LIU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C40 | C26 | sing | 1.54Å | 1.53Å | |
| O36 | N35 | doub | 1.25Å | 1.22Å | |
| C27 | C26 | sing | 1.54Å | 1.55Å | |
| C27 | S28 | sing | 1.82Å | 1.83Å | |
| C26 | N25 | sing | 1.43Å | 1.49Å | |
| C26 | C41 | sing | 1.53Å | 1.54Å | |
| O37 | N35 | sing | 1.25Å | 1.22Å | |
| N25 | C22 | sing | 1.41Å | 1.49Å | |
| N35 | C21 | sing | 1.42Å | 1.52Å | |
| S28 | C29 | sing | 1.77Å | 1.75Å | |
| C34 | C33 | doub | 1.39Å | 1.39Å | Aromatic |
| C34 | C29 | sing | 1.40Å | 1.40Å | Aromatic |
| C22 | C21 | doub | 1.39Å | 1.43Å | Aromatic |
| C22 | C23 | sing | 1.40Å | 1.40Å | Aromatic |
| C21 | C20 | sing | 1.40Å | 1.41Å | Aromatic |
| C33 | C32 | sing | 1.40Å | 1.40Å | Aromatic |
| C29 | C30 | doub | 1.40Å | 1.40Å | Aromatic |
| C23 | C24 | doub | 1.39Å | 1.38Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C32 | C31 | doub | 1.40Å | 1.40Å | Aromatic |
| C30 | C31 | sing | 1.39Å | 1.39Å | Aromatic |
| C24 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | S18 | sing | 1.77Å | 1.76Å | |
| O39 | S18 | doub | 1.45Å | 1.59Å | |
| S18 | N17 | sing | 1.72Å | 1.70Å | |
| S18 | O38 | doub | 1.45Å | 1.59Å | |
| O16 | C15 | doub | 1.24Å | 1.23Å | |
| N17 | C15 | sing | 1.44Å | 1.33Å | |
| C15 | C12 | sing | 1.45Å | 1.53Å | |
| C7 | C2 | sing | 1.54Å | 1.54Å | |
| C12 | C11 | doub | 1.39Å | 1.41Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.41Å | Aromatic |
| C11 | C10 | sing | 1.40Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.53Å | 1.55Å | |
| C3 | C2 | sing | 1.54Å | 1.56Å | |
| C13 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | C9 | doub | 1.41Å | 1.40Å | Aromatic |
| C14 | C9 | sing | 1.41Å | 1.41Å | Aromatic |
| C9 | N5 | sing | 1.40Å | 1.49Å | |
| C4 | N5 | sing | 1.47Å | 1.50Å | |
| C2 | C1 | sing | 1.54Å | 1.55Å | |
| C2 | C8 | sing | 1.54Å | 1.54Å | |
| N5 | C6 | sing | 1.47Å | 1.50Å | |
| C1 | C6 | sing | 1.53Å | 1.55Å | |
| C1 | H11A | sing | 1.10Å | 1.10Å | |
| C1 | H12 | sing | 1.10Å | 1.10Å | |
| C3 | H31A | sing | 1.10Å | 1.10Å | |
| C3 | H32A | sing | 1.10Å | 1.10Å | |
| C4 | H41 | sing | 1.10Å | 1.10Å | |
| C4 | H42 | sing | 1.10Å | 1.10Å | |
| C6 | H61 | sing | 1.10Å | 1.10Å | |
| C6 | H62 | sing | 1.10Å | 1.10Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C7 | H73 | sing | 1.09Å | 1.10Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C8 | H83 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.08Å | |
| C11 | H11 | sing | 1.09Å | 1.08Å | |
| C13 | H13 | sing | 1.09Å | 1.08Å | |
| C14 | H14 | sing | 1.09Å | 1.08Å | |
