59P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1' | S1' | sing | 1.52Å | 1.50Å | |
| C12 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.36Å | 1.39Å | Aromatic |
| O2' | S1' | doub | 1.42Å | 1.50Å | |
| S1' | O3' | doub | 1.42Å | 1.50Å | |
| S1' | C9' | sing | 1.76Å | 1.75Å | |
| C12' | C11' | doub | 1.36Å | 1.39Å | Aromatic |
| C12' | C13' | sing | 1.39Å | 1.39Å | Aromatic |
| C11' | C10' | sing | 1.40Å | 1.39Å | Aromatic |
| C10' | C9' | doub | 1.41Å | 1.39Å | Aromatic |
| C10' | C15' | sing | 1.42Å | 1.39Å | Aromatic |
| C9' | C8' | sing | 1.36Å | 1.39Å | Aromatic |
| C8' | C7' | doub | 1.41Å | 1.39Å | Aromatic |
| C13' | C14' | doub | 1.36Å | 1.39Å | Aromatic |
| C14' | C15' | sing | 1.40Å | 1.39Å | Aromatic |
| C15' | C16' | doub | 1.41Å | 1.39Å | Aromatic |
| C16' | C7' | sing | 1.40Å | 1.39Å | Aromatic |
| C16' | N3' | sing | 1.38Å | 1.33Å | |
| C7' | N2' | sing | 1.36Å | 1.33Å | |
| N2' | N1' | doub | 1.29Å | 1.23Å | |
| N1' | C4' | sing | 1.36Å | 1.33Å | |
| C4' | C5' | doub | 1.40Å | 1.39Å | Aromatic |
| C4' | C3' | sing | 1.40Å | 1.39Å | Aromatic |
| C5' | C6' | sing | 1.37Å | 1.39Å | Aromatic |
| C6' | C1' | doub | 1.40Å | 1.39Å | Aromatic |
| O1 | S1 | sing | 1.52Å | 1.50Å | |
| C3' | C2' | doub | 1.37Å | 1.39Å | Aromatic |
| C2' | C1' | sing | 1.40Å | 1.39Å | Aromatic |
| C1' | C1 | sing | 1.48Å | 1.39Å | |
| C1 | C2 | doub | 1.40Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.40Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.37Å | 1.39Å | Aromatic |
| C3 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
| S1 | O2 | doub | 1.42Å | 1.50Å | |
| S1 | O3 | doub | 1.42Å | 1.50Å | |
| S1 | C9 | sing | 1.76Å | 1.75Å | |
| N3 | C16 | sing | 1.38Å | 1.33Å | |
| C6 | C5 | doub | 1.37Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.40Å | 1.39Å | Aromatic |
| C4 | N1 | sing | 1.36Å | 1.33Å | |
| N1 | N2 | doub | 1.29Å | 1.23Å | |
| N2 | C7 | sing | 1.36Å | 1.33Å | |
| C7 | C16 | doub | 1.40Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.41Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.41Å | 1.39Å | Aromatic |
| C15 | C14 | doub | 1.40Å | 1.39Å | Aromatic |
| C15 | C10 | sing | 1.42Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.36Å | 1.39Å | Aromatic |
| C8 | C9 | doub | 1.36Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.41Å | 1.39Å | Aromatic |
