DDT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | C8A | sing | 1.41Å | 1.46Å | Aromatic |
| C1 | N1 | sing | 1.39Å | 1.44Å | |
| C2 | C3 | sing | 1.39Å | 1.42Å | Aromatic |
| C2 | HC2 | sing | 1.08Å | 1.08Å | |
| C3 | C4 | doub | 1.36Å | 1.39Å | Aromatic |
| C3 | HC3 | sing | 1.08Å | 1.08Å | |
| C4 | C4A | sing | 1.40Å | 1.44Å | Aromatic |
| C4 | HC4 | sing | 1.08Å | 1.08Å | |
| C4A | C5 | doub | 1.41Å | 1.46Å | Aromatic |
| C4A | C8A | sing | 1.42Å | 1.44Å | Aromatic |
| C5 | C6 | sing | 1.36Å | 1.39Å | Aromatic |
| C5 | S | sing | 1.76Å | 1.78Å | |
| C6 | C7 | doub | 1.39Å | 1.42Å | Aromatic |
| C6 | HC6 | sing | 1.08Å | 1.08Å | |
| C7 | C8 | sing | 1.36Å | 1.39Å | Aromatic |
| C7 | HC7 | sing | 1.08Å | 1.08Å | |
| C8 | C8A | doub | 1.40Å | 1.44Å | Aromatic |
| C8 | HC8 | sing | 1.08Å | 1.08Å | |
| C9 | N1 | sing | 1.47Å | 1.47Å | |
| C9 | HC91 | sing | 1.09Å | 1.10Å | |
| C9 | HC92 | sing | 1.09Å | 1.10Å | |
| C9 | HC93 | sing | 1.09Å | 1.10Å | |
| C10 | N1 | sing | 1.47Å | 1.50Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H103 | sing | 1.09Å | 1.10Å | |
| C11 | C12 | sing | 1.51Å | 1.51Å | |
| C11 | C13 | sing | 1.53Å | 1.57Å | |
| C11 | N | sing | 1.47Å | 1.51Å | |
| C11 | HC11 | sing | 1.09Å | 1.10Å | |
| C12 | OC1 | doub | 1.21Å | 1.25Å | |
| C12 | OC2 | sing | 1.34Å | 1.25Å | |
| C13 | C14 | sing | 1.51Å | 1.51Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C14 | C15 | doub | 1.38Å | 1.42Å | Aromatic |
| C14 | C19 | sing | 1.38Å | 1.41Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | HC15 | sing | 1.08Å | 1.08Å | |
| C16 | C17 | doub | 1.39Å | 1.41Å | Aromatic |
| C16 | HC16 | sing | 1.08Å | 1.08Å | |
| C17 | C18 | sing | 1.39Å | 1.41Å | Aromatic |
| C17 | O | sing | 1.36Å | 1.40Å | |
| C18 | C19 | doub | 1.38Å | 1.41Å | Aromatic |
| C18 | HC18 | sing | 1.08Å | 1.08Å | |
| C19 | HC19 | sing | 1.08Å | 1.08Å | |
| S | O1 | doub | 1.42Å | 1.48Å | |
| S | O2 | doub | 1.42Å | 1.49Å | |
| S | N | sing | 1.66Å | 1.72Å | |
| N | H | sing | 0.97Å | 1.00Å | |
| OC2 | HXT | sing | 0.97Å | 0.95Å | |
| O | S' | sing | 1.52Å | 1.63Å | |
| S' | O1' | doub | 1.42Å | 1.44Å | |
| S' | O2' | doub | 1.42Å | 1.49Å | |
| S' | C5' | sing | 1.76Å | 1.78Å | |
| C1' | C2' | doub | 1.38Å | 1.40Å | Aromatic |
| C1' | C8X | sing | 1.41Å | 1.44Å | Aromatic |
| C1' | N1' | sing | 1.39Å | 1.44Å | |
| C2' | C3' | sing | 1.39Å | 1.41Å | Aromatic |
| C2' | H2'1 | sing | 1.08Å | 1.08Å | |