| N17 | HN17 | sing | 1.03Å | 1.00Å | |
| C20 | H20 | sing | 1.09Å | 1.08Å | |
| C23 | H23 | sing | 1.09Å | 1.08Å | |
| C24 | H24 | sing | 1.09Å | 1.08Å | |
| N25 | HN25 | sing | 1.00Å | 1.00Å | |
| C27 | H271 | sing | 1.10Å | 1.10Å | |
| C27 | H272 | sing | 1.10Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.08Å | |
| C31 | H31 | sing | 1.09Å | 1.08Å | |
| C32 | H32 | sing | 1.09Å | 1.08Å | |
| C33 | H33 | sing | 1.09Å | 1.08Å | |
| C34 | H34 | sing | 1.09Å | 1.08Å | |
| C40 | H401 | sing | 1.10Å | 1.10Å | |
| C40 | H402 | sing | 1.10Å | 1.10Å | |
| C40 | H403 | sing | 1.10Å | 1.10Å | |
| C41 | H411 | sing | 1.10Å | 1.10Å | |
| C41 | H412 | sing | 1.10Å | 1.10Å | |
| C41 | H413 | sing | 1.10Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C40 | C26 | C27 | 110.0° | 108.8° |
| C40 | C26 | N25 | 104.8° | 107.9° |
| C40 | C26 | C41 | 105.5° | 108.8° |
| C26 | C40 | H401 | 109.5° | 111.2° |
| C26 | C40 | H402 | 109.4° | 111.3° |
| C26 | C40 | H403 | 109.5° | 111.3° |
| O36 | N35 | O37 | 116.5° | 122.3° |
| O36 | N35 | C21 | 121.7° | 118.8° |
| C26 | C27 | S28 | 114.9° | 115.2° |
| C27 | C26 | N25 | 111.2° | 109.5° |
| C27 | C26 | C41 | 111.7° | 112.8° |
| C26 | C27 | H271 | 107.7° | 110.1° |
| C26 | C27 | H272 | 106.4° | 110.2° |
| C27 | S28 | C29 | 109.7° | 99.6° |
| S28 | C27 | H271 | 107.7° | 107.1° |
| S28 | C27 | H272 | 106.5° | 106.7° |
| N25 | C26 | C41 | 113.3° | 108.9° |
| C26 | N25 | C22 | 137.8° | 122.8° |
| C26 | N25 | HN25 | 101.0° | 120.4° |
| C26 | C41 | H411 | 109.5° | 112.2° |
| C26 | C41 | H412 | 109.5° | 111.1° |
| C26 | C41 | H413 | 109.5° | 111.0° |
| O37 | N35 | C21 | 121.8° | 118.8° |
| N25 | C22 | C21 | 119.5° | 121.1° |
| N25 | C22 | C23 | 121.7° | 118.9° |
| C22 | N25 | HN25 | 100.9° | 116.8° |
| N35 | C21 | C22 | 125.2° | 121.2° |
| N35 | C21 | C20 | 116.0° | 118.9° |
| S28 | C29 | C34 | 120.5° | 120.6° |
| S28 | C29 | C30 | 118.2° | 120.6° |
| C33 | C34 | C29 | 119.1° | 120.6° |
| C34 | C33 | C32 | 120.2° | 120.0° |
| C34 | C33 | H33 | 119.9° | 120.1° |
| C33 | C34 | H34 | 120.5° | 118.9° |
| C34 | C29 | C30 | 121.2° | 118.8° |
| C29 | C34 | H34 | 120.4° | 120.5° |
| C21 | C22 | C23 | 118.8° | 120.0° |
| C22 | C21 | C20 | 118.9° | 120.0° |
| C22 | C23 | C24 | 121.3° | 120.0° |
| C22 | C23 | H23 | 119.3° | 120.7° |
| C21 | C20 | C19 | 120.3° | 119.2° |
| C21 | C20 | H20 | 119.8° | 120.2° |
| C33 | C32 | C31 | 120.0° | 119.9° |
| C33 | C32 | H32 | 120.0° | 120.0° |
| C32 | C33 | H33 | 119.9° | 119.9° |
| C29 | C30 | C31 | 119.1° | 120.6° |
| C29 | C30 | H30 | 120.5° | 120.4° |
