11 | C14 | 119.7° | 119.9° |
| C11 | C12 | H4 | 120.1° | 119.9° |
| C28 | C23 | C24 | 120.1° | 120.0° |
| C28 | C23 | S20 | 120.0° | 120.0° |
| C23 | C28 | H17 | 120.0° | 120.0° |
| C25 | C24 | C23 | 120.0° | 120.0° |
| C25 | C24 | H14 | 120.0° | 120.0° |
| C24 | C25 | H15 | 120.0° | 120.0° |
| C10 | C11 | C14 | 120.2° | 120.0° |
| C11 | C10 | H5 | 120.0° | 120.0° |
| C11 | C14 | C15 | 112.7° | 109.5° |
| C11 | C14 | H1 | 108.7° | 109.5° |
| C11 | C14 | H2 | 108.6° | 109.5° |
| C24 | C23 | S20 | 119.9° | 120.0° |
| C23 | C24 | H14 | 120.1° | 120.0° |
| C23 | S20 | N19 | 110.2° | 107.2° |
| C23 | S20 | O21 | 110.8° | 106.4° |
| C23 | S20 | O22 | 111.4° | 106.4° |
| C14 | C15 | N16 | 110.7° | 109.5° |
| C15 | C14 | H1 | 108.7° | 109.4° |
| C15 | C14 | H2 | 108.6° | 109.5° |
| C14 | C15 | H12 | 109.1° | 109.4° |
| C14 | C15 | H13 | 109.2° | 109.5° |
| S20 | N19 | C17 | 121.3° | 120.0° |
| N19 | S20 | O21 | 111.2° | 106.4° |
| N19 | S20 | O22 | 111.9° | 106.4° |
| S20 | N19 | H29 | 119.3° | 120.0° |
| N19 | C17 | N16 | 119.7° | 120.0° |
| N19 | C17 | O18 | 120.4° | 120.0° |
| C17 | N19 | H29 | 119.4° | 120.0° |
| O21 | S20 | O22 | 101.0° | 123.2° |
| C17 | N16 | C15 | 120.3° | 120.0° |
| N16 | C17 | O18 | 119.9° | 120.0° |
| C17 | N16 | H28 | 119.8° | 120.0° |
| N16 | C15 | H12 | 109.2° | 109.4° |
| N16 | C15 | H13 | 109.1° | 109.5° |
| C15 | N16 | H28 | 119.9° | 120.0° |
| H1 | C14 | H2 | 109.5° | 109.4° |
| H6 | C01 | H7 | 109.5° | 109.5° |
| H6 | C01 | H8 | 109.5° | 109.4° |
| H7 | C01 | H8 | 109.5° | 109.5° |
| H9 | C02 | H10 | 109.5° | 109.5° |
| H12 | C15 | H13 | 109.5° | 109.4° |
| H18 | C29 | H19 | 109.5° | 109.5° |
| H18 | C29 | H20 | 109.5° | 109.5° |
| H19 | C29 | H20 | 109.5° | 109.4° |
| H22 | C34 | H23 | 109.5° | 109.5° |
| H22 | C34 | H24 | 109.5° | 109.4° |
| H23 | C34 | H24 | 109.5° | 109.4° |
| H25 | C35 | H26 | 109.5° | 109.5° |
| H25 | C35 | H27 | 109.4° | 109.5° |
| H26 | C35 | H27 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C34 | C33 | N32 | C05 | 180.0° | 179.9° |
| C34 | C33 | N32 | C31 | 180.0° | 179.7° |
| C34 | C33 | C05 | N04 | 0.0° | 0.1° |
| C34 | C33 | C05 | C06 | 179.9° | 179.7° |
| C33 | C34 | H22 | H23 | 120.0° | 120.0° |
