B1R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C3 | sing | 1.32Å | 1.32Å | |
| N1 | C5 | sing | 1.45Å | 1.45Å | |
| S1 | C2 | sing | 1.75Å | 1.75Å | |
| S1 | C6 | sing | 1.76Å | 1.76Å | |
| C2 | C4 | sing | 1.52Å | 1.52Å | |
| C2 | C7 | sing | 1.55Å | 1.55Å | |
| N2 | C3 | sing | 1.31Å | 1.31Å | |
| N2 | C4 | sing | 1.46Å | 1.46Å | |
| C3 | O3 | doub | 1.22Å | 1.22Å | |
| C4 | C5 | sing | 1.56Å | 1.56Å | |
| C5 | C6 | sing | 1.50Å | 1.50Å | |
| C7 | C8 | sing | 1.54Å | 1.54Å | |
| C8 | C9 | sing | 1.54Å | 1.54Å | |
| C9 | C10 | sing | 1.55Å | 1.55Å | |
| C10 | C11 | sing | 1.54Å | 1.54Å | |
| C11 | O12 | doub | 1.20Å | 1.20Å | |
| C11 | C17 | sing | 1.58Å | 1.58Å | |
| C14 | C15 | sing | 1.34Å | 1.34Å | |
| C14 | C18 | doub | 1.32Å | 1.32Å | |
| C15 | C16 | doub | 1.27Å | 1.27Å | |
| C16 | C17 | sing | 1.49Å | 1.49Å | |
| C17 | C18 | sing | 1.37Å | 1.37Å | |
| C19 | C20 | sing | 1.33Å | 1.33Å | |
| C19 | C23 | doub | 1.31Å | 1.31Å | |
| C20 | C21 | doub | 1.29Å | 1.29Å | |
| C21 | C22 | sing | 1.40Å | 1.40Å | |
| C22 | C23 | sing | 1.28Å | 1.28Å | |
| RU1 | C14 | sing | 2.09Å | 2.09Å | |
| RU1 | C15 | sing | 2.10Å | 2.10Å | |
| RU1 | C16 | sing | 2.10Å | 2.10Å | |
| RU1 | C17 | sing | 2.18Å | 2.18Å | |
| RU1 | C18 | sing | 2.14Å | 2.14Å | |
| RU1 | C19 | sing | 2.06Å | 2.06Å | |
| RU1 | C20 | sing | 2.08Å | 2.08Å | |
| RU1 | C21 | sing | 2.07Å | 2.07Å | |
| RU1 | C22 | sing | 2.07Å | 2.07Å | |
| RU1 | C23 | sing | 2.09Å | 2.09Å | |
| N1 | H1 | sing | 1.00Å | 1.00Å | |
| C2 | H2 | sing | 1.10Å | 1.10Å | |
| N2 | H3 | sing | 1.00Å | 1.00Å | |
| C4 | H4 | sing | 1.10Å | 1.10Å | |
| C5 | H5 | sing | 1.10Å | 1.10Å | |
| C6 | H6 | sing | 1.10Å | 1.10Å | |
| C6 | H7 | sing | 1.10Å | 1.10Å | |
| C7 | H8 | sing | 1.10Å | 1.10Å | |
| C7 | H9 | sing | 1.10Å | 1.10Å | |
| C8 | H10 | sing | 1.10Å | 1.10Å | |
| C8 | H11 | sing | 1.10Å | 1.10Å | |
| C9 | H12 | sing | 1.10Å | 1.10Å | |
| C9 | H13 | sing | 1.10Å | 1.10Å | |
| C10 | H14 | sing | 1.10Å | 1.10Å | |
| C10 | H15 | sing | 1.10Å | 1.10Å | |
| C22 | H16 | sing | 1.10Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | N1 | C5 | 112.0° | 112.0° |
| N1 | C3 | N2 | 111.3° | 111.3° |
| N1 | C3 | O3 | 124.1° | 124.1° |
| C3 | N1 | H1 | 124.0° | 124.0° |
| N1 | C5 | C4 | 102.5° | 102.5° |
| N1 | C5 | C6 | 109.2° | 109.2° |
| C5 | N1 | H1 | 124.0° | 124.0° |
| N1 | C5 | H5 | 112.4° | 112.4° |
| C2 | S1 | C6 | 95.7° | 95.7° |
