B1R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C3 | sing | 1.35Å | 1.32Å | |
| N1 | C5 | sing | 1.45Å | 1.45Å | |
| S1 | C2 | sing | 1.82Å | 1.75Å | |
| S1 | C6 | sing | 1.79Å | 1.76Å | |
| C2 | C4 | sing | 1.57Å | 1.52Å | |
| C2 | C7 | sing | 1.54Å | 1.55Å | |
| N2 | C3 | sing | 1.35Å | 1.31Å | |
| N2 | C4 | sing | 1.45Å | 1.46Å | |
| C3 | O3 | doub | 1.24Å | 1.22Å | |
| C4 | C5 | sing | 1.55Å | 1.56Å | |
| C5 | C6 | sing | 1.53Å | 1.50Å | |
| C7 | C8 | sing | 1.54Å | 1.54Å | |
| C8 | C9 | sing | 1.55Å | 1.54Å | |
| C9 | C10 | sing | 1.53Å | 1.55Å | |
| C10 | C11 | sing | 1.51Å | 1.54Å | |
| C11 | O12 | doub | 1.24Å | 1.20Å | |
| C11 | C17 | sing | 1.41Å | 1.58Å | |
| C14 | C15 | sing | 1.43Å | 1.34Å | |
| C14 | C18 | doub | 1.38Å | 1.32Å | |
| C15 | C16 | doub | 1.38Å | 1.27Å | |
| C16 | C17 | sing | 1.38Å | 1.49Å | |
| C17 | C18 | sing | 1.38Å | 1.37Å | |
| C19 | C20 | sing | 1.41Å | 1.33Å | |
| C19 | C23 | doub | 1.41Å | 1.31Å | |
| C20 | C21 | doub | 1.41Å | 1.29Å | |
| C21 | C22 | sing | 1.41Å | 1.40Å | |
| C22 | C23 | sing | 1.41Å | 1.28Å | |
| RU1 | C14 | sing | 2.17Å | 2.09Å | |
| RU1 | C15 | sing | 2.17Å | 2.10Å | |
| RU1 | C16 | sing | 2.18Å | 2.10Å | |
| RU1 | C17 | sing | 2.15Å | 2.18Å | |
| RU1 | C18 | sing | 2.18Å | 2.14Å | |
| RU1 | C19 | sing | 2.17Å | 2.06Å | |
| RU1 | C20 | sing | 2.17Å | 2.08Å | |
| RU1 | C21 | sing | 2.17Å | 2.07Å | |
| RU1 | C22 | sing | 2.17Å | 2.07Å | |
| RU1 | C23 | sing | 2.17Å | 2.09Å | |
| N1 | H1 | sing | 0.86Å | 1.00Å | |
| C2 | H2 | sing | 1.00Å | 1.10Å | |
| N2 | H3 | sing | 0.86Å | 1.00Å | |
| C4 | H4 | sing | 0.99Å | 1.10Å | |
| C5 | H5 | sing | 0.99Å | 1.10Å | |
| C6 | H6 | sing | 0.99Å | 1.10Å | |
| C6 | H7 | sing | 0.99Å | 1.10Å | |
| C7 | H8 | sing | 0.98Å | 1.10Å | |
| C7 | H9 | sing | 0.98Å | 1.10Å | |
| C8 | H10 | sing | 0.98Å | 1.10Å | |
| C8 | H11 | sing | 0.98Å | 1.10Å | |
| C9 | H12 | sing | 0.98Å | 1.10Å | |
| C9 | H13 | sing | 0.98Å | 1.10Å | |
| C10 | H14 | sing | 0.99Å | 1.10Å | |
| C10 | H15 | sing | 0.99Å | 1.10Å | |
| C22 | H16 | sing | 0.94Å | 1.10Å | |
| H17 | C18 | sing | 0.94Å | 1.10Å | |
| H18 | C14 | sing | 0.95Å | 1.10Å | |
| C15 | H20 | sing | 0.95Å | 1.10Å | |
| C16 | H21 | sing | 0.94Å | 1.10Å | |