| C3' | C4' | doub | 1.36Å | 1.38Å | Aromatic |
| C3' | H3'1 | sing | 1.08Å | 1.08Å | |
| C4' | C4X | sing | 1.41Å | 1.44Å | Aromatic |
| C4' | H4'1 | sing | 1.08Å | 1.08Å | |
| C4X | C5' | doub | 1.40Å | 1.44Å | Aromatic |
| C4X | C8X | sing | 1.42Å | 1.43Å | Aromatic |
| C5' | C6' | sing | 1.36Å | 1.37Å | Aromatic |
| C6' | C7' | doub | 1.39Å | 1.42Å | Aromatic |
| C6' | H6'1 | sing | 1.08Å | 1.08Å | |
| C7' | C8' | sing | 1.36Å | 1.38Å | Aromatic |
| C7' | H7'1 | sing | 1.08Å | 1.08Å | |
| C8' | C8X | doub | 1.40Å | 1.43Å | Aromatic |
| C8' | H8'1 | sing | 1.08Å | 1.08Å | |
| C9' | N1' | sing | 1.47Å | 1.49Å | |
| C9' | H9'1 | sing | 1.09Å | 1.10Å | |
| C9' | H9'2 | sing | 1.09Å | 1.10Å | |
| C9' | H9'3 | sing | 1.09Å | 1.10Å | |
| CA' | N1' | sing | 1.47Å | 1.49Å | |
| CA' | HB1 | sing | 1.09Å | 1.10Å | |
| CA' | HB2 | sing | 1.09Å | 1.10Å | |
| CA' | HB3 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C8A | 119.5° | 119.4° |
| C2 | C1 | N1 | 119.5° | 120.3° |
| C1 | C2 | C3 | 121.3° | 120.8° |
| C1 | C2 | HC2 | 119.4° | 119.6° |
| C8A | C1 | N1 | 121.0° | 120.3° |
| C1 | C8A | C4A | 118.8° | 119.3° |
| C1 | C8A | C8 | 123.5° | 121.3° |
| C1 | N1 | C9 | 116.3° | 106.7° |
| C1 | N1 | C10 | 119.5° | 106.7° |
| C3 | C2 | HC2 | 119.3° | 119.6° |
| C2 | C3 | C4 | 120.1° | 121.1° |
| C2 | C3 | HC3 | 119.9° | 119.5° |
| C4 | C3 | HC3 | 119.9° | 119.5° |
| C3 | C4 | C4A | 121.0° | 120.0° |
| C3 | C4 | HC4 | 119.5° | 120.0° |
| C4A | C4 | HC4 | 119.5° | 120.0° |
| C4 | C4A | C5 | 121.8° | 121.2° |
| C4 | C4A | C8A | 119.1° | 119.5° |
| C5 | C4A | C8A | 119.0° | 119.3° |
| C4A | C5 | C6 | 120.3° | 119.6° |
| C4A | C5 | S | 123.0° | 120.2° |
| C4A | C8A | C8 | 117.7° | 119.4° |
| C6 | C5 | S | 116.6° | 120.1° |
| C5 | C6 | C7 | 120.9° | 121.0° |
| C5 | C6 | HC6 | 119.5° | 119.5° |
| C5 | S | O1 | 105.1° | 105.9° |
| C5 | S | O2 | 109.7° | 105.7° |
| C5 | S | N | 103.7° | 107.4° |
| C7 | C6 | HC6 | 119.6° | 119.5° |
| C6 | C7 | C8 | 119.5° | 121.0° |
| C6 | C7 | HC7 | 120.2° | 119.5° |
| C8 | C7 | HC7 | 120.2° | 119.5° |
| C7 | C8 | C8A | 122.5° | 119.7° |
| C7 | C8 | HC8 | 118.8° | 120.2° |
| C8A | C8 | HC8 | 118.8° | 120.1° |
| N1 | C9 | HC91 | 109.5° | 109.5° |
| N1 | C9 | HC92 | 109.5° | 109.4° |
| N1 | C9 | HC93 | 109.5° | 109.5° |
| C9 | N1 | C10 | 111.5° | 106.7° |
| HC91 | C9 | HC92 | 109.5° | 109.5° |
| HC91 | C9 | HC93 | 109.5° | 109.5° |
| HC92 | C9 | HC93 | 109.5° | 109.5° |