| S1 | C2 | C4 | 107.3° | 107.3° |
| S1 | C2 | C7 | 109.2° | 109.2° |
| S1 | C2 | H2 | 107.5° | 107.5° |
| S1 | C6 | C5 | 108.8° | 108.8° |
| S1 | C6 | H6 | 109.6° | 109.7° |
| S1 | C6 | H7 | 109.7° | 109.7° |
| C4 | C2 | C7 | 112.3° | 112.3° |
| C2 | C4 | N2 | 111.3° | 111.3° |
| C2 | C4 | C5 | 110.2° | 110.2° |
| C4 | C2 | H2 | 110.4° | 110.4° |
| C2 | C4 | H4 | 110.9° | 110.9° |
| C2 | C7 | C8 | 112.0° | 112.0° |
| C7 | C2 | H2 | 109.9° | 109.9° |
| C2 | C7 | H8 | 108.8° | 108.8° |
| C2 | C7 | H9 | 108.8° | 108.8° |
| C3 | N2 | C4 | 112.0° | 112.0° |
| N2 | C3 | O3 | 124.4° | 124.4° |
| C3 | N2 | H3 | 124.1° | 124.0° |
| N2 | C4 | C5 | 101.9° | 101.9° |
| C4 | N2 | H3 | 124.0° | 124.0° |
| N2 | C4 | H4 | 111.8° | 111.8° |
| C4 | C5 | C6 | 110.1° | 110.1° |
| C5 | C4 | H4 | 110.4° | 110.4° |
| C4 | C5 | H5 | 110.7° | 110.7° |
| C6 | C5 | H5 | 111.5° | 111.5° |
| C5 | C6 | H6 | 109.6° | 109.6° |
| C5 | C6 | H7 | 109.7° | 109.7° |
| C7 | C8 | C9 | 112.4° | 112.4° |
| C8 | C7 | H8 | 108.8° | 108.8° |
| C8 | C7 | H9 | 108.9° | 108.9° |
| C7 | C8 | H10 | 108.8° | 108.8° |
| C7 | C8 | H11 | 108.7° | 108.7° |
| C8 | C9 | C10 | 112.0° | 112.0° |
| C9 | C8 | H10 | 108.7° | 108.7° |
| C9 | C8 | H11 | 108.7° | 108.7° |
| C8 | C9 | H12 | 108.8° | 108.8° |
| C8 | C9 | H13 | 108.9° | 108.9° |
| C9 | C10 | C11 | 111.0° | 111.0° |
| C10 | C9 | H12 | 108.9° | 108.9° |
| C10 | C9 | H13 | 108.8° | 108.8° |
| C9 | C10 | H14 | 109.1° | 109.1° |
| C9 | C10 | H15 | 109.1° | 109.1° |
| C10 | C11 | O12 | 119.2° | 119.2° |
| C10 | C11 | C17 | 119.4° | 119.4° |
| C11 | C10 | H14 | 109.1° | 109.1° |
| C11 | C10 | H15 | 109.1° | 109.1° |
| O12 | C11 | C17 | 120.5° | 120.5° |
| C11 | C17 | C16 | 125.9° | 125.9° |
| C11 | C17 | C18 | 125.6° | 125.6° |
| C11 | C17 | RU1 | 107.4° | 107.4° |
| C15 | C14 | C18 | 106.0° | 106.0° |
| C14 | C15 | C16 | 114.5° | 114.5° |
| C15 | C14 | RU1 | 71.8° | 71.8° |
| C14 | C15 | RU1 | 70.8° | 70.8° |
| C14 | C18 | C17 | 111.0° | 111.0° |
| C18 | C14 | RU1 | 74.0° | 74.0° |
| C14 | C18 | RU1 | 69.5° | 69.5° |
| C15 | C16 | C17 | 104.3° | 104.3° |
| C16 | C15 | RU1 | 72.1° | 72.1° |
| C15 | C16 | RU1 | 72.6° | 72.6° |
| C16 | C17 | C18 | 103.6° | 103.6° |
| C17 | C16 | RU1 | 72.5° | 72.5° |
| C16 | C17 | RU1 | 66.7° | 66.7° |
| C18 | C17 | RU1 | 70.3° | 70.3° |
| C17 | C18 | RU1 | 72.9° | 72.9° |
| C20 | C19 | C23 | 103.4° | 103.4° |
| C19 | C20 | C21 | 112.7° | 112.7° |
