SRX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL | RU | sing | 2.46Å | 2.46Å | |
| C16 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| C16 | C15 | doub | 1.40Å | 1.40Å | Aromatic |
| C17 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | N4 | sing | 1.35Å | 1.35Å | Aromatic |
| C30 | C24 | sing | 1.53Å | 1.53Å | |
| N4 | C14 | doub | 1.37Å | 1.37Å | Aromatic |
| N4 | RU | sing | 1.96Å | 1.96Å | |
| C18 | C14 | sing | 1.41Å | 1.41Å | Aromatic |
| C29 | C19 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.40Å | 1.40Å | Aromatic |
| C11 | N3 | doub | 1.35Å | 1.35Å | Aromatic |
| C12 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C8 | sing | 1.51Å | 1.51Å | |
| RU | N3 | sing | 1.97Å | 1.97Å | |
| RU | C24 | sing | 2.24Å | 2.24Å | |
| RU | C19 | sing | 2.25Å | 2.25Å | |
| RU | C23 | sing | 2.24Å | 2.24Å | |
| RU | C20 | sing | 2.26Å | 2.26Å | |
| RU | C22 | sing | 2.25Å | 2.25Å | |
| RU | C21 | sing | 2.26Å | 2.26Å | |
| N3 | C9 | sing | 1.35Å | 1.35Å | Aromatic |
| C13 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C24 | C19 | sing | 1.34Å | 1.34Å | |
| C24 | C23 | sing | 1.34Å | 1.34Å | |
| C19 | C20 | sing | 1.36Å | 1.36Å | |
| C9 | C10 | doub | 1.40Å | 1.40Å | Aromatic |
| C9 | C8 | sing | 1.49Å | 1.49Å | |
| C25 | C23 | sing | 1.53Å | 1.53Å | |
| C23 | C22 | sing | 1.34Å | 1.34Å | |
| C8 | N2 | sing | 1.35Å | 1.35Å | |
| C20 | C28 | sing | 1.53Å | 1.53Å | |
| C20 | C21 | sing | 1.36Å | 1.36Å | |
| N2 | C7 | sing | 1.31Å | 1.31Å | |
| C22 | C21 | sing | 1.34Å | 1.34Å | |
| C22 | C26 | sing | 1.53Å | 1.53Å | |
| C21 | C27 | sing | 1.51Å | 1.51Å | |
| C7 | C4 | sing | 1.51Å | 1.51Å | |
| C7 | O3 | doub | 1.23Å | 1.23Å | |
| C3 | C4 | doub | 1.40Å | 1.40Å | Aromatic |
| C3 | C2 | sing | 1.41Å | 1.41Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | C1 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.40Å | 1.40Å | Aromatic |
| C1 | S | sing | 1.63Å | 1.63Å | |
| N1 | S | sing | 1.54Å | 1.54Å | |
| O2 | S | doub | 1.43Å | 1.43Å | |
| S | O1 | doub | 1.44Å | 1.44Å | |
| N1 | H1N1 | sing | 1.00Å | 1.00Å | |
| N1 | H2N1 | sing | 1.00Å | 1.00Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| N2 | HN2 | sing | 1.00Å | 1.00Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C25 | H125 | sing | 1.10Å | 1.10Å | |
| C25 | H225 | sing | 1.10Å | 1.10Å | |
| C25 | H325 | sing | 1.10Å | 1.10Å | |
| C26 | H126 | sing | 1.10Å | 1.10Å | |
| C26 | H226 | sing | 1.10Å | 1.10Å | |
| C26 | H326 | sing | 1.10Å | 1.10Å | |
| C27 | H127 | sing | 1.10Å | 1.10Å | |
| C27 | H227 | sing | 1.10Å | 1.10Å | |
| C27 | H327 | sing | 1.10Å | 1.10Å | |
| C28 | H128 | sing | 1.10Å | 1.10Å | |
| C28 | H228 | sing | 1.10Å | 1.10Å | |
| C28 | H328 | sing | 1.10Å | 1.10Å | |
| C29 | H129 | sing | 1.10Å | 1.10Å | |
| C29 | H229 | sing | 1.10Å | 1.10Å | |
| C29 | H329 | sing | 1.10Å | 1.10Å | |
| C30 | H130 | sing | 1.10Å | 1.10Å | |
| C30 | H230 | sing | 1.10Å | 1.10Å | |
| C30 | H330 | sing | 1.10Å | 1.10Å | |
| C8 | H8 | sing | 1.10Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | RU | N4 | 84.7° | 84.7° |
| CL | RU | N3 | 87.7° | 87.7° |
| CL | RU | C24 | 93.1° | 93.1° |
| CL | RU | C19 | 92.5° | 92.5° |
| CL | RU | C23 | 119.1° | 119.1° |
| CL | RU | C20 | 117.3° | 117.3° |
| CL | RU | C22 | 154.0° | 154.0° |
| CL | RU | C21 | 152.2° | 152.2° |
| C17 | C16 | C15 | 120.1° | 120.1° |