| C33 | C34 | H22 | H24 | 120.0° | 120.0° |
| C33 | C34 | H23 | H24 | 120.0° | 120.0° |
| C33 | N32 | C31 | C35 | 180.0° | 179.8° |
| C33 | N32 | C31 | C30 | 0.0° | 0.2° |
| N32 | C33 | C05 | N04 | 180.0° | 179.9° |
| N32 | C33 | C05 | C06 | 0.2° | 0.4° |
| N32 | C33 | C34 | H22 | 0.0° | 89.9° |
| N32 | C33 | C34 | H23 | 120.0° | 30.2° |
| N32 | C33 | C34 | H24 | 120.0° | 150.2° |
| C31 | N32 | C33 | C05 | 0.0° | 0.4° |
| N32 | C31 | C35 | C30 | 179.9° | 180.0° |
| N32 | C31 | C30 | C06 | 0.2° | 0.0° |
| N32 | C31 | C30 | H21 | 179.8° | 180.0° |
| N32 | C31 | C35 | H25 | 0.0° | 90.0° |
| N32 | C31 | C35 | H26 | 120.0° | 30.0° |
| N32 | C31 | C35 | H27 | 120.0° | 150.0° |
| C33 | C05 | N04 | C06 | 179.8° | 179.7° |
| C33 | C05 | N04 | C03 | 179.9° | 179.9° |
| C33 | C05 | C06 | C30 | 0.3° | 0.2° |
| C33 | C05 | C06 | N07 | 179.9° | 179.8° |
| C05 | C33 | C34 | H22 | 180.0° | 90.0° |
| C05 | C33 | C34 | H23 | 60.0° | 150.0° |
| C05 | C33 | C34 | H24 | 60.0° | 30.0° |
| C35 | C31 | C30 | C06 | 179.9° | 180.0° |
| C35 | C31 | C30 | H21 | 0.1° | 0.0° |
| C31 | C35 | H25 | H26 | 120.0° | 120.0° |
| C31 | C35 | H25 | H27 | 120.0° | 120.0° |
| C31 | C35 | H26 | H27 | 120.0° | 119.9° |
| C31 | C30 | C06 | C05 | 0.3° | 0.0° |
| C31 | C30 | C06 | H21 | 180.0° | 180.0° |
| C31 | C30 | C06 | N07 | 179.8° | 179.5° |
| C30 | C31 | C35 | H25 | 180.0° | 90.0° |
| C30 | C31 | C35 | H26 | 60.0° | 150.0° |
| C30 | C31 | C35 | H27 | 60.1° | 30.0° |
| N04 | C05 | C06 | C30 | 179.8° | 180.0° |
| N04 | C05 | C06 | N07 | 0.2° | 0.4° |
| C05 | N04 | C03 | N07 | 0.0° | 0.0° |
| C05 | N04 | C03 | C02 | 180.0° | 179.7° |
| C06 | C05 | N04 | C03 | 0.1° | 0.3° |
| C05 | C06 | C30 | N07 | 179.5° | 179.4° |
| C05 | C06 | N07 | C03 | 0.2° | 0.5° |
| C05 | C06 | N07 | C08 | 179.9° | 179.6° |
| C05 | C06 | C30 | H21 | 179.7° | 180.0° |
| N04 | C03 | N07 | C06 | 0.2° | 0.3° |
| N04 | C03 | N07 | C02 | 179.9° | 179.7° |
| N04 | C03 | N07 | C08 | 179.9° | 179.8° |
| N04 | C03 | C02 | C01 | 34.2° | 89.6° |
| N04 | C03 | C02 | H9 | 86.2° | 150.3° |
| N04 | C03 | C02 | H10 | 154.6° | 30.3° |
| C30 | C06 | N07 | C03 | 179.8° | 179.9° |
| C30 | C06 | N07 | C08 | 0.3° | 0.2° |
| C06 | N07 | C03 | C08 | 179.9° | 179.9° |
