KYT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | RU1 | sing | 2.83Å | 2.83Å | |
| N1 | C1 | sing | 1.46Å | 1.46Å | |
| N1 | HAF1 | sing | 1.02Å | 1.02Å | |
| N1 | HAF2 | sing | 1.02Å | 1.02Å | |
| C1 | C2 | sing | 1.54Å | 1.54Å | |
| C1 | C13 | sing | 1.53Å | 1.53Å | |
| C1 | HAE | sing | 1.10Å | 1.10Å | |
| C2 | N3 | sing | 1.41Å | 1.41Å | |
| C2 | HAD1 | sing | 1.09Å | 1.09Å | |
| C2 | HAD2 | sing | 1.09Å | 1.09Å | |
| C3 | C4 | sing | 1.48Å | 1.48Å | |
| C3 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | C11 | doub | 1.36Å | 1.36Å | Aromatic |
| C4 | C5 | sing | 1.56Å | 1.56Å | |
| C4 | C6 | sing | 1.55Å | 1.55Å | |
| C4 | H10 | sing | 1.10Å | 1.10Å | |
| C5 | H81C | sing | 1.09Å | 1.09Å | |
| C5 | H82C | sing | 1.09Å | 1.09Å | |
| C5 | H83C | sing | 1.09Å | 1.09Å | |
| C6 | H71C | sing | 1.09Å | 1.09Å | |
| C6 | H72C | sing | 1.09Å | 1.09Å | |
| C6 | H73C | sing | 1.09Å | 1.09Å | |
| C7 | C8 | doub | 1.35Å | 1.35Å | Aromatic |
| C7 | H1 | sing | 1.00Å | 1.00Å | |
| C8 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | H2 | sing | 0.99Å | 0.99Å | |
| C9 | C10 | sing | 1.46Å | 1.46Å | |
| C9 | C12 | doub | 1.36Å | 1.36Å | Aromatic |
| C10 | H91C | sing | 1.09Å | 1.09Å | |
| C10 | H92C | sing | 1.09Å | 1.09Å | |
| C10 | H93C | sing | 1.09Å | 1.09Å | |
| C11 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | H5 | sing | 0.99Å | 0.99Å | |
| C12 | H4 | sing | 1.00Å | 1.00Å | |
| N2 | C13 | sing | 1.47Å | 1.47Å | |
| N2 | HAI1 | sing | 1.02Å | 1.02Å | |
| N2 | HAI2 | sing | 1.02Å | 1.02Å | |
| C13 | C14 | sing | 1.54Å | 1.54Å | |
| C13 | HAH | sing | 1.10Å | 1.10Å | |
| C14 | N3 | sing | 1.41Å | 1.41Å | |
| C14 | HAG1 | sing | 1.09Å | 1.09Å | |
| C14 | HAG2 | sing | 1.09Å | 1.09Å | |
| N3 | C15 | sing | 1.31Å | 1.31Å | |
| C15 | O1 | doub | 1.22Å | 1.22Å | |
| C15 | C16 | sing | 1.46Å | 1.46Å | |
| C16 | C17 | sing | 1.56Å | 1.56Å | |
| C16 | H401 | sing | 1.09Å | 1.09Å | |
| C16 | H402 | sing | 1.09Å | 1.09Å | |
| C17 | C18 | sing | 1.55Å | 1.55Å | |
| C17 | H451 | sing | 1.09Å | 1.09Å | |
| C17 | H452 | sing | 1.09Å | 1.09Å | |
| C18 | C19 | sing | 1.55Å | 1.55Å | |
| C18 | H461 | sing | 1.09Å | 1.09Å | |
| C18 | H462 | sing | 1.09Å | 1.09Å | |
| C19 | C20 | sing | 1.56Å | 1.56Å | |
| C19 | H471 | sing | 1.09Å | 1.09Å | |
| C19 | H472 | sing | 1.09Å | 1.09Å | |
| C20 | C21 | sing | 1.55Å | 1.55Å | |
| C20 | S1 | sing | 1.82Å | 1.82Å | |
| C20 | H48 | sing | 1.09Å | 1.09Å | |
| C21 | N4 | sing | 1.38Å | 1.38Å | |
| C21 | C23 | sing | 1.56Å | 1.56Å | |
| C21 | H49 | sing | 1.09Å | 1.09Å | |
| N4 | C24 | sing | 1.27Å | 1.27Å | |
| N4 | H53 | sing | 0.94Å | 0.94Å | |
| S1 | C22 | sing | 1.82Å | 1.82Å | |
| C22 | C23 | sing | 1.55Å | 1.55Å | |
| C22 | H511 | sing | 1.09Å | 1.09Å | |
| C22 | H512 | sing | 1.09Å | 1.09Å | |
| C23 | N5 | sing | 1.38Å | 1.38Å | |
| C23 | H50 | sing | 1.09Å | 1.09Å | |
| N5 | C24 | sing | 1.27Å | 1.27Å | |
| N5 | H55 | sing | 0.94Å | 0.94Å | |
| C24 | O2 | doub | 1.22Å | 1.22Å | |
| N2 | RU1 | sing | 2.24Å | 2.24Å | |
| N1 | RU1 | sing | 2.22Å | 2.22Å | |
| C3 | RU1 | sing | 2.15Å | 2.15Å | |
| C8 | RU1 | sing | 2.16Å | 2.16Å | |
| C12 | RU1 | sing | 2.16Å | 2.16Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | RU1 | N2 | 82.4° | 82.4° |
| CL1 | RU1 | N1 | 75.3° | 75.3° |