| C20 | C19 | RU1 | 72.2° | 72.2° |
| C19 | C20 | RU1 | 70.4° | 70.4° |
| C19 | C23 | C22 | 113.1° | 113.1° |
| C23 | C19 | RU1 | 72.8° | 72.8° |
| C19 | C23 | RU1 | 70.5° | 70.5° |
| C20 | C21 | C22 | 104.4° | 104.4° |
| C21 | C20 | RU1 | 71.2° | 71.2° |
| C20 | C21 | RU1 | 72.4° | 72.4° |
| C21 | C22 | C23 | 105.8° | 105.8° |
| C22 | C21 | RU1 | 70.5° | 70.5° |
| C21 | C22 | RU1 | 70.1° | 70.1° |
| C21 | C22 | H16 | 124.7° | 124.7° |
| C23 | C22 | RU1 | 72.6° | 72.6° |
| C22 | C23 | RU1 | 71.5° | 71.5° |
| C23 | C22 | H16 | 128.3° | 128.3° |
| C14 | RU1 | C15 | 37.4° | 37.4° |
| C14 | RU1 | C16 | 63.5° | 63.5° |
| C14 | RU1 | C17 | 62.6° | 62.6° |
| C14 | RU1 | C18 | 36.4° | 36.4° |
| C14 | RU1 | C19 | 147.9° | 147.9° |
| C14 | RU1 | C20 | 121.6° | 121.6° |
| C14 | RU1 | C21 | 114.9° | 114.9° |
| C14 | RU1 | C22 | 138.3° | 138.3° |
| C14 | RU1 | C23 | 173.9° | 173.9° |
| C15 | RU1 | C16 | 35.3° | 35.3° |
| C15 | RU1 | C17 | 61.4° | 61.4° |
| C15 | RU1 | C18 | 60.3° | 60.3° |
| C15 | RU1 | C19 | 174.0° | 174.0° |
| C15 | RU1 | C20 | 147.4° | 147.4° |
| C15 | RU1 | C21 | 118.4° | 118.4° |
| C15 | RU1 | C22 | 114.7° | 114.7° |
| C15 | RU1 | C23 | 138.3° | 138.3° |
| C16 | RU1 | C17 | 40.8° | 40.8° |
| C16 | RU1 | C18 | 64.0° | 64.0° |
| C16 | RU1 | C19 | 139.4° | 139.4° |
| C16 | RU1 | C20 | 174.5° | 174.5° |
| C16 | RU1 | C21 | 141.2° | 141.2° |
| C16 | RU1 | C22 | 113.4° | 113.4° |
| C16 | RU1 | C23 | 115.3° | 115.3° |
| C17 | RU1 | C18 | 36.9° | 36.9° |
| C17 | RU1 | C19 | 116.8° | 116.8° |
| C17 | RU1 | C20 | 142.1° | 142.1° |
| C17 | RU1 | C21 | 176.5° | 176.5° |
| C17 | RU1 | C22 | 144.1° | 144.1° |
| C17 | RU1 | C23 | 120.8° | 120.8° |
| C18 | RU1 | C19 | 122.2° | 122.2° |
| C18 | RU1 | C20 | 121.2° | 121.2° |
| C18 | RU1 | C21 | 139.7° | 139.7° |
| C18 | RU1 | C22 | 174.5° | 174.5° |
| C18 | RU1 | C23 | 149.3° | 149.3° |
| C19 | RU1 | C20 | 37.4° | 37.4° |
| C19 | RU1 | C21 | 63.8° | 63.8° |
| C19 | RU1 | C22 | 63.0° | 63.0° |
| C19 | RU1 | C23 | 36.7° | 36.7° |
| C20 | RU1 | C21 | 36.3° | 36.3° |
| C20 | RU1 | C22 | 61.5° | 61.5° |
| C20 | RU1 | C23 | 59.4° | 59.4° |
| C21 | RU1 | C22 | 39.4° | 39.4° |
| C21 | RU1 | C23 | 61.9° | 61.9° |
| C22 | RU1 | C23 | 35.9° | 35.9° |
| RU1 | C22 | H16 | 112.5° | 112.5° |
| H6 | C6 | H7 | 109.5° | 109.4° |
| H8 | C7 | H9 | 109.5° | 109.5° |
| H10 | C8 | H11 | 109.5° | 109.5° |
| H12 | C9 | H13 | 109.5° | 109.5° |