| C16 | C17 | C18 | 117.7° | 117.7° |
| C17 | C16 | H16 | 119.9° | 119.9° |
| C16 | C17 | H17 | 121.1° | 121.1° |
| C16 | C15 | N4 | 122.3° | 122.3° |
| C16 | C15 | H15 | 118.9° | 118.9° |
| C15 | C16 | H16 | 119.9° | 119.9° |
| C17 | C18 | C14 | 120.4° | 120.4° |
| C18 | C17 | H17 | 121.1° | 121.1° |
| C17 | C18 | H18 | 119.8° | 119.8° |
| C15 | N4 | C14 | 118.4° | 118.4° |
| C15 | N4 | RU | 120.2° | 120.2° |
| N4 | C15 | H15 | 118.9° | 118.9° |
| C30 | C24 | RU | 126.2° | 126.2° |
| C30 | C24 | C19 | 113.1° | 113.1° |
| C30 | C24 | C23 | 127.5° | 127.5° |
| C24 | C30 | H130 | 109.5° | 109.5° |
| C24 | C30 | H230 | 109.5° | 109.5° |
| C24 | C30 | H330 | 109.5° | 109.5° |
| C14 | N4 | RU | 121.4° | 121.4° |
| N4 | C14 | C18 | 121.1° | 121.1° |
| N4 | C14 | C8 | 121.6° | 121.6° |
| N4 | RU | N3 | 87.5° | 87.5° |
| N4 | RU | C24 | 118.3° | 118.3° |
| N4 | RU | C19 | 153.0° | 153.0° |
| N4 | RU | C23 | 95.8° | 95.8° |
| N4 | RU | C20 | 158.0° | 158.0° |
| N4 | RU | C22 | 97.5° | 97.5° |
| N4 | RU | C21 | 123.0° | 123.0° |
| C18 | C14 | C8 | 117.3° | 117.3° |
| C14 | C18 | H18 | 119.8° | 119.8° |
| C29 | C19 | RU | 125.5° | 125.5° |
| C29 | C19 | C24 | 119.4° | 119.4° |
| C29 | C19 | C20 | 120.6° | 120.6° |
| C19 | C29 | H129 | 109.5° | 109.5° |
| C19 | C29 | H229 | 109.4° | 109.4° |
| C19 | C29 | H329 | 109.5° | 109.5° |
| C12 | C11 | N3 | 122.4° | 122.4° |
| C11 | C12 | C13 | 119.7° | 119.7° |
| C12 | C11 | H11 | 118.8° | 118.8° |
| C11 | C12 | H12 | 120.1° | 120.1° |
| C11 | N3 | RU | 117.1° | 117.1° |
| C11 | N3 | C9 | 117.9° | 117.9° |
| N3 | C11 | H11 | 118.8° | 118.8° |
| C12 | C13 | C10 | 117.7° | 117.7° |
| C13 | C12 | H12 | 120.1° | 120.1° |
| C12 | C13 | H13 | 121.1° | 121.1° |
| C14 | C8 | C9 | 110.2° | 110.2° |
| C14 | C8 | N2 | 119.0° | 119.0° |
| C14 | C8 | H8 | 104.5° | 104.5° |
| N3 | RU | C24 | 154.2° | 154.2° |
| N3 | RU | C19 | 119.3° | 119.3° |
| N3 | RU | C23 | 153.2° | 153.2° |
| N3 | RU | C20 | 94.1° | 94.1° |
| N3 | RU | C22 | 118.3° | 118.3° |
| N3 | RU | C21 | 93.7° | 93.7° |
| RU | N3 | C9 | 125.0° | 125.0° |
| C24 | RU | C19 | 34.8° | 34.8° |
| C24 | RU | C23 | 34.9° | 34.9° |
| C24 | RU | C20 | 62.7° | 62.7° |
| C24 | RU | C22 | 62.9° | 62.9° |
| C24 | RU | C21 | 74.0° | 74.0° |
| RU | C24 | C19 | 73.2° | 73.2° |
| RU | C24 | C23 | 72.4° | 72.4° |
| C19 | RU | C23 | 62.2° | 62.2° |
| C19 | RU | C20 | 35.0° | 35.0° |
| C19 | RU | C22 | 73.8° | 73.8° |
| C19 | RU | C21 | 62.8° | 62.8° |
| RU | C19 | C24 | 72.0° | 72.0° |
| RU | C19 | C20 | 72.7° | 72.7° |
| C23 | RU | C20 | 73.2° | 73.2° |
| C23 | RU | C22 | 34.9° | 34.9° |
| C23 | RU | C21 | 62.2° | 62.2° |
| RU | C23 | C24 | 72.7° | 72.7° |
| RU | C23 | C25 | 126.5° | 126.5° |
| RU | C23 | C22 | 73.1° | 73.1° |
| C20 | RU | C22 | 62.5° | 62.5° |
| C20 | RU | C21 | 35.0° | 35.0° |
| RU | C20 | C19 | 72.3° | 72.3° |
| RU | C20 | C28 | 126.4° | 126.4° |
| RU | C20 | C21 | 72.6° | 72.6° |
| C22 | RU | C21 | 34.7° | 34.7° |
| RU | C22 | C23 | 72.1° | 72.1° |
| RU | C22 | C21 | 73.2° | 73.2° |
| RU | C22 | C26 | 128.0° | 128.0° |
| RU | C21 | C20 | 72.4° | 72.4° |
| RU | C21 | C22 | 72.1° | 72.1° |
| RU | C21 | C27 | 127.1° | 127.1° |
| N3 | C9 | C10 | 122.1° | 122.1° |
| N3 | C9 | C8 | 118.3° | 118.3° |
| C13 | C10 | C9 | 120.2° | 120.2° |
| C13 | C10 | H10 | 119.9° | 119.9° |
| C10 | C13 | H13 | 121.2° | 121.2° |