| CL1 | RU1 | C3 | 111.5° | 111.5° |
| CL1 | RU1 | C8 | 111.5° | 111.5° |
| CL1 | RU1 | C12 | 177.5° | 177.5° |
| C1 | N1 | HAF1 | 111.2° | 111.2° |
| C1 | N1 | HAF2 | 110.7° | 110.7° |
| N1 | C1 | C2 | 119.2° | 119.2° |
| N1 | C1 | C13 | 108.0° | 108.0° |
| N1 | C1 | HAE | 107.9° | 107.9° |
| C1 | N1 | RU1 | 102.2° | 102.2° |
| HAF1 | N1 | HAF2 | 111.1° | 111.1° |
| HAF1 | N1 | RU1 | 111.3° | 111.3° |
| HAF2 | N1 | RU1 | 110.0° | 110.0° |
| C2 | C1 | C13 | 102.2° | 102.2° |
| C2 | C1 | HAE | 109.1° | 109.1° |
| C1 | C2 | N3 | 103.1° | 103.1° |
| C1 | C2 | HAD1 | 110.9° | 110.9° |
| C1 | C2 | HAD2 | 110.0° | 110.0° |
| C13 | C1 | HAE | 110.1° | 110.1° |
| C1 | C13 | N2 | 108.3° | 108.3° |
| C1 | C13 | C14 | 101.5° | 101.5° |
| C1 | C13 | HAH | 110.5° | 110.5° |
| N3 | C2 | HAD1 | 111.1° | 111.1° |
| N3 | C2 | HAD2 | 112.4° | 112.4° |
| C2 | N3 | C14 | 114.5° | 114.5° |
| C2 | N3 | C15 | 123.2° | 123.2° |
| HAD1 | C2 | HAD2 | 109.3° | 109.3° |
| C4 | C3 | C7 | 120.4° | 120.4° |
| C4 | C3 | C11 | 122.3° | 122.3° |
| C3 | C4 | C5 | 114.0° | 114.0° |
| C3 | C4 | C6 | 111.3° | 111.3° |
| C3 | C4 | H10 | 109.2° | 109.2° |
| C4 | C3 | RU1 | 130.6° | 130.6° |
| C7 | C3 | C11 | 117.2° | 117.2° |
| C3 | C7 | C8 | 121.5° | 121.5° |
| C3 | C7 | H1 | 120.2° | 120.2° |
| C7 | C3 | RU1 | 71.6° | 71.6° |
| C3 | C11 | C12 | 121.6° | 121.6° |
| C3 | C11 | H5 | 120.4° | 120.4° |
| C11 | C3 | RU1 | 71.5° | 71.5° |
| C5 | C4 | C6 | 111.6° | 111.6° |
| C5 | C4 | H10 | 104.6° | 104.6° |
| C4 | C5 | H81C | 109.9° | 109.9° |
| C4 | C5 | H82C | 110.7° | 110.7° |
| C4 | C5 | H83C | 111.5° | 111.5° |
| C6 | C4 | H10 | 105.6° | 105.6° |
| C4 | C6 | H71C | 110.2° | 110.2° |
| C4 | C6 | H72C | 111.3° | 111.3° |
| C4 | C6 | H73C | 110.2° | 110.2° |
| H81C | C5 | H82C | 107.6° | 107.6° |
| H81C | C5 | H83C | 108.2° | 108.2° |
| H82C | C5 | H83C | 109.0° | 109.0° |
| H71C | C6 | H72C | 108.4° | 108.4° |
| H71C | C6 | H73C | 107.9° | 107.9° |
| H72C | C6 | H73C | 108.7° | 108.7° |
| C8 | C7 | H1 | 118.2° | 118.2° |
| C7 | C8 | C9 | 120.4° | 120.4° |
| C7 | C8 | H2 | 119.0° | 119.0° |
| C7 | C8 | RU1 | 71.9° | 71.9° |
| C9 | C8 | H2 | 120.5° | 120.5° |
| C8 | C9 | C10 | 121.1° | 121.1° |
| C8 | C9 | C12 | 118.6° | 118.6° |
| C9 | C8 | RU1 | 72.9° | 72.9° |
| H2 | C8 | RU1 | 131.1° | 131.1° |
| C10 | C9 | C12 | 120.3° | 120.3° |
| C9 | C10 | H91C | 109.6° | 109.6° |
| C9 | C10 | H92C | 110.7° | 110.7° |
| C9 | C10 | H93C | 112.4° | 112.4° |
| C9 | C12 | C11 | 120.5° | 120.5° |
| C9 | C12 | H4 | 120.4° | 120.4° |
| C9 | C12 | RU1 | 73.2° | 73.2° |
| H91C | C10 | H92C | 108.5° | 108.5° |
| H91C | C10 | H93C | 108.1° | 108.1° |
| H92C | C10 | H93C | 107.4° | 107.4° |
| C12 | C11 | H5 | 118.0° | 118.0° |
| C11 | C12 | H4 | 119.0° | 119.0° |
| C11 | C12 | RU1 | 71.0° | 71.0° |
| H4 | C12 | RU1 | 129.8° | 129.8° |
| C13 | N2 | HAI1 | 110.2° | 110.2° |
| C13 | N2 | HAI2 | 110.8° | 110.8° |
| N2 | C13 | C14 | 119.4° | 119.4° |
| N2 | C13 | HAH | 107.6° | 107.6° |
| C13 | N2 | RU1 | 104.3° | 104.3° |
| HAI1 | N2 | HAI2 | 110.3° | 110.3° |
| HAI1 | N2 | RU1 | 109.8° | 109.8° |
| HAI2 | N2 | RU1 | 111.3° | 111.3° |
| C14 | C13 | HAH | 109.3° | 109.3° |
| C13 | C14 | N3 | 103.9° | 103.9° |
| C13 | C14 | HAG1 | 110.2° | 110.2° |
| C13 | C14 | HAG2 | 110.6° | 110.6° |
| N3 | C14 | HAG1 | 111.8° | 111.8° |