| C23 | C24 | C19 | 119.8° | 119.3° |
| C24 | C23 | H23 | 119.3° | 119.4° |
| C23 | C24 | H24 | 120.1° | 119.4° |
| C20 | C19 | C24 | 120.9° | 121.5° |
| C20 | C19 | S18 | 119.8° | 119.2° |
| C19 | C20 | H20 | 119.8° | 120.5° |
| C32 | C31 | C30 | 120.3° | 120.1° |
| C32 | C31 | H31 | 119.9° | 119.9° |
| C31 | C32 | H32 | 120.0° | 120.0° |
| C31 | C30 | H30 | 120.4° | 119.0° |
| C30 | C31 | H31 | 119.9° | 120.0° |
| C24 | C19 | S18 | 119.4° | 119.3° |
| C19 | C24 | H24 | 120.1° | 121.3° |
| C19 | S18 | O39 | 111.3° | 108.2° |
| C19 | S18 | N17 | 111.3° | 101.1° |
| C19 | S18 | O38 | 112.4° | 106.7° |
| O39 | S18 | N17 | 101.8° | 109.2° |
| O39 | S18 | O38 | 111.4° | 120.6° |
| N17 | S18 | O38 | 108.2° | 109.2° |
| S18 | N17 | C15 | 122.6° | 125.6° |
| S18 | N17 | HN17 | 118.7° | 117.2° |
| O16 | C15 | N17 | 115.8° | 121.3° |
| O16 | C15 | C12 | 122.1° | 122.0° |
| N17 | C15 | C12 | 122.1° | 116.7° |
| C15 | N17 | HN17 | 118.7° | 117.2° |
| C15 | C12 | C11 | 116.9° | 120.0° |
| C15 | C12 | C13 | 125.4° | 120.1° |
| C7 | C2 | C3 | 109.6° | 111.0° |
| C7 | C2 | C1 | 109.5° | 110.9° |
| C7 | C2 | C8 | 107.0° | 108.0° |
| C2 | C7 | H71 | 109.5° | 110.6° |
| C2 | C7 | H72 | 109.5° | 110.5° |
| C2 | C7 | H73 | 109.5° | 110.5° |
| C11 | C12 | C13 | 117.7° | 120.0° |
| C12 | C11 | C10 | 121.3° | 120.0° |
| C12 | C11 | H11 | 119.4° | 120.7° |
| C12 | C13 | C14 | 120.8° | 120.1° |
| C12 | C13 | H13 | 119.6° | 120.6° |
| C11 | C10 | C9 | 121.2° | 121.0° |
| C11 | C10 | H10 | 119.4° | 119.4° |
| C10 | C11 | H11 | 119.4° | 119.4° |
| C4 | C3 | C2 | 114.9° | 113.3° |
| C3 | C4 | N5 | 112.0° | 110.6° |
| C4 | C3 | H31A | 107.7° | 109.3° |
| C4 | C3 | H32A | 106.5° | 108.4° |
| C3 | C4 | H41 | 108.6° | 108.5° |
| C3 | C4 | H42 | 108.0° | 110.5° |
| C3 | C2 | C1 | 108.3° | 108.5° |
| C3 | C2 | C8 | 111.3° | 109.2° |
| C2 | C3 | H31A | 107.7° | 110.2° |
| C2 | C3 | H32A | 106.5° | 108.9° |
| C13 | C14 | C9 | 121.0° | 120.9° |
| C14 | C13 | H13 | 119.6° | 119.4° |
| C13 | C14 | H14 | 119.5° | 119.5° |
| C10 | C9 | C14 | 118.0° | 118.1° |
| C10 | C9 | N5 | 120.3° | 121.0° |
| C9 | C10 | H10 | 119.4° | 119.6° |
| C14 | C9 | N5 | 121.8° | 120.9° |
| C9 | C14 | H14 | 119.5° | 119.6° |
| C9 | N5 | C4 | 124.4° | 117.3° |
| C9 | N5 | C6 | 123.1° | 119.3° |
| C4 | N5 | C6 | 112.5° | 116.7° |
| N5 | C4 | H41 | 108.6° | 110.3° |
| N5 | C4 | H42 | 108.1° | 109.5° |
| C1 | C2 | C8 | 111.0° | 109.2° |
| C2 | C1 | C6 | 114.8° | 113.4° |
| C2 | C1 | H11A | 107.7° | 108.9° |
| C2 | C1 | H12 | 106.5° | 110.2° |
| C2 | C8 | H81 | 109.5° | 110.5° |