| C10 | C11 | doub | 1.40Å | 1.39Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C12' | H12' | sing | 1.08Å | 1.08Å | |
| C11' | H11' | sing | 1.08Å | 1.08Å | |
| C8' | H8' | sing | 1.08Å | 1.08Å | |
| C13' | H13' | sing | 1.08Å | 1.08Å | |
| C14' | H14' | sing | 1.08Å | 1.08Å | |
| C5' | H5' | sing | 1.08Å | 1.08Å | |
| C6' | H6' | sing | 1.08Å | 1.08Å | |
| N3' | HN1' | sing | 0.97Å | 1.00Å | |
| N3' | HN2' | sing | 0.97Å | 1.00Å | |
| C3' | H3' | sing | 1.08Å | 1.08Å | |
| C2' | H2' | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| N3 | HN2 | sing | 0.97Å | 1.00Å | |
| N3 | HN1 | sing | 0.97Å | 1.00Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| O1' | H1 | sing | 0.97Å | 0.95Å | |
| O1 | H4 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1' | S1' | O2' | 108.8° | 106.4° |
| O1' | S1' | O3' | 108.6° | 106.4° |
| O1' | S1' | C9' | 110.0° | 107.2° |
| S1' | O1' | H1 | 109.5° | 114.0° |
| C13 | C12 | C11 | 120.0° | 121.0° |
| C12 | C13 | C14 | 119.9° | 120.9° |
| C13 | C12 | H12 | 120.0° | 119.6° |
| C12 | C13 | H13 | 120.1° | 119.5° |
| C12 | C11 | C10 | 120.0° | 119.8° |
| C11 | C12 | H12 | 120.0° | 119.5° |
| C12 | C11 | H11 | 120.0° | 120.1° |
| O2' | S1' | O3' | 108.4° | 123.1° |
| O2' | S1' | C9' | 110.3° | 106.4° |
| O3' | S1' | C9' | 110.6° | 106.4° |
| S1' | C9' | C10' | 120.0° | 119.9° |
| S1' | C9' | C8' | 120.3° | 119.8° |
| C11' | C12' | C13' | 119.8° | 121.0° |
| C12' | C11' | C10' | 120.1° | 119.8° |
| C11' | C12' | H12' | 120.1° | 119.5° |
| C12' | C11' | H11' | 119.9° | 120.2° |
| C12' | C13' | C14' | 120.0° | 120.9° |
| C13' | C12' | H12' | 120.1° | 119.6° |
| C12' | C13' | H13' | 120.0° | 119.5° |
| C11' | C10' | C9' | 120.1° | 121.0° |
| C11' | C10' | C15' | 120.0° | 119.2° |
| C10' | C11' | H11' | 120.0° | 120.1° |
| C9' | C10' | C15' | 119.9° | 119.8° |
| C10' | C9' | C8' | 119.7° | 120.3° |
| C10' | C15' | C14' | 119.9° | 119.5° |
| C10' | C15' | C16' | 120.4° | 119.4° |
| C9' | C8' | C7' | 120.6° | 120.9° |
| C9' | C8' | H8' | 119.7° | 119.6° |
| C8' | C7' | C16' | 119.5° | 120.3° |
| C8' | C7' | N2' | 117.9° | 119.8° |
| C7' | C8' | H8' | 119.7° | 119.5° |
| C13' | C14' | C15' | 120.1° | 119.7° |
| C14' | C13' | H13' | 120.0° | 119.6° |
| C13' | C14' | H14' | 119.9° | 120.1° |
| C14' | C15' | C16' | 119.7° | 121.1° |
| C15' | C14' | H14' | 119.9° | 120.2° |
| C15' | C16' | C7' | 119.9° | 119.2° |
| C15' | C16' | N3' | 118.1° | 120.3° |
| C7' | C16' | N3' | 121.6° | 120.4° |