| N3 | C14 | HAG2 | 111.2° | 111.2° |
| C14 | N3 | C15 | 122.3° | 122.3° |
| HAG1 | C14 | HAG2 | 109.1° | 109.1° |
| N3 | C15 | O1 | 118.2° | 118.2° |
| N3 | C15 | C16 | 122.2° | 122.2° |
| O1 | C15 | C16 | 119.6° | 119.6° |
| C15 | C16 | C17 | 116.1° | 116.1° |
| C15 | C16 | H401 | 108.1° | 108.1° |
| C15 | C16 | H402 | 108.2° | 108.2° |
| C17 | C16 | H401 | 108.6° | 108.6° |
| C17 | C16 | H402 | 107.7° | 107.7° |
| C16 | C17 | C18 | 112.7° | 112.7° |
| C16 | C17 | H451 | 108.8° | 108.8° |
| C16 | C17 | H452 | 109.6° | 109.6° |
| H401 | C16 | H402 | 107.9° | 107.9° |
| C18 | C17 | H451 | 109.2° | 109.2° |
| C18 | C17 | H452 | 108.4° | 108.4° |
| C17 | C18 | C19 | 113.4° | 113.4° |
| C17 | C18 | H461 | 108.5° | 108.5° |
| C17 | C18 | H462 | 109.0° | 109.0° |
| H451 | C17 | H452 | 108.0° | 108.0° |
| C19 | C18 | H461 | 108.8° | 108.8° |
| C19 | C18 | H462 | 109.0° | 109.0° |
| C18 | C19 | C20 | 112.9° | 112.9° |
| C18 | C19 | H471 | 109.4° | 109.4° |
| C18 | C19 | H472 | 108.4° | 108.4° |
| H461 | C18 | H462 | 108.1° | 108.1° |
| C20 | C19 | H471 | 109.5° | 109.5° |
| C20 | C19 | H472 | 108.5° | 108.5° |
| C19 | C20 | C21 | 116.2° | 116.2° |
| C19 | C20 | S1 | 113.9° | 113.9° |
| C19 | C20 | H48 | 109.3° | 109.3° |
| H471 | C19 | H472 | 108.0° | 108.0° |
| C21 | C20 | S1 | 102.7° | 102.7° |
| C21 | C20 | H48 | 107.2° | 107.2° |
| C20 | C21 | N4 | 114.9° | 114.9° |
| C20 | C21 | C23 | 111.7° | 111.7° |
| C20 | C21 | H49 | 109.6° | 109.6° |
| S1 | C20 | H48 | 107.0° | 107.0° |
| C20 | S1 | C22 | 96.8° | 96.8° |
| N4 | C21 | C23 | 101.0° | 101.0° |
| N4 | C21 | H49 | 108.3° | 108.3° |
| C21 | N4 | C24 | 113.2° | 113.2° |
| C21 | N4 | H53 | 123.7° | 123.7° |
| C23 | C21 | H49 | 111.0° | 111.0° |
| C21 | C23 | C22 | 112.0° | 112.0° |
| C21 | C23 | N5 | 101.3° | 101.3° |
| C21 | C23 | H50 | 111.3° | 111.3° |
| C24 | N4 | H53 | 123.1° | 123.1° |
| N4 | C24 | N5 | 111.2° | 111.2° |
| N4 | C24 | O2 | 124.4° | 124.4° |
| S1 | C22 | C23 | 104.3° | 104.3° |
| S1 | C22 | H511 | 108.5° | 108.5° |
| S1 | C22 | H512 | 110.8° | 110.8° |
| C23 | C22 | H511 | 110.2° | 110.2° |
| C23 | C22 | H512 | 113.2° | 113.2° |
| C22 | C23 | N5 | 111.9° | 111.9° |
| C22 | C23 | H50 | 110.6° | 110.6° |
| H511 | C22 | H512 | 109.6° | 109.6° |
| N5 | C23 | H50 | 109.5° | 109.5° |
| C23 | N5 | C24 | 113.0° | 113.0° |
| C23 | N5 | H55 | 123.5° | 123.5° |
| C24 | N5 | H55 | 123.5° | 123.5° |
| N5 | C24 | O2 | 124.4° | 124.4° |
| N2 | RU1 | N1 | 81.2° | 81.2° |
| N2 | RU1 | C3 | 108.3° | 108.3° |
| N2 | RU1 | C8 | 166.2° | 166.2° |
| N2 | RU1 | C12 | 100.1° | 100.1° |
| N1 | RU1 | C3 | 168.6° | 168.6° |
| N1 | RU1 | C8 | 101.9° | 101.9° |
| N1 | RU1 | C12 | 105.5° | 105.5° |
| C3 | RU1 | C8 | 67.3° | 67.3° |
| C3 | RU1 | C12 | 67.3° | 67.3° |
| C8 | RU1 | C12 | 66.1° | 66.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | RU1 | N1 | C1 | 106.8° | 106.8° |
| CL1 | RU1 | N1 | HAF1 | 134.4° | 134.4° |
| CL1 | RU1 | N1 | HAF2 | 10.8° | 10.8° |
| CL1 | RU1 | C3 | C4 | 36.9° | 36.9° |
| CL1 | RU1 | C3 | C7 | 77.7° | 77.7° |
| CL1 | RU1 | C3 | C11 | 154.0° | 154.0° |
| CL1 | RU1 | C8 | C7 | 77.1° | 77.1° |
| CL1 | RU1 | C8 | C9 | 151.8° | 151.8° |
| CL1 | RU1 | C8 | H2 | 36.0° | 36.0° |
| CL1 | RU1 | C12 | C9 | 41.8° | 41.8° |
| CL1 | RU1 | C12 | C11 | 89.8° | 89.8° |