| C2 | C8 | H82 | 109.4° | 110.6° |
| C2 | C8 | H83 | 109.5° | 110.6° |
| N5 | C6 | C1 | 111.6° | 110.7° |
| N5 | C6 | H61 | 108.8° | 109.5° |
| N5 | C6 | H62 | 108.3° | 110.1° |
| C6 | C1 | H11A | 107.7° | 108.4° |
| C6 | C1 | H12 | 106.5° | 109.3° |
| C1 | C6 | H61 | 108.8° | 110.5° |
| C1 | C6 | H62 | 108.3° | 108.7° |
| H11A | C1 | H12 | 113.8° | 106.4° |
| H31A | C3 | H32A | 113.8° | 106.5° |
| H41 | C4 | H42 | 111.5° | 107.3° |
| H61 | C6 | H62 | 111.1° | 107.3° |
| H71 | C7 | H72 | 109.4° | 108.4° |
| H71 | C7 | H73 | 109.5° | 108.4° |
| H72 | C7 | H73 | 109.5° | 108.4° |
| H81 | C8 | H82 | 109.4° | 108.3° |
| H81 | C8 | H83 | 109.5° | 108.4° |
| H82 | C8 | H83 | 109.5° | 108.4° |
| H271 | C27 | H272 | 113.8° | 107.2° |
| H401 | C40 | H402 | 109.5° | 107.9° |
| H401 | C40 | H403 | 109.5° | 107.8° |
| H402 | C40 | H403 | 109.5° | 107.1° |
| H411 | C41 | H412 | 109.5° | 108.0° |
| H411 | C41 | H413 | 109.5° | 106.5° |
| H412 | C41 | H413 | 109.5° | 107.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C40 | C26 | C27 | N25 | 115.7° | 117.7° |
| C40 | C26 | C27 | C41 | 116.8° | 120.9° |
| C40 | C26 | C27 | S28 | 166.3° | 61.2° |
| C40 | C26 | N25 | C41 | 114.5° | 118.0° |
| C40 | C26 | N25 | C22 | 144.5° | 150.0° |
| C40 | C26 | N25 | HN25 | 24.5° | 29.9° |
| C40 | C26 | C27 | H271 | 73.7° | 60.0° |
| C40 | C26 | C27 | H272 | 48.7° | 178.0° |
| C26 | C40 | H401 | H402 | 120.0° | 122.4° |
| C26 | C40 | H401 | H403 | 120.0° | 122.3° |
| C26 | C40 | H402 | H403 | 120.0° | 121.8° |
| C40 | C26 | C41 | H411 | 51.3° | 174.0° |
| C40 | C26 | C41 | H412 | 68.8° | 64.9° |
| C40 | C26 | C41 | H413 | 171.2° | 54.9° |
| O36 | N35 | O37 | C21 | 179.9° | 179.9° |
| O36 | N35 | C21 | C22 | 37.0° | 0.1° |
| O36 | N35 | C21 | C20 | 142.7° | 180.0° |
| C26 | C27 | S28 | H271 | 120.0° | 122.8° |
| C26 | C27 | S28 | H272 | 117.6° | 122.7° |
| C27 | C26 | N25 | C41 | 126.7° | 123.7° |
| C27 | C26 | N25 | C22 | 96.7° | 31.7° |
| C26 | C27 | S28 | C29 | 78.0° | 180.0° |
| C27 | C26 | N25 | HN25 | 143.3° | 148.2° |
| C26 | C27 | H271 | H272 | 117.8° | 119.8° |
| C27 | C26 | C40 | H401 | 162.3° | 62.3° |
| C27 | C26 | C40 | H402 | 42.3° | 177.3° |
| C27 | C26 | C40 | H403 | 77.7° | 58.0° |
| C27 | C26 | C41 | H411 | 68.2° | 65.2° |
| C27 | C26 | C41 | H412 | 171.7° | 55.9° |
| C27 | C26 | C41 | H413 | 51.7° | 175.8° |
| S28 | C27 | C26 | N25 | 78.1° | 178.9° |
| S28 | C27 | C26 | C41 | 49.5° | 59.7° |
| C27 | S28 | C29 | C34 | 20.3° | 180.0° |
| C27 | S28 | C29 | C30 | 155.5° | 0.0° |
| S28 | C27 | H271 | H272 | 117.8° | 114.2° |