| H14 | C10 | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | N1 | C5 | H1 | 180.0° | 180.0° |
| N1 | C3 | N2 | O3 | 176.3° | 176.3° |
| N1 | C3 | N2 | C4 | 2.5° | 2.5° |
| C3 | N1 | C5 | C4 | 5.2° | 5.2° |
| C3 | N1 | C5 | C6 | 111.5° | 111.5° |
| N1 | C3 | N2 | H3 | 177.5° | 177.6° |
| C3 | N1 | C5 | H5 | 124.1° | 124.2° |
| N1 | C5 | C6 | S1 | 98.1° | 98.1° |
| N1 | C5 | C4 | C2 | 121.7° | 121.7° |
| C5 | N1 | C3 | N2 | 5.1° | 5.1° |
| N1 | C5 | C4 | N2 | 3.4° | 3.4° |
| C5 | N1 | C3 | O3 | 171.2° | 171.2° |
| N1 | C5 | C4 | C6 | 116.2° | 116.2° |
| N1 | C5 | C4 | H5 | 120.0° | 120.0° |
| N1 | C5 | C6 | H5 | 124.8° | 124.8° |
| N1 | C5 | C4 | H4 | 115.5° | 115.5° |
| N1 | C5 | C6 | H6 | 21.8° | 21.8° |
| N1 | C5 | C6 | H7 | 142.0° | 142.0° |
| S1 | C2 | C4 | C7 | 120.0° | 120.0° |
| S1 | C2 | C4 | H2 | 116.9° | 116.9° |
| S1 | C2 | C7 | H2 | 117.8° | 117.8° |
| S1 | C2 | C4 | N2 | 90.0° | 90.0° |
| S1 | C2 | C4 | C5 | 22.3° | 22.3° |
| C2 | S1 | C6 | C5 | 24.2° | 24.2° |
| S1 | C2 | C7 | C8 | 129.1° | 129.1° |
| S1 | C2 | C4 | H4 | 144.8° | 144.8° |
| C2 | S1 | C6 | H6 | 144.0° | 144.1° |
| C2 | S1 | C6 | H7 | 95.7° | 95.7° |
| S1 | C2 | C7 | H8 | 8.7° | 8.7° |
| S1 | C2 | C7 | H9 | 110.5° | 110.5° |
| C6 | S1 | C2 | C4 | 27.1° | 27.1° |
| C6 | S1 | C2 | C7 | 149.1° | 149.1° |
| S1 | C6 | C5 | C4 | 13.8° | 13.8° |
| S1 | C6 | C5 | H6 | 119.9° | 119.9° |
| S1 | C6 | C5 | H7 | 119.9° | 119.9° |
| C6 | S1 | C2 | H2 | 91.6° | 91.6° |
| S1 | C6 | C5 | H5 | 137.1° | 137.1° |
| S1 | C6 | H6 | H7 | 120.3° | 120.3° |
| C4 | C2 | C7 | H2 | 123.3° | 123.3° |
| C2 | C4 | N2 | C3 | 118.3° | 118.3° |
| C2 | C4 | N2 | C5 | 117.4° | 117.4° |
| C2 | C4 | N2 | H4 | 124.7° | 124.7° |
| C2 | C4 | C5 | H4 | 122.9° | 122.9° |
| C2 | C4 | C5 | C6 | 5.5° | 5.5° |
| C4 | C2 | C7 | C8 | 112.0° | 112.0° |
| C2 | C4 | N2 | H3 | 61.7° | 61.7° |
| C2 | C4 | C5 | H5 | 118.3° | 118.3° |
| C4 | C2 | C7 | H8 | 127.6° | 127.6° |
| C4 | C2 | C7 | H9 | 8.4° | 8.4° |
| C7 | C2 | C4 | N2 | 30.0° | 30.0° |
| C7 | C2 | C4 | C5 | 142.3° | 142.3° |
| C2 | C7 | C8 | H8 | 120.4° | 120.4° |
| C2 | C7 | C8 | H9 | 120.4° | 120.4° |
| C2 | C7 | C8 | C9 | 80.1° | 80.1° |
| C7 | C2 | C4 | H4 | 95.1° | 95.1° |
| C2 | C7 | H8 | H9 | 118.8° | 118.8° |
| C2 | C7 | C8 | H10 | 159.4° | 159.4° |
| C2 | C7 | C8 | H11 | 40.3° | 40.3° |
| C3 | N2 | C4 | H3 | 180.0° | 180.0° |
| C3 | N2 | C4 | C5 | 0.8° | 0.8° |
| N2 | C3 | N1 | H1 | 174.9° | 174.9° |