| CL1 | RU1 | C12 | H4 | 157.8° | 157.8° |
| CL1 | RU1 | N2 | C13 | 64.9° | 64.9° |
| CL1 | RU1 | N2 | HAI1 | 177.0° | 177.0° |
| CL1 | RU1 | N2 | HAI2 | 54.6° | 54.6° |
| CL1 | RU1 | N2 | N1 | 76.2° | 76.2° |
| CL1 | RU1 | N2 | C3 | 110.2° | 110.2° |
| CL1 | RU1 | N2 | C8 | 179.7° | 179.7° |
| CL1 | RU1 | N2 | C12 | 179.5° | 179.5° |
| CL1 | RU1 | N1 | C3 | 128.2° | 128.2° |
| CL1 | RU1 | N1 | C8 | 109.3° | 109.3° |
| CL1 | RU1 | N1 | C12 | 177.6° | 177.6° |
| CL1 | RU1 | C3 | C8 | 105.1° | 105.1° |
| CL1 | RU1 | C3 | C12 | 177.6° | 177.6° |
| CL1 | RU1 | C8 | C12 | 179.4° | 179.4° |
| C1 | N1 | HAF1 | HAF2 | 123.8° | 123.8° |
| C1 | N1 | HAF1 | RU1 | 113.2° | 113.2° |
| C1 | N1 | HAF2 | RU1 | 112.2° | 112.2° |
| N1 | C1 | C2 | C13 | 118.9° | 118.9° |
| N1 | C1 | C2 | HAE | 124.5° | 124.5° |
| N1 | C1 | C13 | HAE | 117.5° | 117.5° |
| N1 | C1 | C2 | N3 | 151.0° | 151.0° |
| N1 | C1 | C2 | HAD1 | 32.1° | 32.1° |
| N1 | C1 | C2 | HAD2 | 88.9° | 88.9° |
| N1 | C1 | C13 | N2 | 69.2° | 69.2° |
| N1 | C1 | C13 | C14 | 164.3° | 164.3° |
| N1 | C1 | C13 | HAH | 48.5° | 48.5° |
| C1 | N1 | RU1 | N2 | 22.5° | 22.5° |
| C1 | N1 | RU1 | C3 | 125.0° | 125.0° |
| C1 | N1 | RU1 | C8 | 143.8° | 143.8° |
| C1 | N1 | RU1 | C12 | 75.6° | 75.6° |
| HAF1 | N1 | HAF2 | RU1 | 123.7° | 123.7° |
| HAF1 | N1 | C1 | C2 | 72.3° | 72.3° |
| HAF1 | N1 | C1 | C13 | 171.8° | 171.8° |
| HAF1 | N1 | C1 | HAE | 52.8° | 52.8° |
| HAF1 | N1 | RU1 | N2 | 141.3° | 141.3° |
| HAF1 | N1 | RU1 | C3 | 6.2° | 6.2° |
| HAF1 | N1 | RU1 | C8 | 25.0° | 25.0° |
| HAF1 | N1 | RU1 | C12 | 43.2° | 43.2° |
| HAF2 | N1 | C1 | C2 | 51.7° | 51.7° |
| HAF2 | N1 | C1 | C13 | 64.2° | 64.2° |
| HAF2 | N1 | C1 | HAE | 176.8° | 176.8° |
| HAF2 | N1 | RU1 | N2 | 95.1° | 95.1° |
| HAF2 | N1 | RU1 | C3 | 117.4° | 117.4° |
| HAF2 | N1 | RU1 | C8 | 98.6° | 98.6° |
| HAF2 | N1 | RU1 | C12 | 166.8° | 166.8° |
| C2 | C1 | C13 | HAE | 115.9° | 115.9° |
| C1 | C2 | N3 | HAD1 | 118.8° | 118.8° |
| C1 | C2 | N3 | HAD2 | 118.5° | 118.5° |
| C1 | C2 | HAD1 | HAD2 | 121.4° | 121.4° |
| C2 | C1 | C13 | N2 | 164.3° | 164.3° |
| C2 | C1 | C13 | C14 | 37.7° | 37.7° |
| C2 | C1 | C13 | HAH | 78.1° | 78.1° |
| C1 | C2 | N3 | C14 | 13.8° | 13.8° |
| C1 | C2 | N3 | C15 | 165.6° | 165.6° |
| C2 | C1 | N1 | RU1 | 168.9° | 168.9° |
| C13 | C1 | C2 | N3 | 32.1° | 32.1° |
| C13 | C1 | C2 | HAD1 | 86.8° | 86.8° |
| C13 | C1 | C2 | HAD2 | 152.2° | 152.2° |
| C1 | C13 | N2 | C14 | 115.3° | 115.3° |
| C1 | C13 | N2 | HAH | 119.5° | 119.5° |
| C1 | C13 | N2 | HAI1 | 75.0° | 75.0° |
| C1 | C13 | N2 | HAI2 | 162.6° | 162.6° |
| C1 | C13 | C14 | HAH | 116.7° | 116.7° |
| C1 | C13 | C14 | N3 | 30.0° | 30.0° |
| C1 | C13 | C14 | HAG1 | 149.8° | 149.8° |
| C1 | C13 | C14 | HAG2 | 89.4° | 89.4° |
| C1 | C13 | N2 | RU1 | 42.8° | 42.8° |
| C13 | C1 | N1 | RU1 | 52.9° | 52.9° |
| HAE | C1 | C2 | N3 | 84.5° | 84.5° |
| HAE | C1 | C2 | HAD1 | 156.6° | 156.6° |
| HAE | C1 | C2 | HAD2 | 35.6° | 35.6° |
| HAE | C1 | C13 | N2 | 48.4° | 48.4° |
| HAE | C1 | C13 | C14 | 78.2° | 78.2° |
| HAE | C1 | C13 | HAH | 166.0° | 166.0° |
| HAE | C1 | N1 | RU1 | 66.0° | 66.0° |
| N3 | C2 | HAD1 | HAD2 | 124.6° | 124.6° |
| C2 | N3 | C14 | C13 | 10.4° | 10.4° |
| C2 | N3 | C14 | C15 | 179.4° | 179.4° |
| C2 | N3 | C14 | HAG1 | 129.2° | 129.2° |