| N1 | C10 | H101 | 109.4° | 109.5° |
| N1 | C10 | H102 | 109.5° | 109.5° |
| N1 | C10 | H103 | 109.5° | 109.5° |
| H101 | C10 | H102 | 109.5° | 109.5° |
| H101 | C10 | H103 | 109.5° | 109.5° |
| H102 | C10 | H103 | 109.4° | 109.4° |
| C12 | C11 | C13 | 109.9° | 109.5° |
| C12 | C11 | N | 108.9° | 109.5° |
| C12 | C11 | HC11 | 111.0° | 109.5° |
| C11 | C12 | OC1 | 115.8° | 120.0° |
| C11 | C12 | OC2 | 116.9° | 120.0° |
| C13 | C11 | N | 113.4° | 109.4° |
| C13 | C11 | HC11 | 106.4° | 109.5° |
| C11 | C13 | C14 | 111.0° | 109.5° |
| C11 | C13 | H131 | 108.6° | 109.5° |
| C11 | C13 | H132 | 109.0° | 109.4° |
| N | C11 | HC11 | 107.3° | 109.5° |
| C11 | N | S | 122.8° | 119.9° |
| C11 | N | H | 105.3° | 120.0° |
| OC1 | C12 | OC2 | 127.1° | 120.1° |
| C12 | OC2 | HXT | 109.5° | 119.9° |
| C14 | C13 | H131 | 108.6° | 109.5° |
| C14 | C13 | H132 | 108.9° | 109.4° |
| C13 | C14 | C15 | 118.3° | 119.9° |
| C13 | C14 | C19 | 121.5° | 120.0° |
| H131 | C13 | H132 | 110.7° | 109.5° |
| C15 | C14 | C19 | 120.2° | 120.2° |
| C14 | C15 | C16 | 120.8° | 120.0° |
| C14 | C15 | HC15 | 119.6° | 120.0° |
| C14 | C19 | C18 | 119.7° | 120.1° |
| C14 | C19 | HC19 | 120.1° | 119.9° |
| C16 | C15 | HC15 | 119.6° | 120.0° |
| C15 | C16 | C17 | 118.4° | 120.0° |
| C15 | C16 | HC16 | 120.8° | 120.0° |
| C17 | C16 | HC16 | 120.8° | 120.1° |
| C16 | C17 | C18 | 121.6° | 119.9° |
| C16 | C17 | O | 120.2° | 120.0° |
| C18 | C17 | O | 117.8° | 120.1° |
| C17 | C18 | C19 | 119.3° | 119.9° |
| C17 | C18 | HC18 | 120.3° | 120.0° |
| C17 | O | S' | 126.2° | 106.8° |
| C19 | C18 | HC18 | 120.4° | 120.1° |
| C18 | C19 | HC19 | 120.2° | 120.0° |
| O1 | S | O2 | 117.3° | 125.3° |
| O1 | S | N | 111.9° | 105.8° |
| O2 | S | N | 108.2° | 105.7° |
| S | N | H | 105.2° | 120.1° |
| O | S' | O1' | 110.9° | 105.8° |
| O | S' | O2' | 112.3° | 105.7° |
| O | S' | C5' | 100.1° | 107.4° |
| O1' | S' | O2' | 115.3° | 125.4° |
| O1' | S' | C5' | 109.2° | 105.8° |
| O2' | S' | C5' | 107.8° | 105.8° |
| S' | C5' | C4X | 119.3° | 120.2° |
| S' | C5' | C6' | 120.2° | 120.2° |
| C2' | C1' | C8X | 120.1° | 119.4° |
| C2' | C1' | N1' | 117.0° | 120.3° |
| C1' | C2' | C3' | 122.0° | 120.8° |
| C1' | C2' | H2'1 | 119.0° | 119.6° |
| C8X | C1' | N1' | 122.9° | 120.3° |
| C1' | C8X | C4X | 117.6° | 119.4° |
| C1' | C8X | C8' | 123.4° | 121.2° |
| C1' | N1' | C9' | 120.0° | 106.7° |
| C1' | N1' | CA' | 125.1° | 106.7° |