| H19 | C19 | sing | 0.94Å | 1.10Å | |
| H22 | C23 | sing | 0.94Å | 1.10Å | |
| C20 | H24 | sing | 0.94Å | 1.10Å | |
| C21 | H25 | sing | 0.94Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | N1 | C5 | 112.0° | 113.3° |
| N1 | C3 | N2 | 111.3° | 108.0° |
| N1 | C3 | O3 | 124.1° | 126.0° |
| C3 | N1 | H1 | 124.0° | 122.2° |
| N1 | C5 | C4 | 102.5° | 102.6° |
| N1 | C5 | C6 | 109.2° | 113.1° |
| C5 | N1 | H1 | 124.0° | 124.5° |
| N1 | C5 | H5 | 112.4° | 110.2° |
| C2 | S1 | C6 | 95.7° | 90.0° |
| S1 | C2 | C4 | 107.3° | 101.7° |
| S1 | C2 | C7 | 109.2° | 112.0° |
| S1 | C2 | H2 | 107.5° | 107.3° |
| S1 | C6 | C5 | 108.8° | 106.2° |
| S1 | C6 | H6 | 109.6° | 110.6° |
| S1 | C6 | H7 | 109.7° | 110.5° |
| C4 | C2 | C7 | 112.3° | 120.1° |
| C2 | C4 | N2 | 111.3° | 116.3° |
| C2 | C4 | C5 | 110.2° | 108.0° |
| C4 | C2 | H2 | 110.4° | 107.5° |
| C2 | C4 | H4 | 110.9° | 110.2° |
| C2 | C7 | C8 | 112.0° | 117.5° |
| C7 | C2 | H2 | 109.9° | 107.4° |
| C2 | C7 | H8 | 108.8° | 108.2° |
| C2 | C7 | H9 | 108.8° | 107.6° |
| C3 | N2 | C4 | 112.0° | 113.6° |
| N2 | C3 | O3 | 124.4° | 126.0° |
| C3 | N2 | H3 | 124.1° | 121.7° |
| N2 | C4 | C5 | 101.9° | 102.0° |
| C4 | N2 | H3 | 124.0° | 124.6° |
| N2 | C4 | H4 | 111.8° | 109.7° |
| C4 | C5 | C6 | 110.1° | 109.2° |
| C5 | C4 | H4 | 110.4° | 110.3° |
| C4 | C5 | H5 | 110.7° | 110.8° |
| C6 | C5 | H5 | 111.5° | 110.7° |
| C5 | C6 | H6 | 109.6° | 110.5° |
| C5 | C6 | H7 | 109.7° | 110.4° |
| C7 | C8 | C9 | 112.4° | 117.3° |
| C8 | C7 | H8 | 108.8° | 107.8° |
| C8 | C7 | H9 | 108.9° | 108.5° |
| C7 | C8 | H10 | 108.8° | 109.0° |
| C7 | C8 | H11 | 108.7° | 108.3° |
| C8 | C9 | C10 | 112.0° | 116.9° |
| C9 | C8 | H10 | 108.7° | 107.5° |
| C9 | C8 | H11 | 108.7° | 108.3° |
| C8 | C9 | H12 | 108.8° | 108.7° |
| C8 | C9 | H13 | 108.9° | 107.7° |
| C9 | C10 | C11 | 111.0° | 114.3° |
| C10 | C9 | H12 | 108.9° | 108.2° |
| C10 | C9 | H13 | 108.8° | 108.2° |
| C9 | C10 | H14 | 109.1° | 109.1° |
| C9 | C10 | H15 | 109.1° | 108.4° |
| C10 | C11 | O12 | 119.2° | 120.0° |
| C10 | C11 | C17 | 119.4° | 119.0° |
| C11 | C10 | H14 | 109.1° | 109.3° |
| C11 | C10 | H15 | 109.1° | 108.4° |
| O12 | C11 | C17 | 120.5° | 121.0° |
| C11 | C17 | C16 | 125.9° | 114.5° |
| C11 | C17 | C18 | 125.6° | 114.7° |