| C06 | N07 | C03 | C02 | 179.9° | 180.0° |
| C06 | N07 | C08 | C13 | 85.9° | 114.9° |
| C06 | N07 | C08 | C09 | 94.4° | 65.7° |
| N07 | C06 | C30 | H21 | 0.2° | 0.6° |
| N07 | C03 | C02 | C01 | 145.7° | 90.0° |
| C03 | N07 | C08 | C13 | 94.2° | 65.0° |
| C03 | N07 | C08 | C09 | 85.5° | 114.4° |
| N07 | C03 | C02 | H9 | 93.9° | 30.1° |
| N07 | C03 | C02 | H10 | 25.3° | 150.1° |
| C02 | C03 | N07 | C08 | 0.0° | 0.1° |
| C03 | C02 | C01 | H9 | 120.4° | 120.0° |
| C03 | C02 | C01 | H10 | 120.4° | 119.9° |
| C03 | C02 | C01 | H6 | 180.0° | 60.1° |
| C03 | C02 | C01 | H7 | 60.0° | 60.0° |
| C03 | C02 | C01 | H8 | 60.0° | 180.0° |
| C03 | C02 | H9 | H10 | 118.7° | 120.0° |
| N07 | C08 | C13 | C09 | 179.7° | 179.4° |
| N07 | C08 | C13 | C12 | 179.8° | 180.0° |
| N07 | C08 | C09 | C10 | 179.9° | 180.0° |
| N07 | C08 | C13 | H3 | 0.2° | 0.3° |
| N07 | C08 | C09 | H11 | 0.1° | 0.6° |
| C02 | C01 | H6 | H7 | 120.0° | 120.0° |
| C02 | C01 | H6 | H8 | 120.0° | 119.9° |
| C02 | C01 | H7 | H8 | 120.0° | 120.0° |
| C01 | C02 | H9 | H10 | 118.7° | 120.0° |
| C29 | C26 | C27 | C25 | 180.0° | 180.0° |
| C29 | C26 | C27 | C28 | 180.0° | 179.7° |
| C29 | C26 | C25 | C24 | 180.0° | 180.0° |
| C29 | C26 | C25 | H15 | 0.0° | 0.0° |
| C29 | C26 | C27 | H16 | 0.0° | 0.1° |
| C26 | C29 | H18 | H19 | 120.0° | 120.0° |
| C26 | C29 | H18 | H20 | 120.0° | 120.0° |
| C26 | C29 | H19 | H20 | 120.0° | 120.0° |
| C08 | C13 | C12 | H3 | 180.0° | 179.7° |
| C13 | C08 | C09 | C10 | 0.2° | 0.6° |
| C08 | C13 | C12 | C11 | 0.0° | 0.3° |
| C08 | C13 | C12 | H4 | 180.0° | 179.7° |
| C13 | C08 | C09 | H11 | 179.8° | 180.0° |
| C09 | C08 | C13 | C12 | 0.1° | 0.6° |
| C08 | C09 | C10 | H11 | 180.0° | 179.4° |
| C08 | C09 | C10 | C11 | 0.1° | 0.3° |
| C09 | C08 | C13 | H3 | 179.9° | 179.7° |
| C08 | C09 | C10 | H5 | 179.9° | 179.7° |
| C13 | C12 | C11 | H4 | 180.0° | 179.9° |
| C13 | C12 | C11 | C10 | 0.0° | 0.1° |
| C13 | C12 | C11 | C14 | 179.9° | 180.0° |
| C26 | C27 | C28 | H16 | 180.0° | 179.8° |
| C26 | C27 | C28 | C23 | 0.0° | 0.5° |
| C27 | C26 | C25 | C24 | 0.0° | 0.0° |
| C27 | C26 | C25 | H15 | 180.0° | 180.0° |
| C26 | C27 | C28 | H17 | 180.0° | 180.0° |