| C3' | C2' | H2'1 | 119.0° | 119.6° |
| C2' | C3' | C4' | 119.1° | 121.1° |
| C2' | C3' | H3'1 | 120.5° | 119.4° |
| C4' | C3' | H3'1 | 120.4° | 119.4° |
| C3' | C4' | C4X | 120.9° | 119.9° |
| C3' | C4' | H4'1 | 119.6° | 120.0° |
| C4X | C4' | H4'1 | 119.6° | 120.0° |
| C4' | C4X | C5' | 120.5° | 121.2° |
| C4' | C4X | C8X | 120.2° | 119.4° |
| C5' | C4X | C8X | 119.1° | 119.4° |
| C4X | C5' | C6' | 120.2° | 119.6° |
| C4X | C8X | C8' | 118.9° | 119.4° |
| C5' | C6' | C7' | 120.6° | 121.0° |
| C5' | C6' | H6'1 | 119.7° | 119.5° |
| C7' | C6' | H6'1 | 119.7° | 119.5° |
| C6' | C7' | C8' | 120.8° | 120.9° |
| C6' | C7' | H7'1 | 119.6° | 119.5° |
| C8' | C7' | H7'1 | 119.6° | 119.5° |
| C7' | C8' | C8X | 120.3° | 119.7° |
| C7' | C8' | H8'1 | 119.8° | 120.2° |
| C8X | C8' | H8'1 | 119.9° | 120.1° |
| N1' | C9' | H9'1 | 109.5° | 109.5° |
| N1' | C9' | H9'2 | 109.5° | 109.5° |
| N1' | C9' | H9'3 | 109.5° | 109.4° |
| C9' | N1' | CA' | 114.5° | 106.7° |
| H9'1 | C9' | H9'2 | 109.5° | 109.5° |
| H9'1 | C9' | H9'3 | 109.5° | 109.4° |
| H9'2 | C9' | H9'3 | 109.5° | 109.5° |
| N1' | CA' | HB1 | 109.5° | 109.5° |
| N1' | CA' | HB2 | 109.5° | 109.5° |
| N1' | CA' | HB3 | 109.5° | 109.5° |
| HB1 | CA' | HB2 | 109.5° | 109.5° |
| HB1 | CA' | HB3 | 109.5° | 109.5° |
| HB2 | CA' | HB3 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C8A | N1 | 178.7° | 179.8° |
| C1 | C2 | C3 | HC2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 1.7° | 0.0° |
| C1 | C2 | C3 | HC3 | 178.3° | 180.0° |
| C2 | C1 | C8A | C4A | 4.5° | 0.5° |
| C2 | C1 | C8A | C8 | 175.0° | 180.0° |
| C2 | C1 | N1 | C9 | 122.9° | 60.0° |
| C2 | C1 | N1 | C10 | 15.6° | 53.8° |
| C8A | C1 | C2 | C3 | 1.4° | 0.2° |
| C8A | C1 | C2 | HC2 | 178.6° | 179.8° |
| C1 | C8A | C4A | C4 | 4.6° | 0.5° |
| C1 | C8A | C4A | C5 | 178.8° | 179.8° |
| C1 | C8A | C4A | C8 | 179.5° | 179.5° |
| C1 | C8A | C8 | C7 | 179.1° | 179.5° |
| C1 | C8A | C8 | HC8 | 0.9° | 0.5° |
| C8A | C1 | N1 | C9 | 58.4° | 119.8° |
| C8A | C1 | N1 | C10 | 163.1° | 126.4° |
| N1 | C1 | C2 | C3 | 179.9° | 180.0° |
| N1 | C1 | C2 | HC2 | 0.1° | 0.0° |
| N1 | C1 | C8A | C4A | 176.8° | 179.7° |
| N1 | C1 | C8A | C8 | 3.8° | 0.2° |
| C1 | N1 | C9 | C10 | 141.7° | 113.8° |
| C1 | N1 | C9 | HC91 | 94.0° | 180.0° |
| C1 | N1 | C9 | HC92 | 146.0° | 60.0° |
| C1 | N1 | C9 | HC93 | 26.0° | 60.0° |
| C1 | N1 | C10 | H101 | 50.6° | 66.2° |
| C1 | N1 | C10 | H102 | 69.4° | 173.8° |