| C11 | C17 | RU1 | 107.4° | 164.4° |
| C15 | C14 | C18 | 106.0° | 107.8° |
| C14 | C15 | C16 | 114.5° | 107.9° |
| C15 | C14 | RU1 | 71.8° | 70.8° |
| C14 | C15 | RU1 | 70.8° | 70.8° |
| C15 | C14 | H18 | 126.4° | 126.6° |
| C14 | C15 | H20 | 120.2° | 126.5° |
| C14 | C18 | C17 | 111.0° | 106.9° |
| C18 | C14 | RU1 | 74.0° | 71.9° |
| C14 | C18 | RU1 | 69.5° | 71.2° |
| C14 | C18 | H17 | 123.9° | 126.0° |
| C18 | C14 | H18 | 127.0° | 125.6° |
| C15 | C16 | C17 | 104.3° | 106.9° |
| C16 | C15 | RU1 | 72.1° | 72.0° |
| C15 | C16 | RU1 | 72.6° | 71.2° |
| C16 | C15 | H20 | 122.1° | 125.6° |
| C15 | C16 | H21 | 131.1° | 126.0° |
| C16 | C17 | C18 | 103.6° | 110.6° |
| C17 | C16 | RU1 | 72.5° | 70.1° |
| C16 | C17 | RU1 | 66.7° | 72.8° |
| C17 | C16 | H21 | 124.2° | 127.1° |
| C18 | C17 | RU1 | 70.3° | 72.7° |
| C17 | C18 | RU1 | 72.9° | 70.1° |
| C17 | C18 | H17 | 122.7° | 127.2° |
| C20 | C19 | C23 | 103.4° | 108.0° |
| C19 | C20 | C21 | 112.7° | 108.0° |
| C20 | C19 | RU1 | 72.2° | 71.0° |
| C19 | C20 | RU1 | 70.4° | 71.0° |
| C20 | C19 | H19 | 127.7° | 126.0° |
| C19 | C20 | H24 | 121.6° | 126.0° |
| C19 | C23 | C22 | 113.1° | 108.0° |
| C23 | C19 | RU1 | 72.8° | 71.0° |
| C19 | C23 | RU1 | 70.5° | 71.0° |
| C23 | C19 | H19 | 128.4° | 126.0° |
| C19 | C23 | H22 | 121.5° | 126.0° |
| C20 | C21 | C22 | 104.4° | 108.0° |
| C21 | C20 | RU1 | 71.2° | 71.0° |
| C20 | C21 | RU1 | 72.4° | 71.0° |
| C21 | C20 | H24 | 122.5° | 126.0° |
| C20 | C21 | H25 | 129.1° | 126.0° |
| C21 | C22 | C23 | 105.8° | 108.0° |
| C22 | C21 | RU1 | 70.5° | 71.0° |
| C21 | C22 | RU1 | 70.1° | 71.1° |
| C21 | C22 | H16 | 124.7° | 126.0° |
| C22 | C21 | H25 | 125.7° | 126.0° |
| C23 | C22 | RU1 | 72.6° | 71.1° |
| C22 | C23 | RU1 | 71.5° | 71.0° |
| C23 | C22 | H16 | 128.3° | 126.0° |
| C22 | C23 | H22 | 122.1° | 126.0° |
| C14 | RU1 | C15 | 37.4° | 38.4° |
| C14 | RU1 | C16 | 63.5° | 62.7° |
| C14 | RU1 | C17 | 62.6° | 61.7° |
| C14 | RU1 | C18 | 36.4° | 36.9° |
| C14 | RU1 | C19 | 147.9° | 159.4° |
| C14 | RU1 | C20 | 121.6° | 126.9° |
| C14 | RU1 | C21 | 114.9° | 114.0° |
| C14 | RU1 | C22 | 138.3° | 128.4° |
| C14 | RU1 | C23 | 173.9° | 161.7° |
| RU1 | C14 | H18 | 112.4° | 122.9° |
| C15 | RU1 | C16 | 35.3° | 36.8° |