| C19 | C24 | C23 | 119.4° | 119.4° |
| C24 | C19 | C20 | 119.9° | 119.9° |
| C24 | C23 | C25 | 116.5° | 116.5° |
| C24 | C23 | C22 | 121.4° | 121.4° |
| C19 | C20 | C28 | 120.7° | 120.7° |
| C19 | C20 | C21 | 120.0° | 120.0° |
| C10 | C9 | C8 | 119.6° | 119.6° |
| C9 | C10 | H10 | 119.9° | 119.9° |
| C9 | C8 | N2 | 116.1° | 116.1° |
| C9 | C8 | H8 | 108.4° | 108.4° |
| C25 | C23 | C22 | 122.1° | 122.1° |
| C23 | C25 | H125 | 109.5° | 109.5° |
| C23 | C25 | H225 | 109.5° | 109.5° |
| C23 | C25 | H325 | 109.5° | 109.5° |
| C23 | C22 | C21 | 119.5° | 119.5° |
| C23 | C22 | C26 | 118.3° | 118.3° |
| C8 | N2 | C7 | 126.6° | 126.6° |
| C8 | N2 | HN2 | 116.7° | 116.7° |
| N2 | C8 | H8 | 96.3° | 96.3° |
| C28 | C20 | C21 | 119.3° | 119.3° |
| C20 | C28 | H128 | 109.5° | 109.5° |
| C20 | C28 | H228 | 109.5° | 109.5° |
| C20 | C28 | H328 | 109.5° | 109.5° |
| C20 | C21 | C22 | 119.7° | 119.7° |
| C20 | C21 | C27 | 123.2° | 123.2° |
| N2 | C7 | C4 | 118.1° | 118.1° |
| N2 | C7 | O3 | 122.0° | 122.0° |
| C7 | N2 | HN2 | 116.7° | 116.7° |
| C21 | C22 | C26 | 122.2° | 122.2° |
| C22 | C21 | C27 | 117.1° | 117.1° |
| C22 | C26 | H126 | 109.5° | 109.5° |
| C22 | C26 | H226 | 109.5° | 109.5° |
| C22 | C26 | H326 | 109.5° | 109.5° |
| C21 | C27 | H127 | 109.5° | 109.5° |
| C21 | C27 | H227 | 109.5° | 109.5° |
| C21 | C27 | H327 | 109.4° | 109.4° |
| C4 | C7 | O3 | 119.6° | 119.6° |
| C7 | C4 | C3 | 123.5° | 123.5° |
| C7 | C4 | C5 | 117.6° | 117.6° |
| C4 | C3 | C2 | 118.8° | 118.8° |
| C3 | C4 | C5 | 118.8° | 118.8° |
| C4 | C3 | H3 | 120.6° | 120.6° |
| C3 | C2 | C1 | 123.6° | 123.6° |
| C3 | C2 | H2 | 118.2° | 118.2° |
| C2 | C3 | H3 | 120.6° | 120.6° |
| C4 | C5 | C6 | 120.5° | 120.5° |
| C4 | C5 | H5 | 119.8° | 119.8° |
| C2 | C1 | C6 | 115.3° | 115.3° |
| C2 | C1 | S | 124.6° | 124.6° |
| C1 | C2 | H2 | 118.2° | 118.2° |
| C5 | C6 | C1 | 123.0° | 123.0° |
| C6 | C5 | H5 | 119.8° | 119.8° |
| C5 | C6 | H6 | 118.5° | 118.5° |
| C6 | C1 | S | 119.5° | 119.5° |
| C1 | C6 | H6 | 118.5° | 118.5° |
| C1 | S | N1 | 109.0° | 109.0° |
| C1 | S | O2 | 104.5° | 104.5° |
| C1 | S | O1 | 106.1° | 106.1° |
| N1 | S | O2 | 111.5° | 111.5° |
| N1 | S | O1 | 110.6° | 110.6° |
| S | N1 | H1N1 | 109.5° | 109.5° |
| S | N1 | H2N1 | 109.5° | 109.5° |
| O2 | S | O1 | 114.7° | 114.7° |
| H1N1 | N1 | H2N1 | 109.4° | 109.4° |
| H125 | C25 | H225 | 109.4° | 109.4° |
| H125 | C25 | H325 | 109.5° | 109.5° |
| H225 | C25 | H325 | 109.5° | 109.5° |
| H126 | C26 | H226 | 109.4° | 109.4° |
| H126 | C26 | H326 | 109.5° | 109.5° |
| H226 | C26 | H326 | 109.5° | 109.5° |
| H127 | C27 | H227 | 109.4° | 109.4° |
| H127 | C27 | H327 | 109.5° | 109.5° |
| H227 | C27 | H327 | 109.5° | 109.4° |
| H128 | C28 | H228 | 109.5° | 109.5° |
| H128 | C28 | H328 | 109.5° | 109.5° |
| H228 | C28 | H328 | 109.5° | 109.5° |
| H129 | C29 | H229 | 109.5° | 109.5° |
| H129 | C29 | H329 | 109.5° | 109.5° |
| H229 | C29 | H329 | 109.5° | 109.5° |
| H130 | C30 | H230 | 109.5° | 109.5° |
| H130 | C30 | H330 | 109.4° | 109.4° |
| H230 | C30 | H330 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | RU | N4 | C15 | 52.5° | 52.5° |
| CL | RU | C24 | C30 | 16.8° | 16.8° |
| CL | RU | N4 | C14 | 124.9° | 124.9° |
| CL | RU | N4 | N3 | 87.9° | 87.9° |
| CL | RU | N4 | C24 | 90.6° | 90.6° |
| CL | RU | N4 | C19 | 85.0° | 85.0° |
| CL | RU | N4 | C23 | 118.8° | 118.8° |