| C3 | N2 | C4 | H4 | 117.0° | 117.0° |
| C4 | N2 | C3 | O3 | 173.8° | 173.8° |
| N2 | C4 | C5 | H4 | 118.9° | 118.9° |
| N2 | C4 | C5 | C6 | 112.7° | 112.7° |
| N2 | C4 | C2 | H2 | 153.1° | 153.1° |
| N2 | C4 | C5 | H5 | 123.5° | 123.5° |
| O3 | C3 | N1 | H1 | 8.8° | 8.8° |
| O3 | C3 | N2 | H3 | 6.2° | 6.2° |
| C4 | C5 | C6 | H5 | 123.3° | 123.4° |
| C4 | C5 | N1 | H1 | 174.8° | 174.8° |
| C5 | C4 | C2 | H2 | 94.6° | 94.6° |
| C5 | C4 | N2 | H3 | 179.2° | 179.1° |
| C4 | C5 | C6 | H6 | 133.6° | 133.7° |
| C4 | C5 | C6 | H7 | 106.1° | 106.1° |
| C6 | C5 | N1 | H1 | 68.5° | 68.5° |
| C6 | C5 | C4 | H4 | 128.4° | 128.4° |
| C5 | C6 | H6 | H7 | 120.3° | 120.3° |
| C7 | C8 | C9 | H10 | 120.5° | 120.5° |
| C7 | C8 | C9 | H11 | 120.4° | 120.4° |
| C7 | C8 | C9 | C10 | 146.9° | 146.9° |
| C8 | C7 | C2 | H2 | 11.3° | 11.3° |
| C8 | C7 | H8 | H9 | 118.9° | 118.9° |
| C7 | C8 | H10 | H11 | 118.7° | 118.7° |
| C7 | C8 | C9 | H12 | 92.7° | 92.7° |
| C7 | C8 | C9 | H13 | 26.6° | 26.6° |
| C8 | C9 | C10 | H12 | 120.4° | 120.4° |
| C8 | C9 | C10 | H13 | 120.4° | 120.4° |
| C8 | C9 | C10 | C11 | 89.0° | 89.0° |
| C9 | C8 | C7 | H8 | 40.3° | 40.3° |
| C9 | C8 | C7 | H9 | 159.5° | 159.5° |
| C9 | C8 | H10 | H11 | 118.7° | 118.7° |
| C8 | C9 | H12 | H13 | 118.9° | 118.9° |
| C8 | C9 | C10 | H14 | 150.8° | 150.7° |
| C8 | C9 | C10 | H15 | 31.2° | 31.2° |
| C9 | C10 | C11 | H14 | 120.2° | 120.2° |
| C9 | C10 | C11 | H15 | 120.2° | 120.2° |
| C9 | C10 | C11 | O12 | 56.2° | 56.2° |
| C9 | C10 | C11 | C17 | 134.7° | 134.7° |
| C10 | C9 | C8 | H10 | 26.5° | 26.5° |
| C10 | C9 | C8 | H11 | 92.6° | 92.6° |
| C10 | C9 | H12 | H13 | 118.9° | 118.9° |
| C9 | C10 | H14 | H15 | 119.3° | 119.3° |
| C10 | C11 | O12 | C17 | 168.9° | 168.9° |
| C10 | C11 | C17 | C16 | 60.9° | 60.9° |
| C10 | C11 | C17 | C18 | 147.8° | 147.8° |
| C10 | C11 | C17 | RU1 | 134.4° | 134.4° |
| C11 | C10 | C9 | H12 | 31.3° | 31.3° |
| C11 | C10 | C9 | H13 | 150.6° | 150.6° |
| C11 | C10 | H14 | H15 | 119.3° | 119.3° |
| O12 | C11 | C17 | C16 | 130.2° | 130.2° |
| O12 | C11 | C17 | C18 | 21.1° | 21.1° |
| O12 | C11 | C17 | RU1 | 56.7° | 56.7° |
| O12 | C11 | C10 | H14 | 176.5° | 176.5° |
| O12 | C11 | C10 | H15 | 64.0° | 64.0° |
| C11 | C17 | C18 | C14 | 157.1° | 157.1° |
| C11 | C17 | C16 | C15 | 161.4° | 161.4° |
| C11 | C17 | C16 | C18 | 156.4° | 156.4° |
| C11 | C17 | C16 | RU1 | 95.2° | 95.2° |
| C11 | C17 | C18 | RU1 | 97.7° | 97.7° |