| C26 | N25 | C22 | HN25 | 120.0° | 180.0° |
| C26 | N25 | C22 | C21 | 178.0° | 119.9° |
| C26 | N25 | C22 | C23 | 0.2° | 60.0° |
| N25 | C26 | C27 | H271 | 41.9° | 57.7° |
| N25 | C26 | C27 | H272 | 164.4° | 60.3° |
| N25 | C26 | C40 | H401 | 78.1° | 178.9° |
| N25 | C26 | C40 | H402 | 162.0° | 58.6° |
| N25 | C26 | C40 | H403 | 41.9° | 60.8° |
| N25 | C26 | C41 | H411 | 165.3° | 56.6° |
| N25 | C26 | C41 | H412 | 45.3° | 177.7° |
| N25 | C26 | C41 | H413 | 74.7° | 62.4° |
| C41 | C26 | N25 | C22 | 30.0° | 92.0° |
| C41 | C26 | N25 | HN25 | 90.0° | 88.0° |
| C41 | C26 | C27 | H271 | 169.5° | 179.1° |
| C41 | C26 | C27 | H272 | 68.1° | 61.1° |
| C41 | C26 | C40 | H401 | 41.8° | 61.0° |
| C41 | C26 | C40 | H402 | 78.2° | 59.4° |
| C41 | C26 | C40 | H403 | 161.7° | 178.8° |
| C26 | C41 | H411 | H412 | 120.0° | 122.9° |
| C26 | C41 | H411 | H413 | 120.0° | 121.6° |
| C26 | C41 | H412 | H413 | 120.0° | 121.8° |
| O37 | N35 | C21 | C22 | 142.9° | 180.0° |
| O37 | N35 | C21 | C20 | 37.4° | 0.1° |
| N25 | C22 | C21 | N35 | 0.9° | 0.1° |
| N25 | C22 | C21 | C23 | 178.3° | 179.9° |
| N25 | C22 | C21 | C20 | 179.4° | 180.0° |
| N25 | C22 | C23 | C24 | 179.6° | 180.0° |
| N25 | C22 | C23 | H23 | 0.4° | 0.0° |
| N35 | C21 | C22 | C20 | 179.7° | 179.9° |
| N35 | C21 | C22 | C23 | 177.4° | 180.0° |
| N35 | C21 | C20 | C19 | 177.6° | 179.9° |
| N35 | C21 | C20 | H20 | 2.4° | 0.1° |
| S28 | C29 | C34 | C33 | 171.5° | 180.0° |
| S28 | C29 | C34 | C30 | 175.6° | 180.0° |
| S28 | C29 | C30 | C31 | 172.1° | 180.0° |
| C29 | S28 | C27 | H271 | 42.0° | 57.3° |
| C29 | S28 | C27 | H272 | 164.5° | 57.3° |
| S28 | C29 | C30 | H30 | 8.0° | 0.0° |
| S28 | C29 | C34 | H34 | 8.5° | 0.0° |
| C33 | C34 | C29 | H34 | 180.0° | 179.9° |
| C34 | C33 | C32 | H33 | 180.0° | 180.0° |
| C33 | C34 | C29 | C30 | 4.1° | 0.0° |
| C34 | C33 | C32 | C31 | 0.1° | 0.0° |
| C34 | C33 | C32 | H32 | 179.9° | 180.0° |
| C29 | C34 | C33 | C32 | 2.3° | 0.0° |
| C34 | C29 | C30 | C31 | 3.7° | 0.0° |
| C34 | C29 | C30 | H30 | 176.3° | 180.0° |
| C29 | C34 | C33 | H33 | 177.7° | 180.0° |
| C21 | C22 | C23 | C24 | 2.2° | 0.1° |
| C22 | C21 | C20 | C19 | 2.2° | 0.0° |
| C22 | C21 | C20 | H20 | 177.8° | 180.0° |
| C21 | C22 | C23 | H23 | 177.8° | 180.0° |
| C21 | C22 | N25 | HN25 | 62.0° | 60.1° |
| C23 | C22 | C21 | C20 | 2.3° | 0.1° |
| C22 | C23 | C24 | H23 | 180.0° | 180.0° |
| C22 | C23 | C24 | C19 | 1.8° | 0.0° |
| C22 | C23 | C24 | H24 | 178.2° | 180.0° |
| C23 | C22 | N25 | HN25 | 119.8° | 120.0° |
| C21 | C20 | C19 | H20 | 180.0° | 180.0° |