| C16' | C7' | N2' | 122.3° | 119.8° |
| C16' | N3' | HN1' | 109.5° | 120.0° |
| C16' | N3' | HN2' | 109.5° | 120.0° |
| C7' | N2' | N1' | 122.3° | 120.0° |
| N2' | N1' | C4' | 119.9° | 120.0° |
| N1' | C4' | C5' | 120.0° | 120.0° |
| N1' | C4' | C3' | 120.0° | 120.0° |
| C5' | C4' | C3' | 120.1° | 119.9° |
| C4' | C5' | C6' | 120.0° | 120.0° |
| C4' | C5' | H5' | 120.0° | 120.1° |
| C4' | C3' | C2' | 120.1° | 120.0° |
| C4' | C3' | H3' | 119.9° | 120.0° |
| C5' | C6' | C1' | 120.0° | 120.0° |
| C6' | C5' | H5' | 120.0° | 120.0° |
| C5' | C6' | H6' | 120.0° | 120.0° |
| C6' | C1' | C2' | 120.1° | 120.0° |
| C6' | C1' | C1 | 119.8° | 120.0° |
| C1' | C6' | H6' | 120.0° | 120.0° |
| O1 | S1 | O2 | 109.2° | 106.4° |
| O1 | S1 | O3 | 108.4° | 106.4° |
| O1 | S1 | C9 | 109.9° | 107.3° |
| S1 | O1 | H4 | 109.5° | 114.0° |
| C3' | C2' | C1' | 119.7° | 120.1° |
| C2' | C3' | H3' | 120.0° | 120.0° |
| C3' | C2' | H2' | 120.1° | 120.0° |
| C2' | C1' | C1 | 120.1° | 120.0° |
| C1' | C2' | H2' | 120.1° | 120.0° |
| C1' | C1 | C2 | 120.2° | 120.0° |
| C1' | C1 | C6 | 119.7° | 120.0° |
| C2 | C1 | C6 | 120.1° | 120.0° |
| C1 | C2 | C3 | 119.9° | 120.0° |
| C1 | C2 | H2 | 120.1° | 120.0° |
| C1 | C6 | C5 | 120.0° | 120.0° |
| C1 | C6 | H6 | 120.0° | 120.0° |
| C2 | C3 | C4 | 120.1° | 120.0° |
| C3 | C2 | H2 | 120.0° | 120.0° |
| C2 | C3 | H3 | 119.9° | 120.0° |
| C3 | C4 | C5 | 120.0° | 119.9° |
| C3 | C4 | N1 | 120.1° | 120.0° |
| C4 | C3 | H3 | 120.0° | 120.1° |
| O2 | S1 | O3 | 109.5° | 123.1° |
| O2 | S1 | C9 | 110.1° | 106.4° |
| O3 | S1 | C9 | 109.7° | 106.4° |
| S1 | C9 | C8 | 119.7° | 119.8° |
| S1 | C9 | C10 | 120.1° | 119.9° |
| N3 | C16 | C7 | 120.0° | 120.4° |
| N3 | C16 | C15 | 119.9° | 120.3° |
| C16 | N3 | HN2 | 109.5° | 120.0° |
| C16 | N3 | HN1 | 109.5° | 120.1° |
| C6 | C5 | C4 | 119.9° | 120.0° |
| C5 | C6 | H6 | 120.0° | 120.0° |
| C6 | C5 | H5 | 120.0° | 120.0° |
| C5 | C4 | N1 | 119.9° | 120.0° |
| C4 | C5 | H5 | 120.1° | 120.0° |
| C4 | N1 | N2 | 119.9° | 120.0° |
| N1 | N2 | C7 | 120.4° | 120.0° |
| N2 | C7 | C16 | 119.8° | 119.8° |
| N2 | C7 | C8 | 120.2° | 119.8° |
| C16 | C7 | C8 | 120.0° | 120.3° |
| C7 | C16 | C15 | 120.1° | 119.2° |
| C7 | C8 | C9 | 119.9° | 120.9° |
| C7 | C8 | H8 | 120.1° | 119.5° |
| C16 | C15 | C14 | 119.8° | 121.0° |
| C16 | C15 | C10 | 120.0° | 119.4° |
| C14 | C15 | C10 | 120.2° | 119.5° |