| C2 | N3 | C14 | HAG2 | 108.6° | 108.6° |
| C2 | N3 | C15 | O1 | 127.3° | 127.3° |
| C2 | N3 | C15 | C16 | 51.6° | 51.6° |
| HAD1 | C2 | N3 | C14 | 104.9° | 104.9° |
| HAD1 | C2 | N3 | C15 | 75.6° | 75.6° |
| HAD2 | C2 | N3 | C14 | 132.3° | 132.3° |
| HAD2 | C2 | N3 | C15 | 47.1° | 47.1° |
| C4 | C3 | C7 | C11 | 176.4° | 176.4° |
| C4 | C3 | C7 | RU1 | 126.8° | 126.8° |
| C4 | C3 | C11 | RU1 | 126.8° | 126.8° |
| C3 | C4 | C5 | C6 | 127.2° | 127.2° |
| C3 | C4 | C5 | H10 | 119.2° | 119.2° |
| C3 | C4 | C6 | H10 | 118.4° | 118.4° |
| C3 | C4 | C5 | H81C | 171.2° | 171.2° |
| C3 | C4 | C5 | H82C | 52.5° | 52.5° |
| C3 | C4 | C5 | H83C | 68.9° | 68.9° |
| C3 | C4 | C6 | H71C | 175.7° | 175.7° |
| C3 | C4 | C6 | H72C | 64.0° | 64.0° |
| C3 | C4 | C6 | H73C | 56.7° | 56.7° |
| C4 | C3 | C7 | C8 | 179.6° | 179.6° |
| C4 | C3 | C7 | H1 | 0.9° | 0.9° |
| C4 | C3 | C11 | C12 | 179.4° | 179.4° |
| C4 | C3 | C11 | H5 | 0.4° | 0.4° |
| C4 | C3 | RU1 | N2 | 51.9° | 51.9° |
| C4 | C3 | RU1 | N1 | 162.1° | 162.1° |
| C4 | C3 | RU1 | C8 | 142.1° | 142.1° |
| C4 | C3 | RU1 | C12 | 145.4° | 145.4° |
| C7 | C3 | C11 | RU1 | 56.8° | 56.8° |
| C7 | C3 | C4 | C5 | 130.0° | 130.0° |
| C7 | C3 | C4 | C6 | 102.7° | 102.7° |
| C7 | C3 | C4 | H10 | 13.4° | 13.4° |
| C3 | C7 | C8 | H1 | 179.4° | 179.4° |
| C3 | C7 | C8 | C9 | 4.1° | 4.1° |
| C3 | C7 | C8 | H2 | 179.9° | 179.9° |
| C7 | C3 | C11 | C12 | 3.0° | 3.0° |
| C7 | C3 | C11 | H5 | 176.8° | 176.8° |
| C7 | C3 | RU1 | N2 | 166.6° | 166.6° |
| C7 | C3 | RU1 | N1 | 47.5° | 47.5° |
| C7 | C3 | RU1 | C8 | 27.4° | 27.4° |
| C7 | C3 | RU1 | C12 | 99.9° | 99.9° |
| C11 | C3 | C4 | C5 | 53.8° | 53.8° |
| C11 | C3 | C4 | C6 | 73.5° | 73.5° |
| C11 | C3 | C4 | H10 | 170.3° | 170.3° |
| C11 | C3 | C7 | C8 | 3.9° | 3.9° |
| C11 | C3 | C7 | H1 | 175.5° | 175.5° |
| C3 | C11 | C12 | C9 | 2.4° | 2.4° |
| C3 | C11 | C12 | H5 | 179.8° | 179.8° |
| C3 | C11 | C12 | H4 | 179.5° | 179.5° |
| C11 | C3 | RU1 | N2 | 65.1° | 65.1° |
| C11 | C3 | RU1 | N1 | 80.8° | 80.8° |
| C11 | C3 | RU1 | C8 | 100.9° | 100.9° |
| C11 | C3 | RU1 | C12 | 28.4° | 28.4° |
| C5 | C4 | C6 | H10 | 113.0° | 113.0° |
| C4 | C5 | H81C | H82C | 120.6° | 120.6° |
| C4 | C5 | H81C | H83C | 121.9° | 121.9° |
| C4 | C5 | H82C | H83C | 122.9° | 122.9° |
| C5 | C4 | C6 | H71C | 55.6° | 55.6° |
| C5 | C4 | C6 | H72C | 64.7° | 64.7° |
| C5 | C4 | C6 | H73C | 174.7° | 174.7° |
| C5 | C4 | C3 | RU1 | 38.9° | 38.9° |
| C6 | C4 | C5 | H81C | 61.6° | 61.6° |
| C6 | C4 | C5 | H82C | 179.7° | 179.7° |
| C6 | C4 | C5 | H83C | 58.3° | 58.3° |
| C4 | C6 | H71C | H72C | 122.0° | 122.0° |
| C4 | C6 | H71C | H73C | 120.4° | 120.4° |
| C4 | C6 | H72C | H73C | 121.6° | 121.6° |
| C6 | C4 | C3 | RU1 | 166.2° | 166.2° |
| H10 | C4 | C5 | H81C | 52.0° | 52.0° |
| H10 | C4 | C5 | H82C | 66.7° | 66.7° |
| H10 | C4 | C5 | H83C | 171.9° | 171.9° |
| H10 | C4 | C6 | H71C | 57.4° | 57.4° |
| H10 | C4 | C6 | H72C | 177.7° | 177.7° |
| H10 | C4 | C6 | H73C | 61.7° | 61.7° |
| H10 | C4 | C3 | RU1 | 77.7° | 77.7° |
| H81C | C5 | H82C | H83C | 117.0° | 117.0° |
| H71C | C6 | H72C | H73C | 117.0° | 117.0° |
| C7 | C8 | C9 | H2 | 175.7° | 175.7° |
| C7 | C8 | C9 | RU1 | 56.2° | 56.2° |
| C7 | C8 | H2 | RU1 | 90.7° | 90.7° |
| C7 | C8 | C9 | C10 | 175.8° | 175.8° |