| C15 | RU1 | C17 | 61.4° | 61.6° |
| C15 | RU1 | C18 | 60.3° | 62.7° |
| C15 | RU1 | C19 | 174.0° | 159.9° |
| C15 | RU1 | C20 | 147.4° | 161.3° |
| C15 | RU1 | C21 | 118.4° | 128.2° |
| C15 | RU1 | C22 | 114.7° | 114.0° |
| C15 | RU1 | C23 | 138.3° | 127.2° |
| RU1 | C15 | H20 | 108.8° | 122.8° |
| C16 | RU1 | C17 | 40.8° | 37.2° |
| C16 | RU1 | C18 | 64.0° | 62.7° |
| C16 | RU1 | C19 | 139.4° | 126.9° |
| C16 | RU1 | C20 | 174.5° | 160.1° |
| C16 | RU1 | C21 | 141.2° | 160.7° |
| C16 | RU1 | C22 | 113.4° | 127.2° |
| C16 | RU1 | C23 | 115.3° | 113.1° |
| RU1 | C16 | H21 | 113.6° | 123.9° |
| C17 | RU1 | C18 | 36.9° | 37.2° |
| C17 | RU1 | C19 | 116.8° | 113.3° |
| C17 | RU1 | C20 | 142.1° | 127.3° |
| C17 | RU1 | C21 | 176.5° | 160.6° |
| C17 | RU1 | C22 | 144.1° | 160.2° |
| C17 | RU1 | C23 | 120.8° | 127.0° |
| C18 | RU1 | C19 | 122.2° | 126.5° |
| C18 | RU1 | C20 | 121.2° | 113.0° |
| C18 | RU1 | C21 | 139.7° | 127.4° |
| C18 | RU1 | C22 | 174.5° | 161.0° |
| C18 | RU1 | C23 | 149.3° | 159.7° |
| RU1 | C18 | H17 | 110.1° | 123.8° |
| C19 | RU1 | C20 | 37.4° | 37.9° |
| C19 | RU1 | C21 | 63.8° | 63.5° |
| C19 | RU1 | C22 | 63.0° | 63.5° |
| C19 | RU1 | C23 | 36.7° | 37.9° |
| RU1 | C19 | H19 | 113.2° | 123.5° |
| C20 | RU1 | C21 | 36.3° | 37.9° |
| C20 | RU1 | C22 | 61.5° | 63.5° |
| C20 | RU1 | C23 | 59.4° | 63.5° |
| RU1 | C20 | H24 | 109.5° | 123.6° |
| C21 | RU1 | C22 | 39.4° | 37.9° |
| C21 | RU1 | C23 | 61.9° | 63.5° |
| RU1 | C21 | H25 | 113.2° | 123.6° |
| C22 | RU1 | C23 | 35.9° | 37.9° |
| RU1 | C22 | H16 | 112.5° | 123.6° |
| RU1 | C23 | H22 | 109.1° | 123.5° |
| H6 | C6 | H7 | 109.5° | 108.6° |
| H8 | C7 | H9 | 109.5° | 106.7° |
| H10 | C8 | H11 | 109.5° | 106.0° |
| H12 | C9 | H13 | 109.5° | 106.7° |
| H14 | C10 | H15 | 109.5° | 107.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | N1 | C5 | H1 | 180.0° | 179.8° |
| N1 | C3 | N2 | O3 | 176.3° | 179.7° |
| N1 | C3 | N2 | C4 | 2.5° | 2.0° |
| C3 | N1 | C5 | C4 | 5.2° | 6.6° |
| C3 | N1 | C5 | C6 | 111.5° | 110.9° |
| N1 | C3 | N2 | H3 | 177.5° | 178.6° |
| C3 | N1 | C5 | H5 | 124.1° | 124.6° |
| N1 | C5 | C6 | S1 | 98.1° | 89.7° |
| N1 | C5 | C4 | C2 | 121.7° | 130.0° |
| C5 | N1 | C3 | N2 | 5.1° | 3.2° |