| C21 | C20 | C19 | C24 | 1.8° | 0.0° |
| C21 | C20 | C19 | S18 | 178.6° | 180.0° |
| C33 | C32 | C31 | H32 | 180.0° | 180.0° |
| C33 | C32 | C31 | C30 | 0.4° | 0.1° |
| C33 | C32 | C31 | H31 | 179.7° | 180.0° |
| C32 | C33 | C34 | H34 | 177.7° | 180.0° |
| C29 | C30 | C31 | C32 | 1.4° | 0.1° |
| C29 | C30 | C31 | H30 | 180.0° | 180.0° |
| C29 | C30 | C31 | H31 | 178.6° | 180.0° |
| C30 | C29 | C34 | H34 | 175.8° | 180.0° |
| C23 | C24 | C19 | C20 | 1.6° | 0.0° |
| C23 | C24 | C19 | H24 | 180.0° | 180.0° |
| C23 | C24 | C19 | S18 | 178.8° | 180.0° |
| C20 | C19 | C24 | S18 | 179.6° | 180.0° |
| C20 | C19 | S18 | O39 | 21.5° | 24.7° |
| C20 | C19 | S18 | N17 | 91.2° | 90.0° |
| C20 | C19 | S18 | O38 | 147.3° | 155.8° |
| C20 | C19 | C24 | H24 | 178.4° | 180.0° |
| C32 | C31 | C30 | H31 | 180.0° | 179.9° |
| C32 | C31 | C30 | H30 | 178.6° | 179.9° |
| C31 | C32 | C33 | H33 | 179.9° | 180.0° |
| C30 | C31 | C32 | H32 | 179.6° | 180.0° |
| C24 | C19 | S18 | O39 | 158.0° | 155.4° |
| C24 | C19 | S18 | N17 | 89.2° | 90.0° |
| C24 | C19 | S18 | O38 | 32.3° | 24.2° |
| C24 | C19 | C20 | H20 | 178.2° | 180.0° |
| C19 | C24 | C23 | H23 | 178.2° | 180.0° |
| C19 | S18 | O39 | N17 | 118.6° | 109.2° |
| C19 | S18 | O39 | O38 | 126.3° | 123.1° |
| C19 | S18 | N17 | O38 | 123.9° | 112.3° |
| C19 | S18 | N17 | C15 | 52.7° | 83.0° |
| C19 | S18 | N17 | HN17 | 127.3° | 97.0° |
| S18 | C19 | C20 | H20 | 1.4° | 0.0° |
| S18 | C19 | C24 | H24 | 1.2° | 0.0° |
| O39 | S18 | N17 | O38 | 117.4° | 133.8° |
| O39 | S18 | N17 | C15 | 171.4° | 30.9° |
| O39 | S18 | N17 | HN17 | 8.6° | 149.1° |
| S18 | N17 | C15 | O16 | 4.2° | 0.3° |
| S18 | N17 | C15 | HN17 | 180.0° | 180.0° |
| S18 | N17 | C15 | C12 | 175.4° | 180.0° |
| O38 | S18 | N17 | C15 | 71.2° | 164.7° |
| O38 | S18 | N17 | HN17 | 108.9° | 15.3° |
| O16 | C15 | N17 | C12 | 179.6° | 179.8° |
| O16 | C15 | C12 | C11 | 0.5° | 27.2° |
| O16 | C15 | C12 | C13 | 179.6° | 152.7° |
| O16 | C15 | N17 | HN17 | 175.8° | 179.7° |
| N17 | C15 | C12 | C11 | 179.1° | 153.0° |
| N17 | C15 | C12 | C13 | 0.8° | 27.0° |
| C15 | C12 | C11 | C13 | 179.9° | 180.0° |
| C15 | C12 | C11 | C10 | 179.9° | 179.9° |
| C15 | C12 | C13 | C14 | 180.0° | 180.0° |
| C15 | C12 | C11 | H11 | 0.0° | 0.0° |
| C15 | C12 | C13 | H13 | 0.0° | 0.1° |
| C12 | C15 | N17 | HN17 | 4.6° | 0.0° |
| C7 | C2 | C3 | C4 | 168.0° | 69.2° |
| C7 | C2 | C3 | C1 | 119.4° | 122.1° |
| C7 | C2 | C3 | C8 | 118.2° | 119.0° |
| C7 | C2 | C1 | C8 | 118.0° | 118.9° |
| C7 | C2 | C1 | C6 | 168.9° | 69.3° |
| C7 | C2 | C1 | H11A | 71.1° | 170.0° |