| C7 | C8 | C9 | C12 | 3.3° | 3.3° |
| C7 | C8 | RU1 | N2 | 102.6° | 102.6° |
| C7 | C8 | RU1 | N1 | 155.8° | 155.8° |
| C7 | C8 | RU1 | C12 | 102.3° | 102.3° |
| H1 | C7 | C8 | C9 | 175.3° | 175.3° |
| H1 | C7 | C8 | H2 | 0.4° | 0.4° |
| H1 | C7 | C3 | RU1 | 127.7° | 127.7° |
| H1 | C7 | C8 | RU1 | 128.0° | 128.0° |
| C9 | C8 | H2 | RU1 | 93.5° | 93.5° |
| C8 | C9 | C10 | C12 | 179.1° | 179.1° |
| C8 | C9 | C10 | H91C | 107.6° | 107.6° |
| C8 | C9 | C10 | H92C | 132.7° | 132.7° |
| C8 | C9 | C10 | H93C | 12.6° | 12.6° |
| C8 | C9 | C12 | C11 | 2.4° | 2.4° |
| C8 | C9 | C12 | H4 | 179.5° | 179.5° |
| C9 | C8 | RU1 | N2 | 28.5° | 28.5° |
| C9 | C8 | RU1 | N1 | 73.1° | 73.1° |
| C9 | C8 | RU1 | C3 | 102.9° | 102.9° |
| C9 | C8 | RU1 | C12 | 28.7° | 28.7° |
| H2 | C8 | C9 | C10 | 0.1° | 0.1° |
| H2 | C8 | C9 | C12 | 179.0° | 179.0° |
| H2 | C8 | RU1 | N2 | 144.4° | 144.4° |
| H2 | C8 | RU1 | N1 | 42.7° | 42.7° |
| H2 | C8 | RU1 | C3 | 141.2° | 141.2° |
| H2 | C8 | RU1 | C12 | 144.6° | 144.6° |
| C9 | C10 | H91C | H92C | 121.0° | 121.0° |
| C9 | C10 | H91C | H93C | 122.8° | 122.8° |
| C9 | C10 | H92C | H93C | 123.0° | 123.0° |
| C10 | C9 | C12 | C11 | 176.7° | 176.7° |
| C10 | C9 | C12 | H4 | 1.4° | 1.4° |
| C10 | C9 | C8 | RU1 | 128.0° | 128.0° |
| C10 | C9 | C12 | RU1 | 128.2° | 128.2° |
| C12 | C9 | C10 | H91C | 71.5° | 71.5° |
| C12 | C9 | C10 | H92C | 48.2° | 48.2° |
| C12 | C9 | C10 | H93C | 168.3° | 168.3° |
| C9 | C12 | C11 | H4 | 178.1° | 178.1° |
| C9 | C12 | C11 | RU1 | 56.2° | 56.2° |
| C9 | C12 | C11 | H5 | 177.4° | 177.4° |
| C9 | C12 | H4 | RU1 | 93.1° | 93.1° |
| C9 | C12 | RU1 | N2 | 150.7° | 150.7° |
| C9 | C12 | RU1 | N1 | 67.1° | 67.1° |
| C9 | C12 | RU1 | C3 | 103.5° | 103.5° |
| H91C | C10 | H92C | H93C | 116.6° | 116.6° |
| C11 | C12 | H4 | RU1 | 88.8° | 88.8° |
| C11 | C12 | RU1 | N2 | 77.7° | 77.7° |
| C11 | C12 | RU1 | N1 | 161.3° | 161.3° |
| C11 | C12 | RU1 | C8 | 102.3° | 102.3° |
| H5 | C11 | C12 | H4 | 0.7° | 0.7° |
| H5 | C11 | C3 | RU1 | 126.4° | 126.4° |
| H5 | C11 | C12 | RU1 | 126.4° | 126.4° |
| H4 | C12 | RU1 | N2 | 34.7° | 34.7° |
| H4 | C12 | RU1 | N1 | 48.9° | 48.9° |
| H4 | C12 | RU1 | C3 | 140.5° | 140.5° |
| H4 | C12 | RU1 | C8 | 145.2° | 145.2° |
| C13 | N2 | HAI1 | HAI2 | 122.6° | 122.6° |
| C13 | N2 | HAI1 | RU1 | 114.4° | 114.4° |
| C13 | N2 | HAI2 | RU1 | 115.5° | 115.5° |
| N2 | C13 | C14 | HAH | 124.4° | 124.4° |
| N2 | C13 | C14 | N3 | 148.8° | 148.8° |
| N2 | C13 | C14 | HAG1 | 91.3° | 91.3° |
| N2 | C13 | C14 | HAG2 | 29.4° | 29.4° |
| C13 | N2 | RU1 | N1 | 11.3° | 11.3° |
| C13 | N2 | RU1 | C3 | 175.1° | 175.1° |
| C13 | N2 | RU1 | C8 | 115.4° | 115.4° |
| C13 | N2 | RU1 | C12 | 115.6° | 115.6° |
| HAI1 | N2 | HAI2 | RU1 | 122.2° | 122.2° |
| HAI1 | N2 | C13 | C14 | 40.3° | 40.3° |
| HAI1 | N2 | C13 | HAH | 165.5° | 165.5° |
| HAI1 | N2 | RU1 | N1 | 106.8° | 106.8° |
| HAI1 | N2 | RU1 | C3 | 66.8° | 66.8° |
| HAI1 | N2 | RU1 | C8 | 2.7° | 2.7° |
| HAI1 | N2 | RU1 | C12 | 2.5° | 2.5° |
| HAI2 | N2 | C13 | C14 | 82.1° | 82.1° |
| HAI2 | N2 | C13 | HAH | 43.2° | 43.2° |
| HAI2 | N2 | RU1 | N1 | 130.8° | 130.8° |
| HAI2 | N2 | RU1 | C3 | 55.7° | 55.7° |
| HAI2 | N2 | RU1 | C8 | 125.1° | 125.1° |
| HAI2 | N2 | RU1 | C12 | 124.9° | 124.9° |
| C13 | C14 | N3 | HAG1 | 118.8° | 118.8° |