| C1 | N1 | C10 | H103 | 170.6° | 53.8° |
| C2 | C3 | C4 | HC3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C4A | 1.5° | 0.0° |
| C2 | C3 | C4 | HC4 | 178.5° | 180.0° |
| HC2 | C2 | C3 | C4 | 178.3° | 180.0° |
| HC2 | C2 | C3 | HC3 | 1.7° | 0.0° |
| C3 | C4 | C4A | HC4 | 180.0° | 179.9° |
| C3 | C4 | C4A | C5 | 178.2° | 180.0° |
| C3 | C4 | C4A | C8A | 1.7° | 0.3° |
| HC3 | C3 | C4 | C4A | 178.5° | 180.0° |
| HC3 | C3 | C4 | HC4 | 1.5° | 0.0° |
| C4 | C4A | C5 | C8A | 176.5° | 179.7° |
| C4 | C4A | C5 | C6 | 175.5° | 179.8° |
| C4 | C4A | C5 | S | 8.2° | 0.4° |
| C4 | C4A | C8A | C8 | 174.8° | 179.9° |
| HC4 | C4 | C4A | C5 | 1.8° | 0.1° |
| HC4 | C4 | C4A | C8A | 178.3° | 179.8° |
| C4A | C5 | C6 | S | 176.6° | 179.4° |
| C4A | C5 | C6 | C7 | 0.1° | 0.6° |
| C4A | C5 | C6 | HC6 | 179.9° | 179.8° |
| C5 | C4A | C8A | C8 | 1.8° | 0.2° |
| C4A | C5 | S | O1 | 167.4° | 177.2° |
| C4A | C5 | S | O2 | 65.6° | 47.9° |
| C4A | C5 | S | N | 49.7° | 64.6° |
| C8A | C4A | C5 | C6 | 1.1° | 0.5° |
| C8A | C4A | C5 | S | 175.3° | 180.0° |
| C4A | C8A | C8 | C7 | 1.5° | 0.0° |
| C4A | C8A | C8 | HC8 | 178.5° | 180.0° |
| C5 | C6 | C7 | HC6 | 180.0° | 179.7° |
| C5 | C6 | C7 | C8 | 0.5° | 0.3° |
| C5 | C6 | C7 | HC7 | 179.6° | 179.8° |
| C6 | C5 | S | O1 | 9.1° | 3.3° |
| C6 | C5 | S | O2 | 117.9° | 131.5° |
| C6 | C5 | S | N | 126.7° | 116.0° |
| S | C5 | C6 | C7 | 176.7° | 180.0° |
| S | C5 | C6 | HC6 | 3.3° | 0.4° |
| C5 | S | N | C11 | 79.3° | 65.3° |
| C5 | S | O1 | O2 | 122.1° | 123.2° |
| C5 | S | O1 | N | 112.0° | 113.8° |
| C5 | S | O2 | N | 112.5° | 113.7° |
| C5 | S | N | H | 160.7° | 114.8° |
| C6 | C7 | C8 | HC7 | 180.0° | 179.9° |
| C6 | C7 | C8 | C8A | 0.3° | 0.0° |
| C6 | C7 | C8 | HC8 | 179.7° | 180.0° |
| HC6 | C6 | C7 | C8 | 179.5° | 180.0° |
| HC6 | C6 | C7 | HC7 | 0.4° | 0.1° |
| C7 | C8 | C8A | HC8 | 180.0° | 180.0° |
| HC7 | C7 | C8 | C8A | 179.6° | 180.0° |
| HC7 | C7 | C8 | HC8 | 0.4° | 0.1° |
| N1 | C9 | HC91 | HC92 | 120.0° | 119.9° |
| N1 | C9 | HC91 | HC93 | 120.0° | 120.1° |
| N1 | C9 | HC92 | HC93 | 120.0° | 120.0° |
| C9 | N1 | C10 | H101 | 89.7° | 180.0° |
| C9 | N1 | C10 | H102 | 150.3° | 60.0° |
| C9 | N1 | C10 | H103 | 30.3° | 60.0° |
| HC91 | C9 | HC92 | HC93 | 120.0° | 120.0° |
| HC91 | C9 | N1 | C10 | 47.7° | 66.2° |
| HC92 | C9 | N1 | C10 | 72.3° | 173.8° |
| HC93 | C9 | N1 | C10 | 167.7° | 53.8° |
| N1 | C10 | H101 | H102 | 120.0° | 120.0° |
| N1 | C10 | H101 | H103 | 120.0° | 120.0° |