| C11 | C17 | RU1 | C14 | 157.4° | 157.4° |
| C11 | C17 | RU1 | C15 | 160.0° | 160.0° |
| C11 | C17 | RU1 | C19 | 13.5° | 13.5° |
| C11 | C17 | RU1 | C20 | 50.3° | 50.3° |
| C11 | C17 | RU1 | C21 | 112.4° | 112.4° |
| C11 | C17 | RU1 | C22 | 66.6° | 66.6° |
| C11 | C17 | RU1 | C23 | 28.3° | 28.3° |
| C17 | C11 | C10 | H14 | 14.5° | 14.5° |
| C17 | C11 | C10 | H15 | 105.0° | 105.0° |
| C15 | C14 | C18 | RU1 | 65.2° | 65.2° |
| C14 | C15 | C16 | RU1 | 58.2° | 58.2° |
| C14 | C15 | C16 | C17 | 8.0° | 8.0° |
| C15 | C14 | C18 | C17 | 3.8° | 3.8° |
| C15 | C14 | RU1 | C17 | 77.9° | 77.9° |
| C15 | C14 | RU1 | C19 | 175.3° | 175.3° |
| C15 | C14 | RU1 | C20 | 145.6° | 145.6° |
| C15 | C14 | RU1 | C21 | 104.8° | 104.8° |
| C15 | C14 | RU1 | C22 | 64.2° | 64.2° |
| C15 | C14 | RU1 | C23 | 47.6° | 47.6° |
| C18 | C14 | C15 | C16 | 7.8° | 7.8° |
| C14 | C18 | C17 | C16 | 0.6° | 0.6° |
| C14 | C18 | C17 | RU1 | 59.3° | 59.3° |
| C18 | C14 | RU1 | C16 | 81.4° | 81.4° |
| C18 | C14 | RU1 | C19 | 61.9° | 61.9° |
| C18 | C14 | RU1 | C20 | 101.1° | 101.1° |
| C18 | C14 | RU1 | C21 | 141.8° | 141.8° |
| C18 | C14 | RU1 | C22 | 177.6° | 177.6° |
| C18 | C14 | RU1 | C23 | 161.0° | 161.0° |
| C15 | C16 | C17 | RU1 | 66.2° | 66.2° |
| C15 | C16 | C17 | C18 | 5.0° | 5.0° |
| C16 | C15 | RU1 | C18 | 86.1° | 86.1° |
| C16 | C15 | RU1 | C19 | 30.2° | 30.2° |
| C16 | C15 | RU1 | C20 | 171.5° | 171.5° |
| C16 | C15 | RU1 | C21 | 140.3° | 140.3° |
| C16 | C15 | RU1 | C22 | 96.2° | 96.2° |
| C16 | C15 | RU1 | C23 | 61.7° | 61.7° |
| C16 | C17 | C18 | RU1 | 58.7° | 58.7° |
| C17 | C16 | RU1 | C14 | 77.9° | 77.9° |
| C17 | C16 | RU1 | C19 | 72.9° | 72.9° |
| C17 | C16 | RU1 | C20 | 124.6° | 124.6° |
| C17 | C16 | RU1 | C21 | 175.4° | 175.4° |
| C17 | C16 | RU1 | C22 | 148.1° | 148.1° |
| C17 | C16 | RU1 | C23 | 108.7° | 108.7° |
| C18 | C17 | RU1 | C15 | 77.6° | 77.6° |
| C18 | C17 | RU1 | C19 | 108.9° | 108.9° |
| C18 | C17 | RU1 | C20 | 72.1° | 72.1° |
| C18 | C17 | RU1 | C21 | 10.1° | 10.1° |
| C18 | C17 | RU1 | C22 | 170.9° | 170.9° |
| C18 | C17 | RU1 | C23 | 150.8° | 150.8° |
| C20 | C19 | C23 | RU1 | 66.2° | 66.2° |
| C19 | C20 | C21 | RU1 | 58.3° | 58.3° |
| C19 | C20 | C21 | C22 | 5.5° | 5.5° |
| C20 | C19 | C23 | C22 | 7.4° | 7.4° |
| C20 | C19 | RU1 | C14 | 62.3° | 62.3° |
| C20 | C19 | RU1 | C15 | 146.3° | 146.3° |
| C20 | C19 | RU1 | C16 | 172.9° | 172.9° |
| C20 | C19 | RU1 | C17 | 142.8° | 142.8° |