| C13 | C14 | N3 | HAG2 | 119.0° | 119.0° |
| C13 | C14 | HAG1 | HAG2 | 121.7° | 121.7° |
| C13 | C14 | N3 | C15 | 170.2° | 170.2° |
| C14 | C13 | N2 | RU1 | 158.1° | 158.1° |
| HAH | C13 | C14 | N3 | 86.8° | 86.8° |
| HAH | C13 | C14 | HAG1 | 33.1° | 33.1° |
| HAH | C13 | C14 | HAG2 | 153.9° | 153.9° |
| HAH | C13 | N2 | RU1 | 76.6° | 76.6° |
| N3 | C14 | HAG1 | HAG2 | 123.3° | 123.3° |
| C14 | N3 | C15 | O1 | 52.1° | 52.1° |
| C14 | N3 | C15 | C16 | 129.0° | 129.0° |
| HAG1 | C14 | N3 | C15 | 51.4° | 51.4° |
| HAG2 | C14 | N3 | C15 | 70.8° | 70.8° |
| N3 | C15 | O1 | C16 | 179.0° | 179.0° |
| N3 | C15 | C16 | C17 | 161.3° | 161.3° |
| N3 | C15 | C16 | H401 | 76.4° | 76.4° |
| N3 | C15 | C16 | H402 | 40.2° | 40.2° |
| O1 | C15 | C16 | C17 | 19.8° | 19.8° |
| O1 | C15 | C16 | H401 | 102.5° | 102.5° |
| O1 | C15 | C16 | H402 | 140.9° | 140.9° |
| C15 | C16 | C17 | H401 | 122.0° | 122.0° |
| C15 | C16 | C17 | H402 | 121.4° | 121.4° |
| C15 | C16 | H401 | H402 | 116.8° | 116.8° |
| C15 | C16 | C17 | C18 | 178.9° | 178.9° |
| C15 | C16 | C17 | H451 | 59.8° | 59.8° |
| C15 | C16 | C17 | H452 | 58.1° | 58.1° |
| C17 | C16 | H401 | H402 | 116.5° | 116.5° |
| C16 | C17 | C18 | H451 | 121.1° | 121.1° |
| C16 | C17 | C18 | H452 | 121.5° | 121.5° |
| C16 | C17 | H451 | H452 | 118.9° | 118.9° |
| C16 | C17 | C18 | C19 | 174.2° | 174.2° |
| C16 | C17 | C18 | H461 | 64.8° | 64.8° |
| C16 | C17 | C18 | H462 | 52.6° | 52.6° |
| H401 | C16 | C17 | C18 | 56.9° | 56.9° |
| H401 | C16 | C17 | H451 | 178.2° | 178.2° |
| H401 | C16 | C17 | H452 | 63.9° | 63.9° |
| H402 | C16 | C17 | C18 | 59.7° | 59.7° |
| H402 | C16 | C17 | H451 | 61.6° | 61.6° |
| H402 | C16 | C17 | H452 | 179.5° | 179.5° |
| C18 | C17 | H451 | H452 | 117.6° | 117.6° |
| C17 | C18 | C19 | H461 | 120.8° | 120.8° |
| C17 | C18 | C19 | H462 | 121.6° | 121.6° |
| C17 | C18 | H461 | H462 | 118.0° | 118.0° |
| C17 | C18 | C19 | C20 | 179.7° | 179.7° |
| C17 | C18 | C19 | H471 | 57.5° | 57.5° |
| C17 | C18 | C19 | H472 | 60.1° | 60.1° |
| H451 | C17 | C18 | C19 | 53.0° | 53.0° |
| H451 | C17 | C18 | H461 | 174.0° | 174.0° |
| H451 | C17 | C18 | H462 | 68.5° | 68.5° |
| H452 | C17 | C18 | C19 | 64.3° | 64.3° |
| H452 | C17 | C18 | H461 | 56.7° | 56.7° |
| H452 | C17 | C18 | H462 | 174.1° | 174.1° |
| C19 | C18 | H461 | H462 | 118.2° | 118.2° |
| C18 | C19 | C20 | H471 | 122.2° | 122.2° |
| C18 | C19 | C20 | H472 | 120.2° | 120.2° |
| C18 | C19 | H471 | H472 | 117.8° | 117.8° |
| C18 | C19 | C20 | C21 | 167.2° | 167.2° |
| C18 | C19 | C20 | S1 | 73.7° | 73.7° |
| C18 | C19 | C20 | H48 | 45.9° | 45.9° |
| H461 | C18 | C19 | C20 | 59.5° | 59.5° |
| H461 | C18 | C19 | H471 | 178.3° | 178.3° |
| H461 | C18 | C19 | H472 | 60.7° | 60.7° |
| H462 | C18 | C19 | C20 | 58.1° | 58.1° |
| H462 | C18 | C19 | H471 | 64.1° | 64.1° |
| H462 | C18 | C19 | H472 | 178.4° | 178.4° |
| C20 | C19 | H471 | H472 | 117.9° | 117.9° |
| C19 | C20 | C21 | S1 | 125.0° | 125.0° |
| C19 | C20 | C21 | H48 | 122.5° | 122.5° |
| C19 | C20 | S1 | H48 | 120.9° | 120.9° |
| C19 | C20 | C21 | N4 | 38.6° | 38.6° |
| C19 | C20 | C21 | C23 | 153.0° | 153.0° |
| C19 | C20 | C21 | H49 | 83.6° | 83.6° |
| C19 | C20 | S1 | C22 | 159.9° | 159.9° |
| H471 | C19 | C20 | C21 | 70.6° | 70.6° |
| H471 | C19 | C20 | S1 | 48.5° | 48.5° |
| H471 | C19 | C20 | H48 | 168.0° | 168.0° |