| N1 | C10 | H102 | H103 | 120.0° | 120.0° |
| H101 | C10 | H102 | H103 | 120.0° | 120.0° |
| C12 | C11 | C13 | N | 122.1° | 119.9° |
| C12 | C11 | C13 | HC11 | 120.2° | 120.0° |
| C12 | C11 | N | HC11 | 120.2° | 120.0° |
| C11 | C12 | OC1 | OC2 | 173.9° | 180.0° |
| C12 | C11 | C13 | C14 | 173.4° | 180.0° |
| C12 | C11 | C13 | H131 | 54.1° | 60.0° |
| C12 | C11 | C13 | H132 | 66.6° | 60.0° |
| C12 | C11 | N | S | 77.3° | 114.3° |
| C12 | C11 | N | H | 42.7° | 65.7° |
| C11 | C12 | OC2 | HXT | 173.9° | 180.0° |
| C13 | C11 | N | HC11 | 117.1° | 120.0° |
| C13 | C11 | C12 | OC1 | 52.1° | 90.0° |
| C13 | C11 | C12 | OC2 | 133.3° | 90.0° |
| C11 | C13 | C14 | H131 | 119.3° | 120.1° |
| C11 | C13 | C14 | H132 | 120.0° | 119.9° |
| C11 | C13 | H131 | H132 | 119.6° | 120.0° |
| C11 | C13 | C14 | C15 | 59.9° | 90.0° |
| C11 | C13 | C14 | C19 | 119.7° | 90.2° |
| C13 | C11 | N | S | 160.0° | 125.7° |
| C13 | C11 | N | H | 80.0° | 54.2° |
| N | C11 | C12 | OC1 | 72.6° | 150.1° |
| N | C11 | C12 | OC2 | 102.0° | 30.0° |
| N | C11 | C13 | C14 | 64.4° | 60.1° |
| N | C11 | C13 | H131 | 176.2° | 60.0° |
| N | C11 | C13 | H132 | 55.5° | 180.0° |
| C11 | N | S | O1 | 33.6° | 47.4° |
| C11 | N | S | O2 | 164.3° | 177.8° |
| C11 | N | S | H | 120.0° | 180.0° |
| HC11 | C11 | C12 | OC1 | 169.5° | 30.0° |
| HC11 | C11 | C12 | OC2 | 16.0° | 150.0° |
| HC11 | C11 | C13 | C14 | 53.2° | 59.9° |
| HC11 | C11 | C13 | H131 | 66.1° | 180.0° |
| HC11 | C11 | C13 | H132 | 173.2° | 60.0° |
| HC11 | C11 | N | S | 42.9° | 5.7° |
| HC11 | C11 | N | H | 162.9° | 174.3° |
| OC1 | C12 | OC2 | HXT | 0.0° | 0.0° |
| C14 | C13 | H131 | H132 | 119.6° | 120.0° |
| C13 | C14 | C15 | C19 | 179.6° | 179.8° |
| C13 | C14 | C15 | C16 | 179.4° | 180.0° |
| C13 | C14 | C15 | HC15 | 0.6° | 0.1° |
| C13 | C14 | C19 | C18 | 179.5° | 179.8° |
| C13 | C14 | C19 | HC19 | 0.6° | 0.1° |
| H131 | C13 | C14 | C15 | 59.5° | 30.1° |
| H131 | C13 | C14 | C19 | 121.0° | 149.8° |
| H132 | C13 | C14 | C15 | 179.9° | 150.1° |
| H132 | C13 | C14 | C19 | 0.3° | 29.7° |
| C14 | C15 | C16 | HC15 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 0.3° | 0.0° |
| C14 | C15 | C16 | HC16 | 179.7° | 180.0° |
| C15 | C14 | C19 | C18 | 1.0° | 0.4° |
| C15 | C14 | C19 | HC19 | 179.0° | 180.0° |
| C19 | C14 | C15 | C16 | 1.1° | 0.2° |
| C19 | C14 | C15 | HC15 | 179.0° | 179.7° |
| C14 | C19 | C18 | C17 | 0.4° | 0.4° |
