ESH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C3 | doub | 1.32Å | 1.32Å | |
| N1 | H20 | sing | 1.03Å | 1.00Å | |
| C3 | N2 | sing | 1.39Å | 1.35Å | |
| C3 | C4 | sing | 1.45Å | 1.49Å | |
| N2 | H12 | sing | 1.01Å | 1.00Å | |
| N2 | H11 | sing | 1.01Å | 1.00Å | |
| C4 | C9 | doub | 1.39Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
| C9 | C8 | sing | 1.40Å | 1.38Å | Aromatic |
| C9 | H5 | sing | 1.09Å | 1.08Å | |
| C8 | C7 | doub | 1.40Å | 1.40Å | Aromatic |
| C8 | H6 | sing | 1.09Å | 1.08Å | |
| C7 | C6 | sing | 1.40Å | 1.40Å | Aromatic |
| C7 | C10 | sing | 1.52Å | 1.49Å | |
| C6 | C5 | doub | 1.39Å | 1.38Å | Aromatic |
| C6 | H8 | sing | 1.09Å | 1.08Å | |
| C5 | H9 | sing | 1.09Å | 1.08Å | |
| C10 | N11 | sing | 1.48Å | 1.49Å | |
| C10 | C22 | sing | 1.54Å | 1.53Å | |
| C10 | H10 | sing | 1.10Å | 1.10Å | |
| N11 | C12 | sing | 1.47Å | 1.49Å | |
| N11 | C15 | sing | 1.47Å | 1.47Å | |
| C12 | C13 | sing | 1.52Å | 1.52Å | |
| C12 | H121 | sing | 1.10Å | 1.09Å | |
| C12 | H122 | sing | 1.10Å | 1.09Å | |
| C13 | C14 | sing | 1.52Å | 1.53Å | |
| C13 | H132 | sing | 1.10Å | 1.09Å | |
| C13 | H131 | sing | 1.10Å | 1.09Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C14 | H141 | sing | 1.10Å | 1.09Å | |
| C14 | H142 | sing | 1.10Å | 1.09Å | |
| C15 | C16 | sing | 1.52Å | 1.52Å | |
| C15 | H15 | sing | 1.10Å | 1.10Å | |
| C16 | C17 | sing | 1.54Å | 1.54Å | |
| C16 | C22 | sing | 1.54Å | 1.52Å | |
| C16 | H16 | sing | 1.10Å | 1.10Å | |
| C17 | N19 | sing | 1.45Å | 1.45Å | |
| C17 | C18 | sing | 1.52Å | 1.53Å | |
| C17 | H17 | sing | 1.10Å | 1.10Å | |
| N19 | C20 | sing | 1.39Å | 1.42Å | |
| N19 | C23 | sing | 1.45Å | 1.48Å | |
| C20 | O21 | doub | 1.22Å | 1.19Å | |
| C20 | C22 | sing | 1.52Å | 1.50Å | |
| C22 | H22 | sing | 1.10Å | 1.10Å | |
| C23 | C24 | sing | 1.50Å | 1.52Å | |
| C23 | H231 | sing | 1.10Å | 1.09Å | |
| C23 | H232 | sing | 1.09Å | 1.09Å | |
| C24 | C32 | doub | 1.39Å | 1.38Å | Aromatic |
| C24 | C25 | sing | 1.39Å | 1.40Å | Aromatic |
| C32 | C31 | sing | 1.39Å | 1.39Å | Aromatic |
| C32 | H29 | sing | 1.09Å | 1.08Å | |
| C31 | C30 | doub | 1.40Å | 1.39Å | Aromatic |
| C31 | H28 | sing | 1.09Å | 1.08Å | |
| C30 | C26 | sing | 1.39Å | 1.38Å | Aromatic |
| C30 | CL30 | sing | 1.72Å | 1.78Å | |
| C26 | C25 | doub | 1.39Å | 1.39Å | Aromatic |
| C26 | H26 | sing | 1.09Å | 1.08Å | |