| C7 | C2 | C1 | H12 | 51.2° | 53.6° |
| C7 | C2 | C3 | H31A | 72.0° | 53.6° |
| C7 | C2 | C3 | H32A | 50.5° | 170.1° |
| C2 | C7 | H71 | H72 | 120.0° | 121.3° |
| C2 | C7 | H71 | H73 | 120.0° | 121.2° |
| C2 | C7 | H72 | H73 | 120.0° | 121.3° |
| C7 | C2 | C8 | H81 | 15.8° | 155.4° |
| C7 | C2 | C8 | H82 | 104.1° | 84.7° |
| C7 | C2 | C8 | H83 | 135.8° | 35.4° |
| C12 | C11 | C10 | H11 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.2° | 0.0° |
| C12 | C11 | C10 | C9 | 0.1° | 0.1° |
| C12 | C11 | C10 | H10 | 179.9° | 180.0° |
| C11 | C12 | C13 | H13 | 179.8° | 180.0° |
| C13 | C12 | C11 | C10 | 0.2° | 0.1° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C9 | 0.1° | 0.0° |
| C13 | C12 | C11 | H11 | 179.8° | 180.0° |
| C12 | C13 | C14 | H14 | 179.9° | 179.9° |
| C11 | C10 | C9 | H10 | 180.0° | 179.9° |
| C11 | C10 | C9 | C14 | 0.0° | 0.1° |
| C11 | C10 | C9 | N5 | 179.7° | 179.9° |
| C4 | C3 | C2 | H31A | 120.0° | 122.8° |
| C4 | C3 | C2 | H32A | 117.6° | 120.7° |
| C3 | C4 | N5 | C9 | 126.8° | 156.1° |
| C3 | C4 | N5 | H41 | 120.0° | 120.1° |
| C3 | C4 | N5 | H42 | 118.9° | 122.0° |
| C4 | C3 | C2 | C1 | 48.6° | 52.9° |
| C4 | C3 | C2 | C8 | 73.7° | 171.8° |
| C3 | C4 | N5 | C6 | 54.0° | 52.6° |
| C4 | C3 | H31A | H32A | 117.8° | 116.9° |
| C3 | C4 | H41 | H42 | 118.9° | 119.4° |
| C2 | C3 | C4 | N5 | 52.3° | 52.4° |
| C3 | C2 | C1 | C8 | 122.5° | 118.9° |
| C3 | C2 | C1 | C6 | 49.4° | 52.9° |
| C3 | C2 | C1 | H11A | 169.4° | 67.8° |
| C3 | C2 | C1 | H12 | 68.2° | 175.8° |
| C2 | C3 | H31A | H32A | 117.8° | 118.0° |
| C2 | C3 | C4 | H41 | 172.3° | 173.6° |
| C2 | C3 | C4 | H42 | 66.6° | 69.0° |
| C3 | C2 | C7 | H71 | 41.2° | 164.1° |
| C3 | C2 | C7 | H72 | 161.2° | 75.9° |
| C3 | C2 | C7 | H73 | 78.8° | 44.1° |
| C3 | C2 | C8 | H81 | 103.9° | 34.6° |
| C3 | C2 | C8 | H82 | 136.1° | 154.5° |
| C3 | C2 | C8 | H83 | 16.1° | 85.4° |
| C13 | C14 | C9 | C10 | 0.0° | 0.0° |
| C13 | C14 | C9 | H14 | 180.0° | 179.9° |
| C13 | C14 | C9 | N5 | 179.7° | 180.0° |
| C10 | C9 | C14 | N5 | 179.7° | 180.0° |
| C10 | C9 | N5 | C4 | 146.2° | 59.4° |
| C10 | C9 | N5 | C6 | 34.7° | 150.0° |
| C9 | C10 | C11 | H11 | 179.9° | 180.0° |
| C10 | C9 | C14 | H14 | 180.0° | 179.9° |
| C14 | C9 | N5 | C4 | 34.1° | 120.6° |
| C14 | C9 | N5 | C6 | 145.0° | 30.0° |
| C14 | C9 | C10 | H10 | 180.0° | 180.0° |
| C9 | C14 | C13 | H13 | 179.9° | 180.0° |
| C9 | N5 | C4 | C6 | 179.2° | 151.4° |
| C9 | N5 | C6 | C1 | 126.3° | 156.7° |
| C9 | N5 | C4 | H41 | 6.8° | 36.0° |
| C9 | N5 | C4 | H42 | 114.3° | 81.9° |