| C20 | C19 | RU1 | C18 | 100.6° | 100.6° |
| C20 | C19 | RU1 | C22 | 77.6° | 77.6° |
| C23 | C19 | C20 | C21 | 7.9° | 7.9° |
| C19 | C23 | C22 | C21 | 4.3° | 4.3° |
| C19 | C23 | C22 | RU1 | 58.3° | 58.3° |
| C23 | C19 | RU1 | C14 | 173.1° | 173.1° |
| C23 | C19 | RU1 | C15 | 35.6° | 35.6° |
| C23 | C19 | RU1 | C16 | 62.1° | 62.1° |
| C23 | C19 | RU1 | C17 | 106.5° | 106.5° |
| C23 | C19 | RU1 | C18 | 148.6° | 148.6° |
| C23 | C19 | RU1 | C21 | 77.4° | 77.4° |
| C19 | C23 | C22 | H16 | 163.7° | 163.7° |
| C20 | C21 | C22 | RU1 | 65.1° | 65.1° |
| C20 | C21 | C22 | C23 | 0.8° | 0.8° |
| C21 | C20 | RU1 | C14 | 89.9° | 89.9° |
| C21 | C20 | RU1 | C15 | 50.2° | 50.2° |
| C21 | C20 | RU1 | C16 | 66.4° | 66.4° |
| C21 | C20 | RU1 | C17 | 174.7° | 174.7° |
| C21 | C20 | RU1 | C18 | 132.8° | 132.8° |
| C21 | C20 | RU1 | C23 | 83.1° | 83.1° |
| C20 | C21 | C22 | H16 | 169.3° | 169.3° |
| C21 | C22 | C23 | RU1 | 62.6° | 62.6° |
| C21 | C22 | C23 | H16 | 167.9° | 167.9° |
| C22 | C21 | RU1 | C14 | 137.1° | 137.1° |
| C22 | C21 | RU1 | C15 | 95.2° | 95.2° |
| C22 | C21 | RU1 | C16 | 59.1° | 59.1° |
| C22 | C21 | RU1 | C17 | 179.1° | 179.1° |
| C22 | C21 | RU1 | C18 | 171.6° | 171.6° |
| C22 | C21 | RU1 | C19 | 78.5° | 78.5° |
| C21 | C22 | RU1 | H16 | 120.3° | 120.3° |
| C23 | C22 | RU1 | C14 | 177.0° | 177.0° |
| C23 | C22 | RU1 | C15 | 140.0° | 140.0° |
| C23 | C22 | RU1 | C16 | 101.2° | 101.2° |
| C23 | C22 | RU1 | C17 | 65.2° | 65.2° |
| C23 | C22 | RU1 | C18 | 161.9° | 161.9° |
| C23 | C22 | RU1 | C20 | 76.3° | 76.3° |
| C23 | C22 | RU1 | H16 | 125.0° | 125.0° |
| C14 | RU1 | C16 | C19 | 150.8° | 150.8° |
| C14 | RU1 | C16 | C20 | 157.5° | 157.5° |
| C14 | RU1 | C16 | C21 | 97.5° | 97.5° |
| C14 | RU1 | C16 | C22 | 133.9° | 133.9° |
| C14 | RU1 | C16 | C23 | 173.4° | 173.4° |
| C14 | RU1 | C17 | C19 | 143.9° | 143.9° |
| C14 | RU1 | C17 | C20 | 107.1° | 107.1° |
| C14 | RU1 | C17 | C21 | 45.0° | 45.0° |
| C14 | RU1 | C17 | C22 | 136.0° | 136.0° |
| C14 | RU1 | C17 | C23 | 174.3° | 174.3° |
| C14 | RU1 | C19 | C21 | 95.7° | 95.7° |
| C14 | RU1 | C19 | C22 | 140.0° | 140.0° |
| C14 | RU1 | C20 | C22 | 131.6° | 131.6° |
| C14 | RU1 | C20 | C23 | 173.0° | 173.0° |
| C14 | RU1 | C21 | C23 | 174.2° | 174.2° |
| C14 | RU1 | C22 | H16 | 52.1° | 52.1° |
| C15 | RU1 | C17 | C19 | 173.6° | 173.6° |
| C15 | RU1 | C17 | C20 | 149.7° | 149.7° |
| C15 | RU1 | C17 | C21 | 87.6° | 87.6° |