| C25 | H25 | sing | 1.09Å | 1.08Å | |
| C18 | C41 | sing | 1.53Å | 1.53Å | |
| C18 | C42 | sing | 1.53Å | 1.51Å | |
| C18 | H18 | sing | 1.10Å | 1.10Å | |
| C41 | H323 | sing | 1.10Å | 1.06Å | |
| C41 | H322 | sing | 1.10Å | 1.05Å | |
| C41 | H321 | sing | 1.10Å | 1.06Å | |
| C42 | H333 | sing | 1.10Å | 1.06Å | |
| C42 | H332 | sing | 1.09Å | 1.06Å | |
| C42 | H331 | sing | 1.10Å | 1.06Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | N1 | H20 | 120.7° | 109.6° |
| N1 | C3 | N2 | 118.1° | 117.6° |
| N1 | C3 | C4 | 121.3° | 117.9° |
| N2 | C3 | C4 | 120.6° | 124.5° |
| C3 | N2 | H12 | 121.0° | 121.6° |
| C3 | N2 | H11 | 119.9° | 122.1° |
| C3 | C4 | C9 | 122.4° | 119.9° |
| C3 | C4 | C5 | 120.3° | 120.0° |
| H12 | N2 | H11 | 119.1° | 116.3° |
| C9 | C4 | C5 | 117.4° | 120.0° |
| C4 | C9 | C8 | 122.2° | 120.0° |
| C4 | C9 | H5 | 120.2° | 120.7° |
| C4 | C5 | C6 | 120.7° | 120.0° |
| C4 | C5 | H9 | 121.0° | 120.6° |
| C8 | C9 | H5 | 117.6° | 119.3° |
| C9 | C8 | C7 | 120.7° | 120.0° |
| C9 | C8 | H6 | 119.7° | 119.5° |
| C7 | C8 | H6 | 119.6° | 120.4° |
| C8 | C7 | C6 | 117.2° | 119.9° |
| C8 | C7 | C10 | 119.8° | 120.0° |
| C6 | C7 | C10 | 123.0° | 120.1° |
| C7 | C6 | C5 | 121.8° | 120.1° |
| C7 | C6 | H8 | 119.7° | 120.5° |
| C7 | C10 | N11 | 114.8° | 113.0° |
| C7 | C10 | C22 | 117.2° | 115.6° |
| C7 | C10 | H10 | 107.7° | 105.6° |
| C5 | C6 | H8 | 118.6° | 119.4° |
| C6 | C5 | H9 | 118.2° | 119.4° |
| N11 | C10 | C22 | 101.9° | 105.6° |
| N11 | C10 | H10 | 108.0° | 110.1° |
| C10 | N11 | C12 | 112.5° | 113.5° |
| C10 | N11 | C15 | 105.8° | 107.0° |
| C22 | C10 | H10 | 106.7° | 106.7° |
| C10 | C22 | C16 | 103.6° | 105.8° |
| C10 | C22 | C20 | 118.6° | 118.2° |
| C10 | C22 | H22 | 110.0° | 110.1° |
| C12 | N11 | C15 | 107.3° | 105.3° |
| N11 | C12 | C13 | 107.2° | 106.5° |
| N11 | C12 | H121 | 109.9° | 113.5° |
| N11 | C12 | H122 | 111.1° | 108.5° |
| N11 | C15 | C14 | 107.7° | 105.0° |
| N11 | C15 | C16 | 105.1° | 104.4° |
| N11 | C15 | H15 | 108.8° | 110.6° |
| C13 | C12 | H121 | 110.0° | 112.5° |
| C13 | C12 | H122 | 110.0° | 109.2° |
| C12 | C13 | C14 | 107.1° | 105.7° |
| C12 | C13 | H132 | 110.3° | 111.1° |
| C12 | C13 | H131 | 110.3° | 111.1° |
| H121 | C12 | H122 | 108.6° | 106.6° |
| C14 | C13 | H132 | 110.2° | 110.0° |
| C14 | C13 | H131 | 110.2° | 111.3° |
| C13 | C14 | C15 | 103.1° | 105.0° |