| N1 | C5 | C4 | N2 | 3.4° | 6.9° |
| C5 | N1 | C3 | O3 | 171.2° | 177.1° |
| N1 | C5 | C4 | C6 | 116.2° | 120.3° |
| N1 | C5 | C4 | H5 | 120.0° | 117.6° |
| N1 | C5 | C6 | H5 | 124.8° | 124.2° |
| N1 | C5 | C4 | H4 | 115.5° | 109.5° |
| N1 | C5 | C6 | H6 | 21.8° | 150.4° |
| N1 | C5 | C6 | H7 | 142.0° | 30.2° |
| S1 | C2 | C4 | C7 | 120.0° | 124.3° |
| S1 | C2 | C4 | H2 | 116.9° | 112.6° |
| S1 | C2 | C7 | H2 | 117.8° | 117.6° |
| S1 | C2 | C4 | N2 | 90.0° | 75.9° |
| S1 | C2 | C4 | C5 | 22.3° | 38.0° |
| C2 | S1 | C6 | C5 | 24.2° | 41.5° |
| S1 | C2 | C7 | C8 | 129.1° | 156.9° |
| S1 | C2 | C4 | H4 | 144.8° | 158.6° |
| C2 | S1 | C6 | H6 | 144.0° | 78.3° |
| C2 | S1 | C6 | H7 | 95.7° | 161.3° |
| S1 | C2 | C7 | H8 | 8.7° | 80.8° |
| S1 | C2 | C7 | H9 | 110.5° | 34.1° |
| C6 | S1 | C2 | C4 | 27.1° | 45.8° |
| C6 | S1 | C2 | C7 | 149.1° | 175.3° |
| S1 | C6 | C5 | C4 | 13.8° | 23.9° |
| S1 | C6 | C5 | H6 | 119.9° | 119.9° |
| S1 | C6 | C5 | H7 | 119.9° | 119.9° |
| C6 | S1 | C2 | H2 | 91.6° | 67.0° |
| S1 | C6 | C5 | H5 | 137.1° | 146.1° |
| S1 | C6 | H6 | H7 | 120.3° | 121.4° |
| C4 | C2 | C7 | H2 | 123.3° | 123.1° |
| C2 | C4 | N2 | C3 | 118.3° | 123.0° |
| C2 | C4 | N2 | C5 | 117.4° | 117.2° |
| C2 | C4 | N2 | H4 | 124.7° | 125.9° |
| C2 | C4 | C5 | H4 | 122.9° | 120.5° |
| C2 | C4 | C5 | C6 | 5.5° | 9.7° |
| C4 | C2 | C7 | C8 | 112.0° | 83.9° |
| C2 | C4 | N2 | H3 | 61.7° | 57.5° |
| C2 | C4 | C5 | H5 | 118.3° | 112.4° |
| C4 | C2 | C7 | H8 | 127.6° | 38.4° |
| C4 | C2 | C7 | H9 | 8.4° | 153.3° |
| C7 | C2 | C4 | N2 | 30.0° | 48.4° |
| C7 | C2 | C4 | C5 | 142.3° | 162.3° |
| C2 | C7 | C8 | H8 | 120.4° | 122.5° |
| C2 | C7 | C8 | H9 | 120.4° | 122.3° |
| C2 | C7 | C8 | C9 | 80.1° | 138.7° |
| C7 | C2 | C4 | H4 | 95.1° | 77.2° |
| C2 | C7 | H8 | H9 | 118.8° | 115.5° |
| C2 | C7 | C8 | H10 | 159.4° | 16.4° |
| C2 | C7 | C8 | H11 | 40.3° | 98.5° |
| C3 | N2 | C4 | H3 | 180.0° | 179.4° |
| C3 | N2 | C4 | C5 | 0.8° | 5.8° |
| N2 | C3 | N1 | H1 | 174.9° | 176.9° |
| C3 | N2 | C4 | H4 | 117.0° | 111.1° |
| C4 | N2 | C3 | O3 | 173.8° | 177.7° |
| N2 | C4 | C5 | H4 | 118.9° | 116.4° |
| N2 | C4 | C5 | C6 | 112.7° | 113.3° |
| N2 | C4 | C2 | H2 | 153.1° | 171.5° |
| N2 | C4 | C5 | H5 | 123.5° | 124.5° |