| C14 | C19 | C18 | HC19 | 180.0° | 179.6° |
| C14 | C19 | C18 | HC18 | 179.6° | 179.7° |
| C15 | C16 | C17 | HC16 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 1.7° | 0.0° |
| C15 | C16 | C17 | O | 173.8° | 180.0° |
| HC15 | C15 | C16 | C17 | 179.7° | 179.9° |
| HC15 | C15 | C16 | HC16 | 0.3° | 0.1° |
| C16 | C17 | C18 | O | 172.3° | 180.0° |
| C16 | C17 | C18 | C19 | 1.8° | 0.2° |
| C16 | C17 | C18 | HC18 | 178.2° | 180.0° |
| C16 | C17 | O | S' | 74.0° | 90.0° |
| HC16 | C16 | C17 | C18 | 178.3° | 180.0° |
| HC16 | C16 | C17 | O | 6.2° | 0.0° |
| C17 | C18 | C19 | HC18 | 180.0° | 179.8° |
| C17 | C18 | C19 | HC19 | 179.6° | 179.9° |
| C18 | C17 | O | S' | 113.6° | 90.0° |
| O | C17 | C18 | C19 | 174.1° | 179.7° |
| O | C17 | C18 | HC18 | 6.0° | 0.1° |
| C17 | O | S' | O1' | 150.3° | 157.4° |
| C17 | O | S' | O2' | 19.6° | 22.6° |
| C17 | O | S' | C5' | 94.5° | 90.0° |
| HC18 | C18 | C19 | HC19 | 0.4° | 0.1° |
| O1 | S | O2 | N | 127.7° | 123.1° |
| O1 | S | N | H | 86.4° | 132.5° |
| O2 | S | N | H | 44.3° | 2.2° |
| O | S' | O1' | O2' | 129.1° | 123.1° |
| O | S' | O1' | C5' | 109.3° | 113.7° |
| O | S' | O2' | C5' | 109.3° | 113.7° |
| O | S' | C5' | C4X | 64.8° | 81.4° |
| O | S' | C5' | C6' | 122.2° | 98.4° |
| O1' | S' | O2' | C5' | 122.3° | 123.2° |
| O1' | S' | C5' | C4X | 51.6° | 31.2° |
| O1' | S' | C5' | C6' | 121.4° | 149.0° |
| O2' | S' | C5' | C4X | 177.6° | 166.0° |
| O2' | S' | C5' | C6' | 4.6° | 14.1° |
| S' | C5' | C4X | C4' | 1.2° | 0.4° |
| S' | C5' | C4X | C6' | 173.0° | 179.8° |
| S' | C5' | C4X | C8X | 174.4° | 179.8° |
| S' | C5' | C6' | C7' | 172.4° | 180.0° |
| S' | C5' | C6' | H6'1 | 7.7° | 0.0° |
| C2' | C1' | C8X | N1' | 177.9° | 179.9° |
| C1' | C2' | C3' | H2'1 | 180.0° | 179.9° |
| C1' | C2' | C3' | C4' | 1.6° | 0.1° |
| C1' | C2' | C3' | H3'1 | 178.4° | 180.0° |
| C2' | C1' | C8X | C4X | 3.6° | 0.2° |
| C2' | C1' | C8X | C8' | 173.6° | 180.0° |
| C2' | C1' | N1' | C9' | 31.9° | 60.1° |
| C2' | C1' | N1' | CA' | 139.5° | 53.7° |
| C8X | C1' | C2' | C3' | 0.4° | 0.1° |
| C8X | C1' | C2' | H2'1 | 179.5° | 180.0° |
| C1' | C8X | C4X | C4' | 4.8° | 0.5° |
| C1' | C8X | C4X | C5' | 179.5° | 179.8° |
| C1' | C8X | C4X | C8' | 177.3° | 179.8° |
| C1' | C8X | C8' | C7' | 179.8° | 180.0° |
| C1' | C8X | C8' | H8'1 | 0.2° | 0.0° |
| C8X | C1' | N1' | C9' | 150.1° | 120.0° |
| C8X | C1' | N1' | CA' | 38.5° | 126.2° |
| N1' | C1' | C2' | C3' | 177.6° | 180.0° |