| C15 | RU1 | C17 | C22 | 93.4° | 93.4° |
| C15 | RU1 | C17 | C23 | 131.7° | 131.7° |
| C15 | RU1 | C18 | C19 | 173.7° | 173.7° |
| C15 | RU1 | C18 | C20 | 142.1° | 142.1° |
| C15 | RU1 | C18 | C21 | 99.9° | 99.9° |
| C15 | RU1 | C18 | C22 | 23.0° | 23.0° |
| C15 | RU1 | C18 | C23 | 136.2° | 136.2° |
| C15 | RU1 | C19 | C21 | 113.0° | 113.0° |
| C15 | RU1 | C19 | C22 | 68.7° | 68.7° |
| C15 | RU1 | C20 | C22 | 92.0° | 92.0° |
| C15 | RU1 | C20 | C23 | 133.4° | 133.4° |
| C15 | RU1 | C21 | C23 | 132.4° | 132.4° |
| C15 | RU1 | C22 | H16 | 15.0° | 15.0° |
| C16 | RU1 | C18 | C19 | 133.7° | 133.7° |
| C16 | RU1 | C18 | C20 | 178.0° | 178.0° |
| C16 | RU1 | C18 | C21 | 139.9° | 139.9° |
| C16 | RU1 | C18 | C22 | 63.0° | 63.0° |
| C16 | RU1 | C18 | C23 | 96.2° | 96.2° |
| C16 | RU1 | C19 | C21 | 139.5° | 139.5° |
| C16 | RU1 | C19 | C22 | 95.3° | 95.3° |
| C16 | RU1 | C20 | C22 | 24.7° | 24.7° |
| C16 | RU1 | C20 | C23 | 16.7° | 16.7° |
| C16 | RU1 | C21 | C23 | 96.3° | 96.3° |
| C16 | RU1 | C22 | H16 | 23.8° | 23.8° |
| C17 | RU1 | C19 | C21 | 176.1° | 176.1° |
| C17 | RU1 | C19 | C22 | 139.6° | 139.6° |
| C17 | RU1 | C20 | C22 | 143.5° | 143.5° |
| C17 | RU1 | C20 | C23 | 102.1° | 102.1° |
| C17 | RU1 | C21 | C23 | 141.9° | 141.9° |
| C17 | RU1 | C22 | H16 | 59.8° | 59.8° |
| C18 | RU1 | C19 | C21 | 134.0° | 134.0° |
| C18 | RU1 | C19 | C22 | 178.2° | 178.2° |
| C18 | RU1 | C20 | C22 | 174.6° | 174.6° |
| C18 | RU1 | C20 | C23 | 144.0° | 144.0° |
| C18 | RU1 | C21 | C23 | 151.3° | 151.3° |
| C18 | RU1 | C22 | H16 | 37.0° | 37.0° |
| C19 | RU1 | C22 | H16 | 158.8° | 158.8° |
| C20 | RU1 | C22 | H16 | 158.7° | 158.7° |
| H1 | N1 | C5 | H5 | 55.9° | 55.8° |
| H2 | C2 | C4 | H4 | 27.9° | 27.9° |
| H2 | C2 | C7 | H8 | 109.0° | 109.0° |
| H2 | C2 | C7 | H9 | 131.7° | 131.7° |
| H3 | N2 | C4 | H4 | 62.9° | 63.0° |
| H4 | C4 | C5 | H5 | 4.6° | 4.6° |
| H5 | C5 | C6 | H6 | 103.1° | 103.0° |
| H5 | C5 | C6 | H7 | 17.2° | 17.2° |
| H8 | C7 | C8 | H10 | 80.2° | 80.2° |
| H8 | C7 | C8 | H11 | 160.7° | 160.7° |
| H9 | C7 | C8 | H10 | 39.1° | 39.1° |
| H9 | C7 | C8 | H11 | 80.1° | 80.0° |
| H10 | C8 | C9 | H12 | 146.9° | 146.9° |
| H10 | C8 | C9 | H13 | 93.9° | 93.9° |
| H11 | C8 | C9 | H12 | 27.8° | 27.8° |
| H11 | C8 | C9 | H13 | 147.0° | 147.0° |
| H12 | C9 | C10 | H14 | 88.9° | 88.9° |
| H12 | C9 | C10 | H15 | 151.6° | 151.6° |
| H13 | C9 | C10 | H14 | 30.4° | 30.4° |
| H13 | C9 | C10 | H15 | 89.2° | 89.2° |