| CL | RU | N4 | C20 | 177.3° | 177.3° |
| CL | RU | N4 | C22 | 153.9° | 153.9° |
| CL | RU | N4 | C21 | 179.3° | 179.3° |
| CL | RU | C19 | C29 | 21.9° | 21.9° |
| CL | RU | N3 | C11 | 54.7° | 54.7° |
| CL | RU | N3 | C24 | 92.3° | 92.3° |
| CL | RU | N3 | C19 | 91.5° | 91.5° |
| CL | RU | N3 | C23 | 177.3° | 177.3° |
| CL | RU | N3 | C20 | 117.2° | 117.2° |
| CL | RU | N3 | C22 | 178.0° | 178.0° |
| CL | RU | N3 | C21 | 152.2° | 152.2° |
| CL | RU | C24 | C19 | 89.9° | 89.9° |
| CL | RU | C24 | C23 | 140.8° | 140.8° |
| CL | RU | C24 | C20 | 119.3° | 119.3° |
| CL | RU | C24 | C22 | 169.4° | 169.4° |
| CL | RU | C24 | C21 | 155.0° | 155.0° |
| CL | RU | C19 | C23 | 121.9° | 121.9° |
| CL | RU | C19 | C20 | 137.6° | 137.6° |
| CL | RU | C19 | C22 | 157.5° | 157.5° |
| CL | RU | C19 | C21 | 166.9° | 166.9° |
| CL | RU | C23 | C20 | 112.3° | 112.3° |
| CL | RU | C23 | C22 | 178.0° | 178.0° |
| CL | RU | C23 | C21 | 148.4° | 148.4° |
| CL | RU | C20 | C22 | 150.6° | 150.6° |
| CL | RU | C20 | C21 | 179.9° | 179.9° |
| CL | RU | C22 | C21 | 125.8° | 125.8° |
| CL | RU | N3 | C9 | 123.5° | 123.5° |
| CL | RU | C23 | C25 | 64.2° | 64.2° |
| CL | RU | C20 | C28 | 66.2° | 66.2° |
| CL | RU | C22 | C26 | 116.2° | 116.2° |
| CL | RU | C21 | C27 | 119.0° | 119.0° |
| C17 | C16 | C15 | H16 | 180.0° | 180.0° |
| C16 | C17 | C18 | H17 | 180.0° | 180.0° |
| C17 | C16 | C15 | N4 | 1.3° | 1.3° |
| C16 | C17 | C18 | C14 | 0.2° | 0.2° |
| C17 | C16 | C15 | H15 | 178.7° | 178.7° |
| C16 | C17 | C18 | H18 | 179.8° | 179.8° |
| C15 | C16 | C17 | C18 | 0.7° | 0.7° |
| C16 | C15 | N4 | H15 | 180.0° | 180.0° |
| C16 | C15 | N4 | C14 | 0.9° | 0.9° |
| C16 | C15 | N4 | RU | 178.4° | 178.4° |
| C15 | C16 | C17 | H17 | 179.3° | 179.3° |
| C17 | C18 | C14 | N4 | 0.5° | 0.5° |
| C17 | C18 | C14 | H18 | 180.0° | 180.0° |
| C17 | C18 | C14 | C8 | 178.6° | 178.6° |
| C18 | C17 | C16 | H16 | 179.3° | 179.3° |
| C15 | N4 | C14 | RU | 177.4° | 177.4° |
| C15 | N4 | C14 | C18 | 0.0° | 0.0° |
| C15 | N4 | C14 | C8 | 177.9° | 177.9° |
| C15 | N4 | RU | N3 | 140.4° | 140.4° |
| C15 | N4 | RU | C24 | 38.2° | 38.2° |
| C15 | N4 | RU | C19 | 32.6° | 32.6° |
| C15 | N4 | RU | C23 | 66.3° | 66.3° |
| C15 | N4 | RU | C20 | 124.8° | 124.8° |
| C15 | N4 | RU | C22 | 101.4° | 101.4° |
| C15 | N4 | RU | C21 | 126.8° | 126.8° |
| N4 | C15 | C16 | H16 | 178.7° | 178.7° |
| C30 | C24 | RU | N4 | 68.9° | 68.9° |
| C30 | C24 | C19 | C29 | 1.7° | 1.7° |
| C30 | C24 | RU | N3 | 107.8° | 107.8° |
| C30 | C24 | RU | C19 | 106.6° | 106.6° |
| C30 | C24 | RU | C23 | 124.0° | 124.0° |
| C30 | C24 | RU | C20 | 136.0° | 136.0° |
| C30 | C24 | RU | C22 | 152.7° | 152.7° |
| C30 | C24 | RU | C21 | 171.8° | 171.8° |
| C30 | C24 | C19 | C23 | 179.3° | 179.3° |
| C30 | C24 | C19 | C20 | 179.6° | 179.6° |
| C30 | C24 | C23 | C25 | 0.1° | 0.1° |
| C30 | C24 | C23 | C22 | 179.3° | 179.3° |
| C24 | C30 | H130 | H230 | 120.0° | 120.0° |
| C24 | C30 | H130 | H330 | 120.0° | 120.0° |
| C24 | C30 | H230 | H330 | 120.0° | 120.0° |
| N4 | C14 | C18 | C8 | 178.1° | 178.1° |
| C14 | N4 | RU | N3 | 37.0° | 37.0° |
| C14 | N4 | RU | C24 | 144.4° | 144.4° |
| C14 | N4 | RU | C19 | 150.0° | 150.0° |
| C14 | N4 | RU | C23 | 116.3° | 116.3° |
| C14 | N4 | RU | C20 | 57.8° | 57.8° |
| C14 | N4 | RU | C22 | 81.2° | 81.2° |
| C14 | N4 | RU | C21 | 55.8° | 55.8° |
| N4 | C14 | C8 | C9 | 51.9° | 51.9° |