| C15 | C14 | C13 | 120.0° | 119.6° |
| C15 | C14 | H14 | 120.0° | 120.3° |
| C15 | C10 | C9 | 120.0° | 119.8° |
| C15 | C10 | C11 | 119.9° | 119.2° |
| C13 | C14 | H14 | 120.0° | 120.1° |
| C14 | C13 | H13 | 120.0° | 119.6° |
| C8 | C9 | C10 | 120.1° | 120.3° |
| C9 | C8 | H8 | 120.0° | 119.6° |
| C9 | C10 | C11 | 120.2° | 121.0° |
| C10 | C11 | H11 | 120.0° | 120.1° |
| HN1' | N3' | HN2' | 109.5° | 119.9° |
| HN2 | N3 | HN1 | 109.5° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1' | S1' | O2' | O3' | 117.9° | 123.0° |
| O1' | S1' | O2' | C9' | 120.8° | 114.1° |
| O1' | S1' | O3' | C9' | 120.8° | 114.1° |
| O1' | S1' | C9' | C10' | 51.9° | 82.0° |
| O1' | S1' | C9' | C8' | 127.5° | 98.1° |
| C13 | C12 | C11 | H12 | 180.0° | 179.6° |
| C12 | C13 | C14 | C15 | 0.2° | 0.1° |
| C12 | C13 | C14 | H13 | 180.0° | 179.9° |
| C13 | C12 | C11 | C10 | 0.0° | 0.1° |
| C12 | C13 | C14 | H14 | 179.8° | 180.0° |
| C13 | C12 | C11 | H11 | 180.0° | 180.0° |
| C12 | C11 | C10 | C15 | 0.1° | 0.1° |
| C11 | C12 | C13 | C14 | 0.1° | 0.1° |
| C12 | C11 | C10 | C9 | 179.2° | 180.0° |
| C12 | C11 | C10 | H11 | 180.0° | 179.9° |
| C11 | C12 | C13 | H13 | 179.9° | 180.0° |
| O2' | S1' | O3' | C9' | 121.1° | 122.9° |
| O2' | S1' | C9' | C10' | 68.2° | 31.6° |
| O2' | S1' | C9' | C8' | 112.4° | 148.4° |
| O2' | S1' | O1' | H1 | 117.8° | 66.5° |
| O3' | S1' | C9' | C10' | 171.9° | 164.5° |
| O3' | S1' | C9' | C8' | 7.5° | 15.5° |
| O3' | S1' | O1' | H1 | 0.0° | 66.5° |
| S1' | C9' | C10' | C11' | 0.6° | 0.1° |
| S1' | C9' | C10' | C8' | 179.4° | 180.0° |
| S1' | C9' | C10' | C15' | 178.8° | 180.0° |
| S1' | C9' | C8' | C7' | 179.5° | 180.0° |
| S1' | C9' | C8' | H8' | 0.5° | 0.0° |
| C9' | S1' | O1' | H1 | 121.3° | 180.0° |
| C11' | C12' | C13' | H12' | 180.0° | 179.7° |
| C12' | C11' | C10' | H11' | 180.0° | 179.9° |
| C12' | C11' | C10' | C9' | 179.3° | 180.0° |
| C12' | C11' | C10' | C15' | 0.1° | 0.1° |
| C11' | C12' | C13' | C14' | 0.4° | 0.1° |
| C11' | C12' | C13' | H13' | 179.6° | 180.0° |
| C13' | C12' | C11' | C10' | 0.4° | 0.1° |
| C12' | C13' | C14' | H13' | 180.0° | 180.0° |
| C12' | C13' | C14' | C15' | 0.1° | 0.0° |
| C13' | C12' | C11' | H11' | 179.6° | 180.0° |
| C12' | C13' | C14' | H14' | 179.9° | 180.0° |
| C11' | C10' | C9' | C15' | 179.4° | 179.9° |
| C11' | C10' | C9' | C8' | 179.9° | 180.0° |
| C11' | C10' | C15' | C14' | 0.2° | 0.0° |
| C11' | C10' | C15' | C16' | 179.9° | 180.0° |