| O3 | C3 | N1 | H1 | 8.8° | 2.8° |
| O3 | C3 | N2 | H3 | 6.2° | 1.8° |
| C4 | C5 | C6 | H5 | 123.3° | 122.2° |
| C4 | C5 | N1 | H1 | 174.8° | 173.6° |
| C5 | C4 | C2 | H2 | 94.6° | 74.6° |
| C5 | C4 | N2 | H3 | 179.2° | 174.8° |
| C4 | C5 | C6 | H6 | 133.6° | 96.0° |
| C4 | C5 | C6 | H7 | 106.1° | 143.8° |
| C6 | C5 | N1 | H1 | 68.5° | 68.9° |
| C6 | C5 | C4 | H4 | 128.4° | 130.2° |
| C5 | C6 | H6 | H7 | 120.3° | 121.3° |
| C7 | C8 | C9 | H10 | 120.5° | 123.1° |
| C7 | C8 | C9 | H11 | 120.4° | 122.8° |
| C7 | C8 | C9 | C10 | 146.9° | 85.4° |
| C8 | C7 | C2 | H2 | 11.3° | 39.2° |
| C8 | C7 | H8 | H9 | 118.9° | 116.4° |
| C7 | C8 | H10 | H11 | 118.7° | 116.4° |
| C7 | C8 | C9 | H12 | 92.7° | 37.5° |
| C7 | C8 | C9 | H13 | 26.6° | 152.7° |
| C8 | C9 | C10 | H12 | 120.4° | 123.1° |
| C8 | C9 | C10 | H13 | 120.4° | 121.7° |
| C8 | C9 | C10 | C11 | 89.0° | 84.2° |
| C9 | C8 | C7 | H8 | 40.3° | 98.8° |
| C9 | C8 | C7 | H9 | 159.5° | 16.4° |
| C9 | C8 | H10 | H11 | 118.7° | 115.6° |
| C8 | C9 | H12 | H13 | 118.9° | 115.9° |
| C8 | C9 | C10 | H14 | 150.8° | 38.4° |
| C8 | C9 | C10 | H15 | 31.2° | 154.8° |
| C9 | C10 | C11 | H14 | 120.2° | 122.6° |
| C9 | C10 | C11 | H15 | 120.2° | 121.0° |
| C9 | C10 | C11 | O12 | 56.2° | 85.6° |
| C9 | C10 | C11 | C17 | 134.7° | 94.6° |
| C10 | C9 | C8 | H10 | 26.5° | 151.5° |
| C10 | C9 | C8 | H11 | 92.6° | 37.4° |
| C10 | C9 | H12 | H13 | 118.9° | 116.2° |
| C9 | C10 | H14 | H15 | 119.3° | 117.2° |
| C10 | C11 | O12 | C17 | 168.9° | 179.8° |
| C10 | C11 | C17 | C16 | 60.9° | 113.1° |
| C10 | C11 | C17 | C18 | 147.8° | 117.5° |
| C10 | C11 | C17 | RU1 | 134.4° | 2.0° |
| C11 | C10 | C9 | H12 | 31.3° | 152.7° |
| C11 | C10 | C9 | H13 | 150.6° | 37.5° |
| C11 | C10 | H14 | H15 | 119.3° | 117.2° |
| O12 | C11 | C17 | C16 | 130.2° | 66.7° |
| O12 | C11 | C17 | C18 | 21.1° | 62.7° |
| O12 | C11 | C17 | RU1 | 56.7° | 178.2° |
| O12 | C11 | C10 | H14 | 176.5° | 151.8° |
| O12 | C11 | C10 | H15 | 64.0° | 35.4° |
| C11 | C17 | C18 | C14 | 157.1° | 132.7° |
| C11 | C17 | C16 | C15 | 161.4° | 132.7° |
| C11 | C17 | C16 | C18 | 156.4° | 131.4° |
| C11 | C17 | C16 | RU1 | 95.2° | 165.2° |
| C11 | C17 | C18 | RU1 | 97.7° | 165.3° |
| C11 | C17 | RU1 | C14 | 157.4° | 158.2° |