| C9 | N5 | C6 | H61 | 6.2° | 81.2° |
| C9 | N5 | C6 | H62 | 114.7° | 36.5° |
| N5 | C9 | C10 | H10 | 0.3° | 0.0° |
| N5 | C9 | C14 | H14 | 0.3° | 0.1° |
| C4 | N5 | C6 | C1 | 54.5° | 52.5° |
| N5 | C4 | C3 | H31A | 172.3° | 175.7° |
| N5 | C4 | C3 | H32A | 65.2° | 68.6° |
| N5 | C4 | H41 | H42 | 119.0° | 119.2° |
| C4 | N5 | C6 | H61 | 174.5° | 69.6° |
| C4 | N5 | C6 | H62 | 64.6° | 172.7° |
| C2 | C1 | C6 | N5 | 53.7° | 52.3° |
| C2 | C1 | C6 | H11A | 120.0° | 121.0° |
| C2 | C1 | C6 | H12 | 117.6° | 123.4° |
| C2 | C1 | H11A | H12 | 117.8° | 118.8° |
| C1 | C2 | C3 | H31A | 168.6° | 175.8° |
| C1 | C2 | C3 | H32A | 69.0° | 67.8° |
| C2 | C1 | C6 | H61 | 173.7° | 69.1° |
| C2 | C1 | C6 | H62 | 65.4° | 173.4° |
| C1 | C2 | C7 | H71 | 77.5° | 75.2° |
| C1 | C2 | C7 | H72 | 42.5° | 44.9° |
| C1 | C2 | C7 | H73 | 162.5° | 164.9° |
| C1 | C2 | C8 | H81 | 135.3° | 83.9° |
| C1 | C2 | C8 | H82 | 15.3° | 36.0° |
| C1 | C2 | C8 | H83 | 104.7° | 156.1° |
| C8 | C2 | C1 | C6 | 73.2° | 171.8° |
| C8 | C2 | C1 | H11A | 46.8° | 51.1° |
| C8 | C2 | C1 | H12 | 169.2° | 65.3° |
| C8 | C2 | C3 | H31A | 46.3° | 65.3° |
| C8 | C2 | C3 | H32A | 168.7° | 51.1° |
| C8 | C2 | C7 | H71 | 162.0° | 44.4° |
| C8 | C2 | C7 | H72 | 78.0° | 164.5° |
| C8 | C2 | C7 | H73 | 42.0° | 75.5° |
| C2 | C8 | H81 | H82 | 120.0° | 121.3° |
| C2 | C8 | H81 | H83 | 120.0° | 121.3° |
| C2 | C8 | H82 | H83 | 120.0° | 121.4° |
| N5 | C6 | C1 | H61 | 120.0° | 121.5° |
| N5 | C6 | C1 | H62 | 119.1° | 121.0° |
| N5 | C6 | C1 | H11A | 173.7° | 68.6° |
| N5 | C6 | C1 | H12 | 63.9° | 175.8° |
| C6 | N5 | C4 | H41 | 174.0° | 172.6° |
| C6 | N5 | C4 | H42 | 64.9° | 69.5° |
| N5 | C6 | H61 | H62 | 119.1° | 119.5° |
| C6 | C1 | H11A | H12 | 117.8° | 117.5° |
| C1 | C6 | H61 | H62 | 119.1° | 118.3° |
| H11A | C1 | C6 | H61 | 66.3° | 169.9° |
| H11A | C1 | C6 | H62 | 54.6° | 52.4° |
| H12 | C1 | C6 | H61 | 56.1° | 54.3° |
| H12 | C1 | C6 | H62 | 177.0° | 63.2° |
| H31A | C3 | C4 | H41 | 67.7° | 63.1° |
| H31A | C3 | C4 | H42 | 53.4° | 54.3° |
| H32A | C3 | C4 | H41 | 54.8° | 52.5° |
| H32A | C3 | C4 | H42 | 175.9° | 169.9° |
| H71 | C7 | H72 | H73 | 120.0° | 117.4° |
| H81 | C8 | H82 | H83 | 120.0° | 117.4° |
| H10 | C10 | C11 | H11 | 0.1° | 0.1° |
| H13 | C13 | C14 | H14 | 0.0° | 0.1° |
| H23 | C23 | C24 | H24 | 1.8° | 0.0° |
| H30 | C30 | C31 | H31 | 1.4° | 0.0° |
| H31 | C31 | C32 | H32 | 0.3° | 0.0° |
| H32 | C32 | C33 | H33 | 0.1° | 0.0° |
| H33 | C33 | C34 | H34 | 2.4° | 0.0° |
| H401 | C40 | H402 | H403 | 120.0° | 115.9° |
| H411 | C41 | H412 | H413 | 120.0° | 114.7° |