| C10' | C11' | C12' | H12' | 179.6° | 179.8° |
| C10' | C9' | C8' | C7' | 0.1° | 0.0° |
| C9' | C10' | C15' | C14' | 179.6° | 179.9° |
| C9' | C10' | C15' | C16' | 0.5° | 0.0° |
| C9' | C10' | C11' | H11' | 0.7° | 0.1° |
| C10' | C9' | C8' | H8' | 179.9° | 180.0° |
| C15' | C10' | C9' | C8' | 0.6° | 0.0° |
| C10' | C15' | C14' | C13' | 0.2° | 0.0° |
| C10' | C15' | C14' | C16' | 179.9° | 180.0° |
| C10' | C15' | C16' | C7' | 0.4° | 0.0° |
| C10' | C15' | C16' | N3' | 172.0° | 180.0° |
| C15' | C10' | C11' | H11' | 179.9° | 180.0° |
| C10' | C15' | C14' | H14' | 179.8° | 180.0° |
| C9' | C8' | C7' | H8' | 180.0° | 180.0° |
| C9' | C8' | C7' | C16' | 1.0° | 0.1° |
| C9' | C8' | C7' | N2' | 173.0° | 180.0° |
| C8' | C7' | C16' | C15' | 1.1° | 0.1° |
| C8' | C7' | C16' | N2' | 173.7° | 179.9° |
| C8' | C7' | C16' | N3' | 171.0° | 180.0° |
| C8' | C7' | N2' | N1' | 172.5° | 0.1° |
| C13' | C14' | C15' | H14' | 180.0° | 180.0° |
| C13' | C14' | C15' | C16' | 179.9° | 180.0° |
| C14' | C13' | C12' | H12' | 179.6° | 179.8° |
| C14' | C15' | C16' | C7' | 179.5° | 179.9° |
| C14' | C15' | C16' | N3' | 8.1° | 0.0° |
| C15' | C14' | C13' | H13' | 179.9° | 180.0° |
| C15' | C16' | C7' | N3' | 172.2° | 180.0° |
| C15' | C16' | C7' | N2' | 172.5° | 180.0° |
| C16' | C15' | C14' | H14' | 0.1° | 0.0° |
| C15' | C16' | N3' | HN1' | 180.0° | 0.0° |
| C15' | C16' | N3' | HN2' | 60.0° | 180.0° |
| C16' | C7' | N2' | N1' | 1.3° | 180.0° |
| C16' | C7' | C8' | H8' | 179.0° | 180.0° |
| C7' | C16' | N3' | HN1' | 7.7° | 179.9° |
| C7' | C16' | N3' | HN2' | 127.7° | 0.1° |
| N3' | C16' | C7' | N2' | 15.3° | 0.1° |
| C16' | N3' | HN1' | HN2' | 120.0° | 180.0° |
| C7' | N2' | N1' | C4' | 179.3° | 180.0° |
| N2' | C7' | C8' | H8' | 7.0° | 0.0° |
| N2' | N1' | C4' | C5' | 1.2° | 180.0° |
| N2' | N1' | C4' | C3' | 179.6° | 0.3° |
| N1' | C4' | C5' | C3' | 179.2° | 179.7° |
| N1' | C4' | C5' | C6' | 179.1° | 180.0° |
| N1' | C4' | C3' | C2' | 179.1° | 180.0° |
| N1' | C4' | C5' | H5' | 0.9° | 0.0° |
| N1' | C4' | C3' | H3' | 0.9° | 0.0° |
| C4' | C5' | C6' | H5' | 180.0° | 180.0° |
| C4' | C5' | C6' | C1' | 0.0° | 0.1° |
| C5' | C4' | C3' | C2' | 0.1° | 0.2° |
| C4' | C5' | C6' | H6' | 180.0° | 180.0° |
| C5' | C4' | C3' | H3' | 179.9° | 179.7° |
| C3' | C4' | C5' | C6' | 0.1° | 0.2° |
| C4' | C3' | C2' | H3' | 180.0° | 180.0° |
| C4' | C3' | C2' | C1' | 0.0° | 0.1° |