| C27 | C26 | C29 | H18 | 90.0° | 90.0° |
| C27 | C26 | C29 | H19 | 150.0° | 30.0° |
| C27 | C26 | C29 | H20 | 30.0° | 150.0° |
| C28 | C27 | C26 | C25 | 0.0° | 0.2° |
| C27 | C28 | C23 | H17 | 180.0° | 179.4° |
| C27 | C28 | C23 | C24 | 0.0° | 0.6° |
| C27 | C28 | C23 | S20 | 180.0° | 179.7° |
| C26 | C25 | C24 | H15 | 180.0° | 180.0° |
| C26 | C25 | C24 | C23 | 0.1° | 0.0° |
| C26 | C25 | C24 | H14 | 179.9° | 180.0° |
| C25 | C26 | C27 | H16 | 180.0° | 180.0° |
| C25 | C26 | C29 | H18 | 90.0° | 90.0° |
| C25 | C26 | C29 | H19 | 30.0° | 150.0° |
| C25 | C26 | C29 | H20 | 150.0° | 30.0° |
| C09 | C10 | C11 | C12 | 0.0° | 0.0° |
| C09 | C10 | C11 | H5 | 180.0° | 180.0° |
| C09 | C10 | C11 | C14 | 180.0° | 180.0° |
| C12 | C11 | C10 | C14 | 179.9° | 179.9° |
| C12 | C11 | C14 | C15 | 105.5° | 90.1° |
| C12 | C11 | C14 | H1 | 134.0° | 150.0° |
| C12 | C11 | C14 | H2 | 15.0° | 30.0° |
| C11 | C12 | C13 | H3 | 180.0° | 180.0° |
| C12 | C11 | C10 | H5 | 180.0° | 180.0° |
| C28 | C23 | C24 | C25 | 0.1° | 0.3° |
| C28 | C23 | C24 | S20 | 179.9° | 179.7° |
| C28 | C23 | S20 | N19 | 26.2° | 90.3° |
| C28 | C23 | S20 | O21 | 97.3° | 23.2° |
| C28 | C23 | S20 | O22 | 151.1° | 156.2° |
| C28 | C23 | C24 | H14 | 179.9° | 179.7° |
| C23 | C28 | C27 | H16 | 180.0° | 179.7° |
| C25 | C24 | C23 | H14 | 180.0° | 180.0° |
| C25 | C24 | C23 | S20 | 180.0° | 180.0° |
| C10 | C11 | C14 | C15 | 74.6° | 90.0° |
| C10 | C11 | C14 | H1 | 45.9° | 29.9° |
| C10 | C11 | C14 | H2 | 165.0° | 149.9° |
| C10 | C11 | C12 | H4 | 180.0° | 180.0° |
| C11 | C10 | C09 | H11 | 179.8° | 179.7° |
| C11 | C14 | C15 | H1 | 120.5° | 120.0° |
| C11 | C14 | C15 | H2 | 120.5° | 120.1° |
| C11 | C14 | C15 | N16 | 34.5° | 180.0° |
| C11 | C14 | H1 | H2 | 118.5° | 120.0° |
| C14 | C11 | C12 | H4 | 0.1° | 0.1° |
| C14 | C11 | C10 | H5 | 0.0° | 0.0° |
| C11 | C14 | C15 | H12 | 85.7° | 60.0° |
| C11 | C14 | C15 | H13 | 154.7° | 59.9° |
| C24 | C23 | S20 | N19 | 153.8° | 90.0° |
| C24 | C23 | S20 | O21 | 82.8° | 156.5° |
| C24 | C23 | S20 | O22 | 28.9° | 23.5° |
| C23 | C24 | C25 | H15 | 179.9° | 180.0° |
| C24 | C23 | C28 | H17 | 180.0° | 180.0° |
| C23 | S20 | N19 | O21 | 123.3° | 113.5° |
| C23 | S20 | N19 | O22 | 124.6° | 113.5° |