| C13 | C14 | H141 | 111.0° | 111.4° |
| C13 | C14 | H142 | 110.8° | 109.8° |
| H132 | C13 | H131 | 108.6° | 107.8° |
| C15 | C14 | H141 | 111.0° | 111.2° |
| C15 | C14 | H142 | 111.2° | 112.2° |
| C14 | C15 | C16 | 118.3° | 114.8° |
| C14 | C15 | H15 | 107.6° | 109.7° |
| H141 | C14 | H142 | 109.6° | 107.2° |
| C16 | C15 | H15 | 109.0° | 111.9° |
| C15 | C16 | C17 | 114.7° | 113.2° |
| C15 | C16 | C22 | 106.5° | 104.4° |
| C15 | C16 | H16 | 109.1° | 112.4° |
| C17 | C16 | C22 | 107.8° | 104.5° |
| C17 | C16 | H16 | 110.1° | 111.1° |
| C16 | C17 | N19 | 103.8° | 103.8° |
| C16 | C17 | C18 | 113.1° | 111.5° |
| C16 | C17 | H17 | 110.4° | 111.9° |
| C22 | C16 | H16 | 108.4° | 110.8° |
| C16 | C22 | C20 | 104.1° | 104.3° |
| C16 | C22 | H22 | 109.3° | 109.6° |
| N19 | C17 | C18 | 109.3° | 114.1° |
| N19 | C17 | H17 | 110.7° | 106.7° |
| C17 | N19 | C20 | 113.1° | 113.2° |
| C17 | N19 | C23 | 121.6° | 122.3° |
| C18 | C17 | H17 | 109.4° | 108.7° |
| C17 | C18 | C41 | 114.1° | 110.5° |
| C17 | C18 | C42 | 109.3° | 110.6° |
| C17 | C18 | H18 | 107.3° | 108.3° |
| C20 | N19 | C23 | 118.5° | 124.0° |
| N19 | C20 | O21 | 122.7° | 127.8° |
| N19 | C20 | C22 | 107.8° | 107.9° |
| N19 | C23 | C24 | 104.7° | 112.0° |
| N19 | C23 | H231 | 111.5° | 107.9° |
| N19 | C23 | H232 | 110.5° | 107.8° |
| O21 | C20 | C22 | 129.5° | 124.3° |
| C20 | C22 | H22 | 110.4° | 108.4° |
| C24 | C23 | H231 | 110.8° | 110.6° |
| C24 | C23 | H232 | 110.4° | 111.0° |
| C23 | C24 | C32 | 120.7° | 119.6° |
| C23 | C24 | C25 | 120.8° | 119.6° |
| H231 | C23 | H232 | 108.9° | 107.3° |
| C32 | C24 | C25 | 118.6° | 120.7° |
| C24 | C32 | C31 | 122.5° | 119.6° |
| C24 | C32 | H29 | 119.1° | 120.9° |
| C24 | C25 | C26 | 120.0° | 119.6° |
| C24 | C25 | H25 | 120.2° | 120.9° |
| C31 | C32 | H29 | 118.5° | 119.5° |
| C32 | C31 | C30 | 118.1° | 120.0° |
| C32 | C31 | H28 | 121.0° | 119.2° |
| C30 | C31 | H28 | 120.9° | 120.8° |
| C31 | C30 | C26 | 121.0° | 120.0° |
| C31 | C30 | CL30 | 119.4° | 120.0° |
| C26 | C30 | CL30 | 119.6° | 120.0° |
| C30 | C26 | C25 | 119.9° | 120.1° |
| C30 | C26 | H26 | 120.0° | 120.8° |
| C25 | C26 | H26 | 120.1° | 119.1° |
| C26 | C25 | H25 | 119.8° | 119.6° |
| C41 | C18 | C42 | 112.0° | 110.6° |
| C41 | C18 | H18 | 107.3° | 108.3° |
| C18 | C41 | H323 | 108.4° | 111.3° |
| C18 | C41 | H322 | 110.5° | 110.8° |
| C18 | C41 | H321 | 110.4° | 110.8° |