| N4 | C14 | C8 | N2 | 170.3° | 170.3° |
| C14 | N4 | C15 | H15 | 179.1° | 179.1° |
| N4 | C14 | C18 | H18 | 179.5° | 179.5° |
| N4 | C14 | C8 | H8 | 64.5° | 64.4° |
| RU | N4 | C14 | C18 | 177.5° | 177.5° |
| N4 | RU | C19 | C29 | 105.1° | 105.1° |
| N4 | RU | N3 | C11 | 139.5° | 139.5° |
| RU | N4 | C14 | C8 | 0.5° | 0.5° |
| N4 | RU | N3 | C24 | 177.1° | 177.1° |
| N4 | RU | N3 | C19 | 176.3° | 176.3° |
| N4 | RU | N3 | C23 | 97.9° | 97.9° |
| N4 | RU | N3 | C20 | 158.0° | 158.0° |
| N4 | RU | N3 | C22 | 97.2° | 97.2° |
| N4 | RU | N3 | C21 | 123.0° | 123.0° |
| N4 | RU | C24 | C19 | 175.5° | 175.5° |
| N4 | RU | C24 | C23 | 55.1° | 55.1° |
| N4 | RU | C24 | C20 | 155.1° | 155.1° |
| N4 | RU | C24 | C22 | 83.8° | 83.8° |
| N4 | RU | C24 | C21 | 119.3° | 119.3° |
| N4 | RU | C19 | C23 | 38.7° | 38.7° |
| N4 | RU | C19 | C20 | 139.2° | 139.2° |
| N4 | RU | C19 | C22 | 74.3° | 74.3° |
| N4 | RU | C19 | C21 | 109.9° | 109.9° |
| N4 | RU | C23 | C20 | 160.5° | 160.5° |
| N4 | RU | C23 | C22 | 94.8° | 94.8° |
| N4 | RU | C23 | C21 | 124.5° | 124.5° |
| N4 | RU | C20 | C22 | 26.4° | 26.4° |
| N4 | RU | C20 | C21 | 2.9° | 2.9° |
| N4 | RU | C22 | C21 | 140.8° | 140.8° |
| N4 | RU | N3 | C9 | 38.7° | 38.7° |
| N4 | RU | C23 | C25 | 23.0° | 23.0° |
| N4 | RU | C20 | C28 | 116.9° | 116.9° |
| N4 | RU | C22 | C26 | 22.9° | 22.9° |
| N4 | RU | C21 | C27 | 62.6° | 62.6° |
| RU | N4 | C15 | H15 | 1.6° | 1.6° |
| C18 | C14 | C8 | C9 | 126.2° | 126.2° |
| C18 | C14 | C8 | N2 | 11.6° | 11.6° |
| C14 | C18 | C17 | H17 | 179.8° | 179.8° |
| C18 | C14 | C8 | H8 | 117.5° | 117.5° |
| C29 | C19 | RU | N3 | 66.8° | 66.8° |
| C29 | C19 | C24 | RU | 121.2° | 121.2° |
| C29 | C19 | RU | C20 | 115.7° | 115.7° |
| C29 | C19 | RU | C23 | 143.7° | 143.7° |
| C29 | C19 | RU | C22 | 179.4° | 179.4° |
| C29 | C19 | RU | C21 | 145.0° | 145.0° |
| C29 | C19 | C24 | C20 | 177.9° | 177.9° |
| C29 | C19 | C24 | C23 | 179.0° | 179.0° |
| C29 | C19 | C20 | C28 | 0.8° | 0.8° |
| C29 | C19 | C20 | C21 | 178.4° | 178.4° |
| C19 | C29 | H129 | H229 | 120.0° | 120.0° |
| C19 | C29 | H129 | H329 | 120.0° | 120.0° |
| C19 | C29 | H229 | H329 | 120.0° | 120.0° |
| C12 | C11 | N3 | H11 | 180.0° | 180.0° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C12 | C11 | N3 | RU | 179.9° | 179.9° |
| C12 | C11 | N3 | C9 | 1.6° | 1.6° |
| C11 | C12 | C13 | C10 | 0.7° | 0.7° |
| C11 | C12 | C13 | H13 | 179.3° | 179.3° |
| N3 | C11 | C12 | C13 | 1.6° | 1.6° |
| C11 | N3 | RU | C9 | 178.2° | 178.2° |
| C11 | N3 | RU | C24 | 37.6° | 37.6° |
| C11 | N3 | RU | C19 | 36.8° | 36.8° |
| C11 | N3 | RU | C23 | 122.6° | 122.6° |
| C11 | N3 | RU | C20 | 62.5° | 62.5° |
| C11 | N3 | RU | C22 | 123.3° | 123.3° |
| C11 | N3 | RU | C21 | 97.6° | 97.6° |
| C11 | N3 | C9 | C10 | 0.8° | 0.8° |
| C11 | N3 | C9 | C8 | 178.0° | 178.0° |
| N3 | C11 | C12 | H12 | 178.4° | 178.4° |
| C12 | C13 | C10 | H13 | 180.0° | 180.0° |
| C12 | C13 | C10 | C9 | 0.0° | 0.0° |
| C12 | C13 | C10 | H10 | 180.0° | 180.0° |
| C13 | C12 | C11 | H11 | 178.4° | 178.4° |
| C14 | C8 | C9 | N3 | 50.5° | 50.5° |
| C14 | C8 | C9 | C10 | 128.3° | 128.3° |
| C14 | C8 | C9 | N2 | 139.2° | 139.2° |
| C14 | C8 | C9 | H8 | 113.8° | 113.8° |
| C14 | C8 | N2 | H8 | 110.4° | 110.5° |
| C14 | C8 | N2 | C7 | 101.0° | 101.0° |
| C14 | C8 | N2 | HN2 | 79.1° | 79.1° |
| C8 | C14 | C18 | H18 | 1.4° | 1.4° |