| C23 | S20 | N19 | C17 | 93.6° | 65.0° |
| C23 | S20 | O21 | O22 | 118.2° | 123.0° |
| S20 | C23 | C24 | H14 | 0.0° | 0.0° |
| S20 | C23 | C28 | H17 | 0.1° | 0.3° |
| C23 | S20 | N19 | H29 | 86.4° | 115.0° |
| C14 | C15 | N16 | C17 | 95.6° | 180.0° |
| C14 | C15 | N16 | H12 | 120.2° | 119.9° |
| C14 | C15 | N16 | H13 | 120.2° | 120.1° |
| C15 | C14 | H1 | H2 | 118.5° | 120.0° |
| C14 | C15 | H12 | H13 | 119.4° | 120.0° |
| C14 | C15 | N16 | H28 | 84.3° | 0.1° |
| S20 | N19 | C17 | H29 | 180.0° | 180.0° |
| N19 | S20 | O21 | O22 | 118.9° | 123.0° |
| S20 | N19 | C17 | N16 | 180.0° | 180.0° |
| S20 | N19 | C17 | O18 | 0.1° | 0.0° |
| C17 | N19 | S20 | O21 | 143.1° | 48.5° |
| C17 | N19 | S20 | O22 | 31.0° | 178.5° |
| N19 | C17 | N16 | O18 | 179.9° | 179.9° |
| N19 | C17 | N16 | C15 | 180.0° | 180.0° |
| N19 | C17 | N16 | H28 | 0.0° | 0.1° |
| O21 | S20 | N19 | H29 | 36.9° | 131.4° |
| O22 | S20 | N19 | H29 | 149.0° | 1.5° |
| C17 | N16 | C15 | H28 | 180.0° | 179.9° |
| C17 | N16 | C15 | H12 | 144.2° | 60.1° |
| C17 | N16 | C15 | H13 | 24.5° | 59.9° |
| N16 | C17 | N19 | H29 | 0.1° | 0.0° |
| C15 | N16 | C17 | O18 | 0.1° | 0.1° |
| N16 | C15 | C14 | H1 | 155.0° | 60.1° |
| N16 | C15 | C14 | H2 | 85.9° | 59.9° |
| N16 | C15 | H12 | H13 | 119.4° | 120.0° |
| O18 | C17 | N16 | H28 | 179.9° | 180.0° |
| O18 | C17 | N19 | H29 | 179.9° | 180.0° |
| H1 | C14 | C15 | H12 | 34.8° | NaN° |
| H1 | C14 | C15 | H13 | 84.8° | 60.0° |
| H2 | C14 | C15 | H12 | 153.9° | 60.0° |
| H2 | C14 | C15 | H13 | 34.2° | 180.0° |
| H3 | C13 | C12 | H4 | 0.0° | 0.1° |
| H5 | C10 | C09 | H11 | 0.2° | 0.3° |
| H6 | C01 | H7 | H8 | 120.0° | 120.0° |
| H6 | C01 | C02 | H9 | 59.6° | 59.9° |
| H6 | C01 | C02 | H10 | 59.6° | 180.0° |
| H7 | C01 | C02 | H9 | 179.6° | 180.0° |
| H7 | C01 | C02 | H10 | 60.4° | 59.9° |
| H8 | C01 | C02 | H9 | 60.4° | 60.0° |
| H8 | C01 | C02 | H10 | 179.6° | 60.1° |
| H12 | C15 | N16 | H28 | 35.8° | 120.0° |
| H13 | C15 | N16 | H28 | 155.5° | 120.0° |
| H14 | C24 | C25 | H15 | 0.1° | 0.0° |
| H16 | C27 | C28 | H17 | 0.0° | 0.2° |
| H18 | C29 | H19 | H20 | 120.0° | 120.0° |
| H22 | C34 | H23 | H24 | 120.0° | 120.0° |
| H25 | C35 | H26 | H27 | 120.0° | 120.1° |