| C11 | C17 | RU1 | C15 | 160.0° | 157.9° |
| C11 | C17 | RU1 | C19 | 13.5° | 0.4° |
| C11 | C17 | RU1 | C20 | 50.3° | 41.7° |
| C11 | C17 | RU1 | C21 | 112.4° | 76.4° |
| C11 | C17 | RU1 | C22 | 66.6° | 75.6° |
| C11 | C17 | RU1 | C23 | 28.3° | 40.9° |
| C17 | C11 | C10 | H14 | 14.5° | 27.9° |
| C17 | C11 | C10 | H15 | 105.0° | 144.4° |
| C11 | C17 | C18 | H17 | 5.6° | 47.4° |
| C11 | C17 | C16 | H21 | 11.8° | 47.3° |
| C15 | C14 | C18 | RU1 | 65.2° | 62.2° |
| C15 | C14 | C18 | H18 | 171.5° | 179.9° |
| C14 | C15 | C16 | RU1 | 58.2° | 62.1° |
| C14 | C15 | C16 | H20 | 159.5° | 180.0° |
| C14 | C15 | C16 | C17 | 8.0° | 0.7° |
| C15 | C14 | C18 | C17 | 3.8° | 0.8° |
| C15 | C14 | RU1 | H18 | 122.7° | 121.8° |
| C14 | C15 | RU1 | H20 | 116.4° | 121.7° |
| C15 | C14 | RU1 | C17 | 77.9° | 79.1° |
| C15 | C14 | RU1 | C19 | 175.3° | 160.0° |
| C15 | C14 | RU1 | C20 | 145.6° | 163.7° |
| C15 | C14 | RU1 | C21 | 104.8° | 122.0° |
| C15 | C14 | RU1 | C22 | 64.2° | 80.5° |
| C15 | C14 | RU1 | C23 | 47.6° | 44.3° |
| C15 | C14 | C18 | H17 | 166.2° | 179.2° |
| C14 | C15 | C16 | H21 | 164.6° | 179.2° |
| C18 | C14 | C15 | C16 | 7.8° | 0.0° |
| C14 | C18 | C17 | C16 | 0.6° | 1.3° |
| C14 | C18 | C17 | RU1 | 59.3° | 62.1° |
| C14 | C18 | C17 | H17 | 162.6° | 180.0° |
| C18 | C14 | RU1 | H18 | 124.0° | 121.2° |
| C18 | C14 | RU1 | C16 | 81.4° | 80.1° |
| C14 | C18 | RU1 | H17 | 119.8° | 121.2° |
| C18 | C14 | RU1 | C19 | 61.9° | 43.1° |
| C18 | C14 | RU1 | C20 | 101.1° | 79.3° |
| C18 | C14 | RU1 | C21 | 141.8° | 121.1° |
| C18 | C14 | RU1 | C22 | 177.6° | 162.5° |
| C18 | C14 | RU1 | C23 | 161.0° | 161.3° |
| C18 | C14 | C15 | H20 | 167.7° | 180.0° |
| C15 | C16 | C17 | RU1 | 66.2° | 62.1° |
| C15 | C16 | C17 | H21 | 173.2° | 180.0° |
| C15 | C16 | C17 | C18 | 5.0° | 1.3° |
| C16 | C15 | RU1 | H20 | 118.6° | 121.2° |
| C15 | C16 | RU1 | H21 | 127.9° | 121.3° |
| C16 | C15 | RU1 | C18 | 86.1° | 80.1° |
| C16 | C15 | RU1 | C19 | 30.2° | 42.5° |
| C16 | C15 | RU1 | C20 | 171.5° | 161.4° |
| C16 | C15 | RU1 | C21 | 140.3° | 162.2° |
| C16 | C15 | RU1 | C22 | 96.2° | 120.7° |
| C16 | C15 | RU1 | C23 | 61.7° | 78.9° |
| C16 | C15 | C14 | H18 | 163.8° | 179.9° |
| C16 | C17 | C18 | RU1 | 58.7° | 63.4° |