| C42 | C18 | H18 | 106.4° | 108.4° |
| C18 | C42 | H333 | 110.8° | 111.4° |
| C18 | C42 | H332 | 108.6° | 110.8° |
| C18 | C42 | H331 | 110.9° | 110.7° |
| H323 | C41 | H322 | 109.4° | 108.0° |
| H323 | C41 | H321 | 109.4° | 108.0° |
| H322 | C41 | H321 | 108.8° | 107.8° |
| H333 | C42 | H332 | 108.9° | 108.0° |
| H333 | C42 | H331 | 109.3° | 108.0° |
| H332 | C42 | H331 | 108.5° | 107.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C3 | N2 | C4 | 179.4° | 180.0° |
| N1 | C3 | N2 | H12 | 179.8° | 0.3° |
| N1 | C3 | N2 | H11 | 0.5° | 179.0° |
| N1 | C3 | C4 | C9 | 1.0° | 180.0° |
| N1 | C3 | C4 | C5 | 177.9° | 0.1° |
| H20 | N1 | C3 | N2 | 179.9° | 180.0° |
| H20 | N1 | C3 | C4 | 0.5° | 0.0° |
| C3 | N2 | H12 | H11 | 179.3° | 179.3° |
| N2 | C3 | C4 | C9 | 178.4° | 0.0° |
| N2 | C3 | C4 | C5 | 2.7° | 179.9° |
| C4 | C3 | N2 | H12 | 0.4° | 179.8° |
| C4 | C3 | N2 | H11 | 179.0° | 1.0° |
| C3 | C4 | C9 | C5 | 178.9° | 179.9° |
| C3 | C4 | C9 | C8 | 178.2° | 180.0° |
| C3 | C4 | C9 | H5 | 0.1° | 0.1° |
| C3 | C4 | C5 | C6 | 179.3° | 180.0° |
| C3 | C4 | C5 | H9 | 1.2° | 0.1° |
| C4 | C9 | C8 | H5 | 178.4° | 179.9° |
| C4 | C9 | C8 | C7 | 2.7° | 0.0° |
| C4 | C9 | C8 | H6 | 179.0° | 180.0° |
| C9 | C4 | C5 | C6 | 0.4° | 0.1° |
| C9 | C4 | C5 | H9 | 179.8° | 180.0° |
| C5 | C4 | C9 | C8 | 0.7° | 0.0° |
| C5 | C4 | C9 | H5 | 179.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.5° | 0.0° |
| C4 | C5 | C6 | H9 | 179.4° | 179.9° |
| C4 | C5 | C6 | H8 | 179.1° | 180.0° |
| C9 | C8 | C7 | H6 | 176.3° | 180.0° |
| C9 | C8 | C7 | C6 | 3.4° | 0.0° |
| C9 | C8 | C7 | C10 | 179.2° | 180.0° |
| H5 | C9 | C8 | C7 | 179.0° | 179.9° |
| H5 | C9 | C8 | H6 | 2.7° | 0.0° |
| C8 | C7 | C6 | C10 | 177.3° | 180.0° |
| C8 | C7 | C6 | C5 | 2.4° | 0.0° |
| C8 | C7 | C6 | H8 | 179.1° | 180.0° |
| C8 | C7 | C10 | N11 | 156.2° | 150.4° |
| C8 | C7 | C10 | C22 | 84.2° | 87.7° |
| C8 | C7 | C10 | H10 | 35.9° | 30.0° |
| H6 | C8 | C7 | C6 | 179.7° | 180.0° |
| H6 | C8 | C7 | C10 | 2.9° | 0.0° |
| C7 | C6 | C5 | H8 | 178.6° | 179.9° |
| C7 | C6 | C5 | H9 | 178.9° | 179.9° |
| C6 | C7 | C10 | N11 | 21.0° | 29.6° |
| C6 | C7 | C10 | C22 | 98.5° | 92.3° |
| C6 | C7 | C10 | H10 | 141.4° | 150.0° |
| C10 | C7 | C6 | C5 | 179.7° | 180.0° |
| C10 | C7 | C6 | H8 | 1.8° | 0.0° |
| C7 | C10 | N11 | C22 | 127.7° | 127.3° |