| N3 | RU | C24 | C19 | 1.1° | 1.1° |
| N3 | RU | C24 | C23 | 128.2° | 128.2° |
| N3 | RU | C24 | C20 | 28.2° | 28.2° |
| N3 | RU | C24 | C22 | 99.6° | 99.6° |
| N3 | RU | C24 | C21 | 64.0° | 64.0° |
| N3 | RU | C19 | C23 | 149.4° | 149.4° |
| N3 | RU | C19 | C20 | 48.9° | 48.9° |
| N3 | RU | C19 | C22 | 113.8° | 113.8° |
| N3 | RU | C19 | C21 | 78.2° | 78.2° |
| N3 | RU | C23 | C20 | 64.6° | 64.6° |
| N3 | RU | C23 | C22 | 1.1° | 1.1° |
| N3 | RU | C23 | C21 | 28.5° | 28.5° |
| N3 | RU | C20 | C22 | 119.9° | 119.9° |
| N3 | RU | C20 | C21 | 90.6° | 90.6° |
| N3 | RU | C22 | C21 | 49.7° | 49.7° |
| RU | N3 | C9 | C10 | 179.0° | 179.0° |
| RU | N3 | C9 | C8 | 0.2° | 0.2° |
| N3 | RU | C23 | C25 | 118.9° | 118.9° |
| N3 | RU | C20 | C28 | 23.3° | 23.3° |
| N3 | RU | C22 | C26 | 68.3° | 68.3° |
| N3 | RU | C21 | C27 | 26.9° | 26.9° |
| RU | N3 | C11 | H11 | 0.1° | 0.1° |
| C24 | RU | C19 | C23 | 30.0° | 30.0° |
| C24 | RU | C19 | C20 | 130.6° | 130.6° |
| C24 | RU | C19 | C22 | 65.7° | 65.7° |
| C24 | RU | C19 | C21 | 101.3° | 101.3° |
| C24 | RU | C23 | C20 | 66.0° | 66.0° |
| C24 | RU | C23 | C22 | 131.7° | 131.7° |
| C24 | RU | C23 | C21 | 102.1° | 102.1° |
| C24 | RU | C20 | C22 | 72.1° | 72.1° |
| C24 | RU | C20 | C21 | 101.3° | 101.3° |
| C24 | RU | C22 | C21 | 101.1° | 101.1° |
| C24 | RU | N3 | C9 | 144.2° | 144.2° |
| RU | C24 | C23 | C25 | 122.7° | 122.7° |
| C24 | RU | C20 | C28 | 144.7° | 144.7° |
| C24 | RU | C22 | C26 | 140.9° | 140.9° |
| C24 | RU | C21 | C27 | 176.2° | 176.2° |
| RU | C24 | C30 | H130 | 180.0° | 180.0° |
| RU | C24 | C30 | H230 | 60.0° | 60.0° |
| RU | C24 | C30 | H330 | 60.0° | 60.0° |
| C19 | RU | C23 | C20 | 36.1° | 36.1° |
| C19 | RU | C23 | C22 | 101.8° | 101.8° |
| C19 | RU | C23 | C21 | 72.1° | 72.1° |
| C19 | RU | C20 | C22 | 101.3° | 101.3° |
| C19 | RU | C20 | C21 | 130.6° | 130.6° |
| C19 | RU | C22 | C21 | 65.4° | 65.4° |
| C19 | RU | N3 | C9 | 145.0° | 145.0° |
| C19 | RU | C23 | C25 | 140.4° | 140.4° |
| C19 | RU | C20 | C28 | 115.5° | 115.5° |
| C19 | RU | C22 | C26 | 176.6° | 176.6° |
| C19 | RU | C21 | C27 | 148.1° | 148.1° |
| RU | C19 | C29 | H129 | 180.0° | 180.0° |
| RU | C19 | C29 | H229 | 60.0° | 60.0° |
| RU | C19 | C29 | H329 | 60.0° | 60.0° |
| C23 | RU | C20 | C22 | 36.0° | 36.0° |
| C23 | RU | C20 | C21 | 65.3° | 65.3° |
| C23 | RU | C22 | C21 | 129.8° | 129.8° |
| C23 | RU | N3 | C9 | 59.2° | 59.2° |
| RU | C23 | C25 | C22 | 92.1° | 92.1° |
| C23 | RU | C20 | C28 | 179.2° | 179.2° |
| C23 | RU | C22 | C26 | 112.2° | 112.2° |
| C23 | RU | C21 | C27 | 140.7° | 140.7° |
| RU | C23 | C25 | H125 | 180.0° | 180.0° |
| RU | C23 | C25 | H225 | 60.0° | 60.0° |
| RU | C23 | C25 | H325 | 60.0° | 60.0° |
| C20 | RU | C22 | C21 | 29.5° | 29.5° |
| C20 | RU | N3 | C9 | 119.3° | 119.3° |
| C20 | RU | C23 | C25 | 176.5° | 176.5° |
| RU | C20 | C28 | C21 | 89.3° | 89.3° |
| C20 | RU | C22 | C26 | 147.5° | 147.5° |
| C20 | RU | C21 | C27 | 118.7° | 118.7° |
| RU | C20 | C28 | H128 | 180.0° | 180.0° |
| RU | C20 | C28 | H228 | 60.0° | 60.0° |
| RU | C20 | C28 | H328 | 60.0° | 60.0° |
| C22 | RU | N3 | C9 | 58.5° | 58.5° |
| C22 | RU | C20 | C28 | 143.2° | 143.2° |
| RU | C22 | C21 | C26 | 124.8° | 124.8° |
| C22 | RU | C21 | C27 | 110.9° | 110.9° |
| RU | C22 | C26 | H126 | 180.0° | 180.0° |
| RU | C22 | C26 | H226 | 60.0° | 60.0° |