| C3' | C4' | C5' | H5' | 179.9° | 179.8° |
| C4' | C3' | C2' | H2' | 180.0° | 180.0° |
| C5' | C6' | C1' | H6' | 180.0° | 180.0° |
| C5' | C6' | C1' | C2' | 0.1° | 0.3° |
| C5' | C6' | C1' | C1 | 178.9° | 180.0° |
| C6' | C1' | C2' | C3' | 0.1° | 0.3° |
| C6' | C1' | C2' | C1 | 179.0° | 179.7° |
| C6' | C1' | C1 | C2 | 176.1° | NaN° |
| C6' | C1' | C1 | C6 | 4.4° | 0.3° |
| C1' | C6' | C5' | H5' | 180.0° | 179.9° |
| C6' | C1' | C2' | H2' | 179.9° | 179.7° |
| O1 | S1 | O2 | O3 | 118.5° | 123.0° |
| O1 | S1 | O2 | C9 | 120.8° | 114.1° |
| O1 | S1 | O3 | C9 | 120.0° | 114.2° |
| O1 | S1 | C9 | C8 | 152.4° | 98.0° |
| O1 | S1 | C9 | C10 | 26.2° | 81.9° |
| C3' | C2' | C1' | H2' | 180.0° | 180.0° |
| C3' | C2' | C1' | C1 | 178.9° | 180.0° |
| C2' | C1' | C1 | C2 | 4.8° | 0.3° |
| C2' | C1' | C1 | C6 | 174.6° | 180.0° |
| C2' | C1' | C6' | H6' | 179.9° | 179.7° |
| C1' | C2' | C3' | H3' | 180.0° | 180.0° |
| C1' | C1 | C2 | C6 | 179.4° | 179.7° |
| C1' | C1 | C2 | C3 | 179.2° | 180.0° |
| C1' | C1 | C6 | C5 | 179.2° | 180.0° |
| C1 | C1' | C6' | H6' | 1.1° | 0.0° |
| C1 | C1' | C2' | H2' | 1.1° | 0.0° |
| C1' | C1 | C2 | H2 | 0.8° | 0.1° |
| C1' | C1 | C6 | H6 | 0.8° | 0.0° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.2° | 0.0° |
| C2 | C1 | C6 | C5 | 0.3° | 0.3° |
| C1 | C2 | C3 | H3 | 179.8° | 180.0° |
| C2 | C1 | C6 | H6 | 179.7° | 179.7° |
| C6 | C1 | C2 | C3 | 0.3° | 0.3° |
| C1 | C6 | C5 | H6 | 180.0° | 180.0° |
| C1 | C6 | C5 | C4 | 0.2° | 0.0° |
| C6 | C1 | C2 | H2 | 179.7° | 179.7° |
| C1 | C6 | C5 | H5 | 179.8° | 180.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.2° | 0.3° |
| C2 | C3 | C4 | N1 | 178.6° | 180.0° |
| C3 | C4 | C5 | C6 | 0.2° | 0.3° |
| C3 | C4 | C5 | N1 | 178.4° | 179.7° |
| C3 | C4 | N1 | N2 | 0.0° | 180.0° |
| C4 | C3 | C2 | H2 | 179.8° | 180.0° |
| C3 | C4 | C5 | H5 | 179.8° | 179.7° |
| O2 | S1 | O3 | C9 | 121.0° | 122.9° |
| O2 | S1 | C9 | C8 | 87.3° | 15.5° |
| O2 | S1 | C9 | C10 | 94.1° | 164.5° |
| O2 | S1 | O1 | H4 | 119.2° | 66.5° |
| O3 | S1 | C9 | C8 | 33.3° | 148.4° |
| O3 | S1 | C9 | C10 | 145.3° | 31.6° |
| O3 | S1 | O1 | H4 | 0.0° | 66.4° |
| S1 | C9 | C8 | C7 | 178.1° | 180.0° |
| S1 | C9 | C10 | C15 | 178.4° | 180.0° |
| S1 | C9 | C8 | C10 | 178.6° | 180.0° |
| S1 | C9 | C10 | C11 | 2.5° | 0.0° |
| S1 | C9 | C8 | H8 | 1.8° | 0.1° |
| C9 | S1 | O1 | H4 | 119.9° | 180.0° |
| N3 | C16 | C7 | N2 | 0.9° | 0.1° |