| C7 | C10 | N11 | H10 | 120.1° | 117.8° |
| C7 | C10 | C22 | H10 | 120.6° | 117.1° |
| C7 | C10 | N11 | C12 | 73.7° | 91.8° |
| C7 | C10 | N11 | C15 | 169.4° | 152.5° |
| C7 | C10 | C22 | C16 | 162.6° | 130.0° |
| C7 | C10 | C22 | C20 | 47.8° | 13.7° |
| C7 | C10 | C22 | H22 | 80.7° | 111.6° |
| H8 | C6 | C5 | H9 | 0.3° | 0.1° |
| N11 | C10 | C22 | H10 | 113.2° | 117.2° |
| C10 | N11 | C12 | C15 | 116.0° | 116.7° |
| C10 | N11 | C12 | C13 | 107.0° | 85.0° |
| C10 | N11 | C12 | H121 | 133.4° | 39.3° |
| C10 | N11 | C12 | H122 | 13.2° | 157.6° |
| C10 | N11 | C15 | C14 | 96.9° | 84.9° |
| C10 | N11 | C15 | C16 | 30.1° | 36.3° |
| C10 | N11 | C15 | H15 | 146.8° | 156.8° |
| N11 | C10 | C22 | C16 | 36.4° | 4.3° |
| N11 | C10 | C22 | C20 | 78.4° | 112.0° |
| N11 | C10 | C22 | H22 | 153.1° | 122.7° |
| C22 | C10 | N11 | C12 | 158.5° | 140.9° |
| C22 | C10 | N11 | C15 | 41.7° | 25.1° |
| C10 | C22 | C16 | C15 | 18.6° | 17.1° |
| C10 | C22 | C16 | C17 | 142.2° | 102.0° |
| C10 | C22 | C16 | C20 | 124.7° | 125.4° |
| C10 | C22 | C16 | H22 | 117.3° | 118.7° |
| C10 | C22 | C16 | H16 | 98.7° | 138.3° |
| C10 | C22 | C20 | N19 | 132.8° | 103.5° |
| C10 | C22 | C20 | O21 | 50.5° | 75.3° |
| C10 | C22 | C20 | H22 | 128.3° | 126.1° |
| H10 | C10 | N11 | C12 | 46.4° | 26.0° |
| H10 | C10 | N11 | C15 | 70.5° | 89.7° |
| H10 | C10 | C22 | C16 | 76.8° | 112.9° |
| H10 | C10 | C22 | C20 | 168.4° | 130.8° |
| H10 | C10 | C22 | H22 | 39.9° | 5.5° |
| N11 | C12 | C13 | H121 | 119.5° | 124.9° |
| N11 | C12 | C13 | H122 | 121.0° | 116.9° |
| N11 | C12 | H121 | H122 | 121.8° | 119.3° |
| N11 | C12 | C13 | C14 | 8.7° | 14.8° |
| N11 | C12 | C13 | H132 | 111.3° | 104.5° |
| N11 | C12 | C13 | H131 | 128.7° | 135.6° |
| C12 | N11 | C15 | C14 | 23.5° | 36.2° |
| C12 | N11 | C15 | C16 | 150.5° | 157.3° |
| C12 | N11 | C15 | H15 | 92.8° | 82.1° |
| C15 | N11 | C12 | C13 | 9.0° | 31.8° |
| C15 | N11 | C12 | H121 | 110.5° | 156.1° |
| C15 | N11 | C12 | H122 | 129.2° | 85.7° |
| N11 | C15 | C14 | C13 | 28.1° | 26.3° |
| N11 | C15 | C14 | C16 | 118.9° | 114.1° |
| N11 | C15 | C14 | H15 | 117.1° | 118.8° |
| N11 | C15 | C14 | H141 | 147.0° | 147.0° |
| N11 | C15 | C14 | H142 | 90.7° | 92.8° |
| N11 | C15 | C16 | H15 | 116.5° | 119.7° |
| N11 | C15 | C16 | C17 | 112.7° | 80.5° |
| N11 | C15 | C16 | C22 | 6.4° | 32.5° |
| N11 | C15 | C16 | H16 | 123.2° | 152.6° |