| RU | C22 | C26 | H326 | 60.0° | 60.0° |
| C21 | RU | N3 | C9 | 84.3° | 84.3° |
| C21 | RU | C23 | C25 | 147.5° | 147.5° |
| RU | C21 | C27 | H127 | 180.0° | 180.0° |
| RU | C21 | C27 | H227 | 60.0° | 60.0° |
| RU | C21 | C27 | H327 | 60.0° | 60.0° |
| N3 | C9 | C10 | C13 | 0.0° | 0.0° |
| N3 | C9 | C10 | C8 | 178.8° | 178.8° |
| N3 | C9 | C8 | N2 | 170.3° | 170.3° |
| N3 | C9 | C10 | H10 | 180.0° | 180.0° |
| C9 | N3 | C11 | H11 | 178.4° | 178.4° |
| N3 | C9 | C8 | H8 | 63.3° | 63.3° |
| C13 | C10 | C9 | H10 | 180.0° | 180.0° |
| C13 | C10 | C9 | C8 | 178.8° | 178.8° |
| C10 | C13 | C12 | H12 | 179.3° | 179.3° |
| C19 | C24 | C23 | C25 | 179.1° | 179.1° |
| C19 | C24 | C23 | C22 | 1.5° | 1.5° |
| C24 | C19 | C20 | C28 | 178.7° | 178.7° |
| C24 | C19 | C20 | C21 | 0.4° | 0.4° |
| C24 | C19 | C29 | H129 | 92.0° | 92.0° |
| C24 | C19 | C29 | H229 | 148.1° | 148.1° |
| C24 | C19 | C29 | H329 | 28.1° | 28.1° |
| C19 | C24 | C30 | H130 | 94.4° | 94.4° |
| C19 | C24 | C30 | H230 | 25.6° | 25.6° |
| C19 | C24 | C30 | H330 | 145.6° | 145.6° |
| C23 | C24 | C19 | C20 | 1.1° | 1.1° |
| C24 | C23 | C25 | C22 | 179.5° | 179.5° |
| C24 | C23 | C22 | C21 | 1.2° | 1.2° |
| C24 | C23 | C22 | C26 | 179.3° | 179.3° |
| C24 | C23 | C25 | H125 | 92.6° | 92.6° |
| C24 | C23 | C25 | H225 | 27.3° | 27.3° |
| C24 | C23 | C25 | H325 | 147.4° | 147.4° |
| C23 | C24 | C30 | H130 | 84.8° | 84.8° |
| C23 | C24 | C30 | H230 | 155.2° | 155.2° |
| C23 | C24 | C30 | H330 | 35.2° | 35.2° |
| C19 | C20 | C28 | C21 | 179.2° | 179.2° |
| C19 | C20 | C21 | C22 | 0.1° | 0.1° |
| C19 | C20 | C21 | C27 | 180.0° | 180.0° |
| C19 | C20 | C28 | H128 | 90.1° | 90.1° |
| C19 | C20 | C28 | H228 | 149.9° | 149.9° |
| C19 | C20 | C28 | H328 | 29.9° | 29.9° |
| C20 | C19 | C29 | H129 | 90.1° | 90.1° |
| C20 | C19 | C29 | H229 | 29.9° | 29.9° |
| C20 | C19 | C29 | H329 | 149.9° | 149.9° |
| C10 | C9 | C8 | N2 | 10.9° | 10.9° |
| C9 | C10 | C13 | H13 | 180.0° | 180.0° |
| C10 | C9 | C8 | H8 | 117.9° | 117.9° |
| C9 | C8 | N2 | H8 | 114.1° | 114.1° |
| C9 | C8 | N2 | C7 | 123.6° | 123.6° |
| C9 | C8 | N2 | HN2 | 56.4° | 56.4° |
| C8 | C9 | C10 | H10 | 1.2° | 1.2° |
| C25 | C23 | C22 | C21 | 179.4° | 179.4° |
| C25 | C23 | C22 | C26 | 1.3° | 1.3° |
| C23 | C25 | H125 | H225 | 120.0° | 120.0° |
| C23 | C25 | H125 | H325 | 120.0° | 120.0° |
| C23 | C25 | H225 | H325 | 120.0° | 120.0° |
| C23 | C22 | C21 | C20 | 0.5° | 0.5° |
| C23 | C22 | C21 | C26 | 178.0° | 178.0° |
| C23 | C22 | C21 | C27 | 179.6° | 179.6° |
| C22 | C23 | C25 | H125 | 87.9° | 87.9° |
| C22 | C23 | C25 | H225 | 152.1° | 152.1° |
| C22 | C23 | C25 | H325 | 32.1° | 32.1° |
| C23 | C22 | C26 | H126 | 91.4° | 91.4° |
| C23 | C22 | C26 | H226 | 28.6° | 28.6° |
| C23 | C22 | C26 | H326 | 148.6° | 148.6° |
| C8 | N2 | C7 | HN2 | 180.0° | 180.0° |
| C8 | N2 | C7 | C4 | 176.4° | 176.4° |
| C8 | N2 | C7 | O3 | 2.7° | 2.7° |
| C28 | C20 | C21 | C22 | 179.0° | 179.0° |
| C28 | C20 | C21 | C27 | 0.9° | 0.9° |
| C20 | C28 | H128 | H228 | 120.0° | 120.0° |
| C20 | C28 | H128 | H328 | 120.0° | 120.0° |
| C20 | C28 | H228 | H328 | 120.0° | 120.0° |
| C20 | C21 | C22 | C27 | 179.9° | 179.9° |
| C20 | C21 | C22 | C26 | 178.6° | 178.6° |
| C20 | C21 | C27 | H127 | 87.6° | 87.6° |
| C20 | C21 | C27 | H227 | 152.5° | 152.5° |
| C20 | C21 | C27 | H327 | 32.5° | 32.5° |
| C21 | C20 | C28 | H128 | 90.7° | 90.7° |