| N3 | C16 | C7 | C15 | 179.6° | 179.9° |
| N3 | C16 | C7 | C8 | 179.7° | 179.9° |
| N3 | C16 | C15 | C14 | 1.1° | 0.1° |
| N3 | C16 | C15 | C10 | 179.5° | 180.0° |
| C16 | N3 | HN2 | HN1 | 120.0° | 179.9° |
| C6 | C5 | C4 | H5 | 180.0° | 180.0° |
| C6 | C5 | C4 | N1 | 178.6° | 180.0° |
| C5 | C4 | N1 | N2 | 178.5° | 0.2° |
| C5 | C4 | C3 | H3 | 179.8° | 179.7° |
| C4 | C5 | C6 | H6 | 179.8° | 180.0° |
| C4 | N1 | N2 | C7 | 179.8° | 180.0° |
| N1 | C4 | C3 | H3 | 1.4° | 0.0° |
| N1 | C4 | C5 | H5 | 1.4° | 0.0° |
| N1 | N2 | C7 | C16 | 179.7° | 180.0° |
| N1 | N2 | C7 | C8 | 1.5° | 0.0° |
| N2 | C7 | C16 | C8 | 178.8° | 180.0° |
| N2 | C7 | C16 | C15 | 178.6° | 180.0° |
| N2 | C7 | C8 | C9 | 178.4° | 180.0° |
| N2 | C7 | C8 | H8 | 1.6° | 0.1° |
| C7 | C16 | C15 | C14 | 179.3° | 180.0° |
| C7 | C16 | C15 | C10 | 0.1° | 0.0° |
| C16 | C7 | C8 | C9 | 0.4° | 0.0° |
| C7 | C16 | N3 | HN2 | 180.0° | 0.1° |
| C7 | C16 | N3 | HN1 | 60.0° | 180.0° |
| C16 | C7 | C8 | H8 | 179.6° | 180.0° |
| C8 | C7 | C16 | C15 | 0.1° | 0.0° |
| C7 | C8 | C9 | H8 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 0.5° | 0.1° |
| C16 | C15 | C14 | C10 | 179.4° | 180.0° |
| C16 | C15 | C14 | C13 | 179.1° | 180.0° |
| C16 | C15 | C10 | C9 | 0.1° | 0.0° |
| C16 | C15 | C10 | C11 | 179.2° | 180.0° |
| C15 | C16 | N3 | HN2 | 0.4° | 180.0° |
| C15 | C16 | N3 | HN1 | 120.4° | 0.1° |
| C16 | C15 | C14 | H14 | 0.9° | 0.0° |
| C15 | C14 | C13 | H14 | 180.0° | 179.9° |
| C14 | C15 | C10 | C9 | 179.3° | 180.0° |
| C14 | C15 | C10 | C11 | 0.2° | 0.1° |
| C15 | C14 | C13 | H13 | 179.8° | 180.0° |
| C10 | C15 | C14 | C13 | 0.3° | 0.0° |
| C15 | C10 | C9 | C8 | 0.2° | 0.0° |
| C15 | C10 | C9 | C11 | 179.1° | 179.9° |
| C10 | C15 | C14 | H14 | 179.7° | 180.0° |
| C15 | C10 | C11 | H11 | 179.9° | 180.0° |
| C14 | C13 | C12 | H12 | 179.9° | 179.7° |
| C8 | C9 | C10 | C11 | 178.9° | 179.9° |
| C10 | C9 | C8 | H8 | 179.6° | 180.0° |
| C9 | C10 | C11 | H11 | 0.8° | 0.1° |
| C10 | C11 | C12 | H12 | 180.0° | 179.8° |
| H12 | C12 | C13 | H13 | 0.1° | 0.3° |
| H12 | C12 | C11 | H11 | 0.0° | 0.4° |
| H12' | C12' | C11' | H11' | 0.4° | 0.3° |
| H12' | C12' | C13' | H13' | 0.4° | 0.3° |
| H13' | C13' | C14' | H14' | 0.1° | 0.0° |
| H5' | C5' | C6' | H6' | 0.0° | 0.0° |
| H3' | C3' | C2' | H2' | 0.0° | 0.0° |
| H2 | C2 | C3 | H3 | 0.2° | 0.0° |
| H6 | C6 | C5 | H5 | 0.2° | 0.0° |
| H14 | C14 | C13 | H13 | 0.2° | 0.1° |