| C13 | C12 | H121 | H122 | 120.4° | 119.7° |
| C12 | C13 | C14 | H132 | 120.0° | 120.0° |
| C12 | C13 | C14 | H131 | 120.0° | 120.7° |
| C12 | C13 | H132 | H131 | 121.0° | 121.9° |
| C12 | C13 | C14 | C15 | 22.1° | 7.1° |
| C12 | C13 | C14 | H141 | 141.0° | 127.6° |
| C12 | C13 | C14 | H142 | 96.9° | 113.7° |
| H121 | C12 | C13 | C14 | 128.2° | 139.7° |
| H121 | C12 | C13 | H132 | 8.2° | 20.5° |
| H121 | C12 | C13 | H131 | 111.8° | 99.5° |
| H122 | C12 | C13 | C14 | 112.2° | 102.1° |
| H122 | C12 | C13 | H132 | 127.8° | 138.6° |
| H122 | C12 | C13 | H131 | 7.8° | 18.7° |
| C14 | C13 | H132 | H131 | 120.9° | 121.5° |
| C13 | C14 | C15 | H141 | 118.9° | 120.6° |
| C13 | C14 | C15 | H142 | 118.8° | 119.2° |
| C13 | C14 | H141 | H142 | 122.8° | 120.1° |
| C13 | C14 | C15 | C16 | 147.0° | 140.4° |
| C13 | C14 | C15 | H15 | 89.0° | 92.5° |
| H132 | C13 | C14 | C15 | 97.9° | 127.0° |
| H132 | C13 | C14 | H141 | 21.0° | 112.4° |
| H132 | C13 | C14 | H142 | 143.0° | 6.2° |
| H131 | C13 | C14 | C15 | 142.2° | 113.6° |
| H131 | C13 | C14 | H141 | 98.9° | 6.9° |
| H131 | C13 | C14 | H142 | 23.1° | 125.6° |
| C15 | C14 | H141 | H142 | 123.2° | 123.1° |
| C14 | C15 | C16 | H15 | 123.3° | 125.9° |
| C14 | C15 | C16 | C17 | 127.1° | 165.0° |
| C14 | C15 | C16 | C22 | 113.8° | 81.9° |
| C14 | C15 | C16 | H16 | 3.0° | 38.2° |
| H141 | C14 | C15 | C16 | 94.1° | 98.9° |
| H141 | C14 | C15 | H15 | 29.9° | 28.1° |
| H142 | C14 | C15 | C16 | 28.2° | 21.2° |
| H142 | C14 | C15 | H15 | 152.2° | 148.3° |
| C15 | C16 | C17 | C22 | 118.4° | 113.0° |
| C15 | C16 | C17 | H16 | 123.6° | 127.5° |
| C15 | C16 | C22 | H16 | 117.3° | 121.2° |
| C15 | C16 | C17 | N19 | 108.2° | 137.5° |
| C15 | C16 | C17 | C18 | 133.4° | 99.1° |
| C15 | C16 | C17 | H17 | 10.4° | 22.9° |
| C15 | C16 | C22 | C20 | 106.1° | 142.5° |
| C15 | C16 | C22 | H22 | 135.9° | 101.6° |
| H15 | C15 | C16 | C17 | 3.8° | 39.1° |
| H15 | C15 | C16 | C22 | 122.9° | 152.1° |
| H15 | C15 | C16 | H16 | 120.3° | 87.7° |
| C17 | C16 | C22 | H16 | 119.2° | 119.7° |
| C16 | C17 | N19 | C18 | 120.9° | 121.6° |
| C16 | C17 | N19 | H17 | 118.5° | 118.3° |
| C16 | C17 | C18 | H17 | 123.6° | 123.8° |
| C16 | C17 | N19 | C20 | 1.6° | 17.3° |
| C16 | C17 | N19 | C23 | 152.1° | 171.1° |
| C17 | C16 | C22 | C20 | 17.4° | 23.3° |
| C17 | C16 | C22 | H22 | 100.6° | 139.3° |
| C16 | C17 | C18 | C41 | 59.5° | 61.5° |