| C21 | C20 | C28 | H228 | 29.3° | 29.3° |
| C21 | C20 | C28 | H328 | 149.3° | 149.3° |
| N2 | C7 | C4 | O3 | 173.9° | 173.9° |
| N2 | C7 | C4 | C3 | 43.3° | 43.3° |
| N2 | C7 | C4 | C5 | 139.0° | 139.0° |
| C7 | N2 | C8 | H8 | 9.5° | 9.5° |
| C21 | C22 | C26 | H126 | 86.7° | 86.7° |
| C21 | C22 | C26 | H226 | 153.3° | 153.3° |
| C21 | C22 | C26 | H326 | 33.3° | 33.3° |
| C22 | C21 | C27 | H127 | 92.6° | 92.6° |
| C22 | C21 | C27 | H227 | 27.4° | 27.4° |
| C22 | C21 | C27 | H327 | 147.4° | 147.4° |
| C26 | C22 | C21 | C27 | 1.6° | 1.6° |
| C22 | C26 | H126 | H226 | 120.0° | 120.0° |
| C22 | C26 | H126 | H326 | 120.0° | 120.0° |
| C22 | C26 | H226 | H326 | 120.0° | 120.0° |
| C21 | C27 | H127 | H227 | 120.0° | 120.0° |
| C21 | C27 | H127 | H327 | 120.0° | 120.0° |
| C21 | C27 | H227 | H327 | 120.0° | 120.0° |
| C7 | C4 | C3 | C5 | 177.7° | 177.7° |
| C7 | C4 | C3 | C2 | 177.5° | 177.5° |
| C7 | C4 | C5 | C6 | 178.3° | 178.3° |
| C4 | C7 | N2 | HN2 | 3.6° | 3.6° |
| C7 | C4 | C3 | H3 | 2.5° | 2.5° |
| C7 | C4 | C5 | H5 | 1.7° | 1.7° |
| O3 | C7 | C4 | C3 | 130.5° | 130.5° |
| O3 | C7 | C4 | C5 | 47.2° | 47.2° |
| O3 | C7 | N2 | HN2 | 177.3° | 177.3° |
| C4 | C3 | C2 | H3 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 1.9° | 1.9° |
| C3 | C4 | C5 | C6 | 0.5° | 0.5° |
| C4 | C3 | C2 | H2 | 178.1° | 178.1° |
| C3 | C4 | C5 | H5 | 179.5° | 179.5° |
| C2 | C3 | C4 | C5 | 0.2° | 0.2° |
| C3 | C2 | C1 | H2 | 180.0° | 180.0° |
| C3 | C2 | C1 | C6 | 2.6° | 2.6° |
| C3 | C2 | C1 | S | 173.0° | 173.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C1 | 0.3° | 0.3° |
| C5 | C4 | C3 | H3 | 179.8° | 179.8° |
| C4 | C5 | C6 | H6 | 179.7° | 179.7° |
| C2 | C1 | C6 | C5 | 1.8° | 1.8° |
| C2 | C1 | C6 | S | 170.9° | 170.9° |
| C2 | C1 | S | N1 | 31.7° | 31.7° |
| C2 | C1 | S | O2 | 150.9° | 150.9° |
| C2 | C1 | S | O1 | 87.5° | 87.5° |
| C1 | C2 | C3 | H3 | 178.1° | 178.1° |
| C2 | C1 | C6 | H6 | 178.2° | 178.2° |
| C5 | C6 | C1 | H6 | 180.0° | 180.0° |
| C5 | C6 | C1 | S | 172.8° | 172.8° |
| C6 | C1 | S | N1 | 158.3° | 158.3° |
| C6 | C1 | S | O2 | 39.1° | 39.1° |
| C6 | C1 | S | O1 | 82.6° | 82.6° |
| C6 | C1 | C2 | H2 | 177.4° | 177.4° |
| C1 | C6 | C5 | H5 | 179.7° | 179.7° |
| C1 | S | N1 | O2 | 114.8° | 114.8° |
| C1 | S | N1 | O1 | 116.3° | 116.3° |
| C1 | S | O2 | O1 | 115.7° | 115.7° |
| C1 | S | N1 | H1N1 | 180.0° | 180.0° |
| C1 | S | N1 | H2N1 | 60.0° | 60.0° |
| S | C1 | C2 | H2 | 7.0° | 7.0° |
| S | C1 | C6 | H6 | 7.3° | 7.3° |
| N1 | S | O2 | O1 | 126.7° | 126.7° |
| S | N1 | H1N1 | H2N1 | 120.0° | 120.0° |
| O2 | S | N1 | H1N1 | 65.2° | 65.2° |
| O2 | S | N1 | H2N1 | 54.8° | 54.8° |
| O1 | S | N1 | H1N1 | 63.7° | 63.7° |
| O1 | S | N1 | H2N1 | 176.3° | 176.3° |
| H2 | C2 | C3 | H3 | 1.9° | 1.9° |
| HN2 | N2 | C8 | H8 | 170.5° | 170.5° |
| H5 | C5 | C6 | H6 | 0.3° | 0.3° |
| H10 | C10 | C13 | H13 | 0.0° | 0.0° |
| H11 | C11 | C12 | H12 | 1.6° | 1.6° |
| H12 | C12 | C13 | H13 | 0.8° | 0.8° |
| H15 | C15 | C16 | H16 | 1.3° | 1.3° |
| H16 | C16 | C17 | H17 | 0.7° | 0.7° |
| H17 | C17 | C18 | H18 | 0.2° | 0.2° |
| H125 | C25 | H225 | H325 | 119.9° | 120.0° |
| H126 | C26 | H226 | H326 | 120.0° | 120.0° |
| H127 | C27 | H227 | H327 | 120.0° | 120.0° |
| H128 | C28 | H228 | H328 | 120.0° | 120.0° |
| H129 | C29 | H229 | H329 | 120.0° | 120.0° |
| H130 | C30 | H230 | H330 | 120.0° | 120.0° |