| H472 | C19 | C20 | C21 | 47.0° | 47.0° |
| H472 | C19 | C20 | S1 | 166.1° | 166.1° |
| H472 | C19 | C20 | H48 | 74.3° | 74.3° |
| C21 | C20 | S1 | H48 | 112.7° | 112.7° |
| C20 | C21 | N4 | C23 | 120.4° | 120.4° |
| C20 | C21 | N4 | H49 | 122.9° | 122.9° |
| C20 | C21 | C23 | H49 | 122.7° | 122.7° |
| C20 | C21 | N4 | C24 | 124.5° | 124.5° |
| C20 | C21 | N4 | H53 | 56.2° | 56.2° |
| C21 | C20 | S1 | C22 | 33.4° | 33.4° |
| C20 | C21 | C23 | C22 | 8.3° | 8.3° |
| C20 | C21 | C23 | N5 | 127.7° | 127.7° |
| C20 | C21 | C23 | H50 | 116.0° | 116.0° |
| S1 | C20 | C21 | N4 | 86.4° | 86.4° |
| S1 | C20 | C21 | C23 | 28.0° | 28.0° |
| S1 | C20 | C21 | H49 | 151.4° | 151.4° |
| C20 | S1 | C22 | C23 | 29.1° | 29.1° |
| C20 | S1 | C22 | H511 | 88.4° | 88.4° |
| C20 | S1 | C22 | H512 | 151.2° | 151.2° |
| H48 | C20 | C21 | N4 | 161.1° | 161.1° |
| H48 | C20 | C21 | C23 | 84.6° | 84.6° |
| H48 | C20 | C21 | H49 | 38.9° | 38.9° |
| H48 | C20 | S1 | C22 | 79.2° | 79.2° |
| N4 | C21 | C23 | H49 | 114.6° | 114.6° |
| C21 | N4 | C24 | H53 | 179.3° | 179.3° |
| N4 | C21 | C23 | C22 | 114.3° | 114.3° |
| N4 | C21 | C23 | N5 | 5.0° | 5.0° |
| N4 | C21 | C23 | H50 | 121.3° | 121.3° |
| C21 | N4 | C24 | N5 | 1.3° | 1.3° |
| C21 | N4 | C24 | O2 | 178.2° | 178.2° |
| C23 | C21 | N4 | C24 | 4.1° | 4.1° |
| C23 | C21 | N4 | H53 | 176.7° | 176.7° |
| C21 | C23 | C22 | S1 | 15.7° | 15.7° |
| C21 | C23 | C22 | N5 | 112.9° | 112.9° |
| C21 | C23 | C22 | H50 | 124.7° | 124.7° |
| C21 | C23 | C22 | H511 | 100.7° | 100.7° |
| C21 | C23 | C22 | H512 | 136.2° | 136.2° |
| C21 | C23 | N5 | H50 | 117.6° | 117.6° |
| C21 | C23 | N5 | C24 | 4.9° | 4.9° |
| C21 | C23 | N5 | H55 | 174.7° | 174.7° |
| H49 | C21 | N4 | C24 | 112.6° | 112.6° |
| H49 | C21 | N4 | H53 | 66.7° | 66.7° |
| H49 | C21 | C23 | C22 | 131.0° | 131.0° |
| H49 | C21 | C23 | N5 | 109.6° | 109.6° |
| H49 | C21 | C23 | H50 | 6.7° | 6.7° |
| N4 | C24 | N5 | C23 | 2.7° | 2.7° |
| N4 | C24 | N5 | O2 | 179.5° | 179.5° |
| N4 | C24 | N5 | H55 | 176.9° | 176.9° |
| H53 | N4 | C24 | N5 | 179.4° | 179.4° |
| H53 | N4 | C24 | O2 | 1.1° | 1.1° |
| S1 | C22 | C23 | H511 | 116.4° | 116.4° |
| S1 | C22 | C23 | H512 | 120.5° | 120.5° |
| S1 | C22 | H511 | H512 | 121.1° | 121.1° |
| S1 | C22 | C23 | N5 | 97.2° | 97.2° |
| S1 | C22 | C23 | H50 | 140.4° | 140.4° |
| C23 | C22 | H511 | H512 | 125.2° | 125.2° |
| C22 | C23 | N5 | H50 | 122.9° | 122.9° |
| C22 | C23 | N5 | C24 | 114.6° | 114.6° |
| C22 | C23 | N5 | H55 | 65.8° | 65.8° |
| H511 | C22 | C23 | N5 | 146.4° | 146.4° |
| H511 | C22 | C23 | H50 | 24.1° | 24.1° |
| H512 | C22 | C23 | N5 | 23.3° | 23.3° |
| H512 | C22 | C23 | H50 | 99.0° | 99.0° |
| C23 | N5 | C24 | H55 | 179.6° | 179.6° |
| C23 | N5 | C24 | O2 | 177.8° | 177.8° |
| H50 | C23 | N5 | C24 | 122.5° | 122.5° |
| H50 | C23 | N5 | H55 | 57.1° | 57.1° |
| H55 | N5 | C24 | O2 | 2.6° | 2.6° |
| N2 | RU1 | N1 | C3 | 147.5° | 147.5° |
| N2 | RU1 | N1 | C8 | 166.3° | 166.3° |
| N2 | RU1 | N1 | C12 | 98.1° | 98.1° |
| N2 | RU1 | C3 | C8 | 166.0° | 166.0° |
| N2 | RU1 | C3 | C12 | 93.5° | 93.5° |
| N2 | RU1 | C8 | C12 | 0.2° | 0.2° |
| N1 | RU1 | C3 | C8 | 20.0° | 20.0° |
| N1 | RU1 | C3 | C12 | 52.5° | 52.5° |
| N1 | RU1 | C8 | C12 | 101.9° | 101.9° |
| C3 | RU1 | C8 | C12 | 74.2° | 74.2° |