| C16 | C17 | C18 | C42 | 66.8° | 61.3° |
| C16 | C17 | C18 | H18 | 178.3° | 180.0° |
| C22 | C16 | C17 | N19 | 10.2° | 24.5° |
| C22 | C16 | C17 | C18 | 108.2° | 147.9° |
| C22 | C16 | C17 | H17 | 128.8° | 90.1° |
| C16 | C22 | C20 | N19 | 18.4° | 13.6° |
| C16 | C22 | C20 | O21 | 165.0° | 167.6° |
| C16 | C22 | C20 | H22 | 117.2° | 116.8° |
| H16 | C16 | C17 | N19 | 128.2° | 94.9° |
| H16 | C16 | C17 | C18 | 9.9° | 28.4° |
| H16 | C16 | C17 | H17 | 113.1° | 150.4° |
| H16 | C16 | C22 | C20 | 136.6° | 96.3° |
| H16 | C16 | C22 | H22 | 18.6° | 19.6° |
| N19 | C17 | C18 | H17 | 121.3° | 118.9° |
| C17 | N19 | C20 | C23 | 151.5° | 171.5° |
| C17 | N19 | C20 | O21 | 170.1° | 176.4° |
| C17 | N19 | C20 | C22 | 13.0° | 2.4° |
| C17 | N19 | C23 | C24 | 114.6° | 80.7° |
| C17 | N19 | C23 | H231 | 125.5° | 157.3° |
| C17 | N19 | C23 | H232 | 4.2° | 41.7° |
| N19 | C17 | C18 | C41 | 55.6° | 178.8° |
| N19 | C17 | C18 | C42 | 178.2° | 55.9° |
| N19 | C17 | C18 | H18 | 63.2° | 62.7° |
| C18 | C17 | N19 | C20 | 122.6° | 138.9° |
| C18 | C17 | N19 | C23 | 86.9° | 49.5° |
| C17 | C18 | C41 | C42 | 124.9° | 122.9° |
| C17 | C18 | C41 | H18 | 118.7° | 118.5° |
| C17 | C18 | C42 | H18 | 115.6° | 118.6° |
| C17 | C18 | C41 | H323 | 135.7° | 61.6° |
| C17 | C18 | C41 | H322 | 104.5° | 178.2° |
| C17 | C18 | C41 | H321 | 15.9° | 58.6° |
| C17 | C18 | C42 | H333 | 134.5° | 61.2° |
| C17 | C18 | C42 | H332 | 106.0° | 178.6° |
| C17 | C18 | C42 | H331 | 13.0° | 59.0° |
| H17 | C17 | N19 | C20 | 116.9° | 101.1° |
| H17 | C17 | N19 | C23 | 33.6° | 70.6° |
| H17 | C17 | C18 | C41 | 176.9° | 62.3° |
| H17 | C17 | C18 | C42 | 56.8° | 174.8° |
| H17 | C17 | C18 | H18 | 58.2° | 56.2° |
| N19 | C20 | O21 | C22 | 176.2° | 178.6° |
| N19 | C20 | C22 | H22 | 98.8° | 130.4° |
| C20 | N19 | C23 | C24 | 96.4° | 90.0° |
| C20 | N19 | C23 | H231 | 23.5° | 32.0° |
| C20 | N19 | C23 | H232 | 144.8° | 147.6° |
| C23 | N19 | C20 | O21 | 18.6° | 4.9° |
| C23 | N19 | C20 | C22 | 164.5° | 173.9° |
| N19 | C23 | C24 | H231 | 120.4° | 120.4° |
| N19 | C23 | C24 | H232 | 118.9° | 120.5° |
| N19 | C23 | H231 | H232 | 122.2° | 115.9° |
| N19 | C23 | C24 | C32 | 85.8° | 90.0° |
| N19 | C23 | C24 | C25 | 92.6° | 90.1° |
| O21 | C20 | C22 | H22 | 77.8° | 50.8° |
| C24 | C23 | H231 | H232 | 121.6° | 121.3° |
| C23 | C24 | C32 | C25 | 178.5° | 180.0° |