| N1' | C1' | C2' | H2'1 | 2.4° | 0.1° |
| N1' | C1' | C8X | C4X | 174.3° | 179.8° |
| N1' | C1' | C8X | C8' | 8.5° | 0.0° |
| C1' | N1' | C9' | CA' | 172.3° | 113.8° |
| C1' | N1' | C9' | H9'1 | 176.7° | 180.0° |
| C1' | N1' | C9' | H9'2 | 63.3° | 60.0° |
| C1' | N1' | C9' | H9'3 | 56.7° | 60.1° |
| C1' | N1' | CA' | HB1 | 5.3° | 180.0° |
| C1' | N1' | CA' | HB2 | 125.3° | 60.0° |
| C1' | N1' | CA' | HB3 | 114.7° | 60.0° |
| C2' | C3' | C4' | H3'1 | 180.0° | 179.9° |
| C2' | C3' | C4' | C4X | 0.4° | 0.3° |
| C2' | C3' | C4' | H4'1 | 179.7° | 180.0° |
| H2'1 | C2' | C3' | C4' | 178.4° | 180.0° |
| H2'1 | C2' | C3' | H3'1 | 1.6° | 0.1° |
| C3' | C4' | C4X | H4'1 | 180.0° | 179.8° |
| C3' | C4' | C4X | C5' | 178.5° | 179.8° |
| C3' | C4' | C4X | C8X | 2.9° | 0.5° |
| H3'1 | C3' | C4' | C4X | 179.6° | 179.8° |
| H3'1 | C3' | C4' | H4'1 | 0.3° | 0.0° |
| C4' | C4X | C5' | C8X | 175.7° | 179.4° |
| C4' | C4X | C5' | C6' | 174.3° | 179.7° |
| C4' | C4X | C8X | C8' | 172.5° | 179.7° |
| H4'1 | C4' | C4X | C5' | 1.4° | 0.4° |
| H4'1 | C4' | C4X | C8X | 177.0° | 179.8° |
| C4X | C5' | C6' | C7' | 0.6° | 0.2° |
| C4X | C5' | C6' | H6'1 | 179.4° | 179.8° |
| C5' | C4X | C8X | C8' | 3.2° | 0.4° |
| C8X | C4X | C5' | C6' | 1.4° | 0.4° |
| C4X | C8X | C8' | C7' | 3.0° | 0.2° |
| C4X | C8X | C8' | H8'1 | 177.0° | 179.8° |
| C5' | C6' | C7' | H6'1 | 180.0° | 180.0° |
| C5' | C6' | C7' | C8' | 0.8° | 0.1° |
| C5' | C6' | C7' | H7'1 | 179.2° | 180.0° |
| C6' | C7' | C8' | H7'1 | 180.0° | 179.9° |
| C6' | C7' | C8' | C8X | 1.0° | 0.1° |
| C6' | C7' | C8' | H8'1 | 178.9° | 180.0° |
| H6'1 | C6' | C7' | C8' | 179.2° | 179.9° |
| H6'1 | C6' | C7' | H7'1 | 0.8° | 0.0° |
| C7' | C8' | C8X | H8'1 | 180.0° | 179.9° |
| H7'1 | C7' | C8' | C8X | 178.9° | 180.0° |
| H7'1 | C7' | C8' | H8'1 | 1.1° | 0.1° |
| N1' | C9' | H9'1 | H9'2 | 120.0° | 120.0° |
| N1' | C9' | H9'1 | H9'3 | 120.0° | 119.9° |
| N1' | C9' | H9'2 | H9'3 | 120.0° | 120.0° |
| C9' | N1' | CA' | HB1 | 166.6° | 66.2° |
| C9' | N1' | CA' | HB2 | 46.6° | 53.8° |
| C9' | N1' | CA' | HB3 | 73.4° | 173.8° |
| H9'1 | C9' | H9'2 | H9'3 | 120.0° | 120.0° |
| H9'1 | C9' | N1' | CA' | 11.0° | 66.2° |
| H9'2 | C9' | N1' | CA' | 109.0° | 173.8° |
| H9'3 | C9' | N1' | CA' | 131.0° | 53.8° |
| N1' | CA' | HB1 | HB2 | 120.0° | 120.0° |
| N1' | CA' | HB1 | HB3 | 120.0° | 120.0° |
| N1' | CA' | HB2 | HB3 | 120.0° | 120.0° |
| HB1 | CA' | HB2 | HB3 | 120.0° | 120.0° |