| C23 | C24 | C32 | C31 | 178.5° | 180.0° |
| C23 | C24 | C32 | H29 | 0.7° | 0.0° |
| C23 | C24 | C25 | C26 | 178.9° | 180.0° |
| C23 | C24 | C25 | H25 | 1.3° | 0.0° |
| H231 | C23 | C24 | C32 | 34.5° | 30.4° |
| H231 | C23 | C24 | C25 | 147.0° | 149.5° |
| H232 | C23 | C24 | C32 | 155.2° | 149.5° |
| H232 | C23 | C24 | C25 | 26.3° | 30.5° |
| C24 | C32 | C31 | H29 | 179.2° | 180.0° |
| C24 | C32 | C31 | C30 | 0.4° | 0.0° |
| C24 | C32 | C31 | H28 | 179.3° | 180.0° |
| C32 | C24 | C25 | C26 | 0.4° | 0.0° |
| C32 | C24 | C25 | H25 | 179.9° | 180.0° |
| C25 | C24 | C32 | C31 | 0.0° | 0.0° |
| C25 | C24 | C32 | H29 | 179.3° | 180.0° |
| C24 | C25 | C26 | C30 | 0.4° | 0.0° |
| C24 | C25 | C26 | H25 | 179.8° | 179.9° |
| C24 | C25 | C26 | H26 | 179.3° | 179.9° |
| C32 | C31 | C30 | H28 | 178.9° | 180.0° |
| C32 | C31 | C30 | C26 | 0.3° | 0.0° |
| C32 | C31 | C30 | CL30 | 178.7° | 179.9° |
| H29 | C32 | C31 | C30 | 179.6° | 180.0° |
| H29 | C32 | C31 | H28 | 1.5° | 0.0° |
| C31 | C30 | C26 | CL30 | 179.0° | 179.9° |
| C31 | C30 | C26 | C25 | 0.1° | 0.0° |
| C31 | C30 | C26 | H26 | 179.6° | 180.0° |
| H28 | C31 | C30 | C26 | 179.2° | 180.0° |
| H28 | C31 | C30 | CL30 | 0.2° | 0.0° |
| C30 | C26 | C25 | H26 | 179.7° | 180.0° |
| C30 | C26 | C25 | H25 | 179.8° | 180.0° |
| CL30 | C30 | C26 | C25 | 179.1° | 179.9° |
| CL30 | C30 | C26 | H26 | 0.6° | 0.1° |
| H26 | C26 | C25 | H25 | 0.5° | 0.0° |
| C41 | C18 | C42 | H18 | 116.9° | 118.6° |
| C18 | C41 | H323 | H322 | 120.5° | 121.8° |
| C18 | C41 | H323 | H321 | 120.4° | 121.9° |
| C18 | C41 | H322 | H321 | 121.3° | 121.4° |
| C41 | C18 | C42 | H333 | 7.0° | 61.6° |
| C41 | C18 | C42 | H332 | 126.5° | 58.6° |
| C41 | C18 | C42 | H331 | 114.5° | 178.2° |
| C42 | C18 | C41 | H323 | 99.5° | 61.2° |
| C42 | C18 | C41 | H322 | 20.4° | 58.9° |
| C42 | C18 | C41 | H321 | 140.7° | 178.5° |
| C18 | C42 | H333 | H332 | 119.3° | 121.9° |
| C18 | C42 | H333 | H331 | 122.4° | 121.8° |
| C18 | C42 | H332 | H331 | 120.5° | 121.3° |
| H18 | C18 | C41 | H323 | 16.9° | 179.8° |
| H18 | C18 | C41 | H322 | 136.8° | 59.7° |
| H18 | C18 | C41 | H321 | 102.9° | 59.9° |
| H18 | C18 | C42 | H333 | 109.9° | 179.8° |
| H18 | C18 | C42 | H332 | 9.5° | 60.0° |
| H18 | C18 | C42 | H331 | 128.6° | 59.6° |
| H323 | C41 | H322 | H321 | 119.5° | 116.5° |
| H333 | C42 | H332 | H331 | 118.8° | 116.4° |