| C17 | C16 | RU1 | C14 | 77.9° | 78.3° |
| C17 | C16 | RU1 | H21 | 120.4° | 122.0° |
| C17 | C16 | RU1 | C19 | 72.9° | 80.1° |
| C17 | C16 | RU1 | C20 | 124.6° | 45.7° |
| C17 | C16 | RU1 | C21 | 175.4° | 163.1° |
| C17 | C16 | RU1 | C22 | 148.1° | 162.6° |
| C17 | C16 | RU1 | C23 | 108.7° | 121.4° |
| C16 | C17 | C18 | H17 | 162.0° | 178.7° |
| C17 | C16 | C15 | H20 | 167.5° | 179.2° |
| C18 | C17 | RU1 | C15 | 77.6° | 81.3° |
| C17 | C18 | RU1 | H17 | 119.2° | 122.1° |
| C18 | C17 | RU1 | C19 | 108.9° | 120.3° |
| C18 | C17 | RU1 | C20 | 72.1° | 79.0° |
| C18 | C17 | RU1 | C21 | 10.1° | 44.4° |
| C18 | C17 | RU1 | C22 | 170.9° | 163.6° |
| C18 | C17 | RU1 | C23 | 150.8° | 161.6° |
| C17 | C18 | C14 | H18 | 167.7° | 179.3° |
| C18 | C17 | C16 | H21 | 168.2° | 178.7° |
| C20 | C19 | C23 | RU1 | 66.2° | 61.7° |
| C20 | C19 | C23 | H19 | 172.6° | 179.9° |
| C19 | C20 | C21 | RU1 | 58.3° | 61.8° |
| C19 | C20 | C21 | H24 | 159.9° | 179.9° |
| C19 | C20 | C21 | C22 | 5.5° | 0.1° |
| C20 | C19 | C23 | C22 | 7.4° | 0.0° |
| C20 | C19 | RU1 | C14 | 62.3° | 50.2° |
| C20 | C19 | RU1 | C15 | 146.3° | 167.8° |
| C20 | C19 | RU1 | C16 | 172.9° | 161.8° |
| C20 | C19 | RU1 | C17 | 142.8° | 121.4° |
| C20 | C19 | RU1 | C18 | 100.6° | 80.9° |
| C20 | C19 | RU1 | H19 | 124.2° | 121.1° |
| C19 | C20 | RU1 | H24 | 117.6° | 121.2° |
| C20 | C19 | RU1 | C22 | 77.6° | 80.1° |
| C20 | C19 | C23 | H22 | 167.2° | 179.9° |
| C19 | C20 | C21 | H25 | 164.2° | 180.0° |
| C23 | C19 | C20 | C21 | 7.9° | 0.0° |
| C19 | C23 | C22 | C21 | 4.3° | 0.0° |
| C19 | C23 | C22 | RU1 | 58.3° | 61.8° |
| C19 | C23 | C22 | H22 | 159.7° | 179.9° |
| C23 | C19 | RU1 | C14 | 173.1° | 167.8° |
| C23 | C19 | RU1 | C15 | 35.6° | 50.2° |
| C23 | C19 | RU1 | C16 | 62.1° | 80.6° |
| C23 | C19 | RU1 | C17 | 106.5° | 121.0° |
| C23 | C19 | RU1 | C18 | 148.6° | 161.5° |
| C23 | C19 | RU1 | H19 | 125.1° | 121.2° |
| C23 | C19 | RU1 | C21 | 77.4° | 80.1° |
| C19 | C23 | RU1 | H22 | 117.6° | 121.2° |
| C19 | C23 | C22 | H16 | 163.7° | 180.0° |
| C23 | C19 | C20 | H24 | 168.1° | 180.0° |
| C20 | C21 | C22 | RU1 | 65.1° | 61.7° |
| C20 | C21 | C22 | H25 | 170.2° | 179.9° |
| C20 | C21 | C22 | C23 | 0.8° | 0.1° |
| C21 | C20 | RU1 | C14 | 89.9° | 82.1° |
| C21 | C20 | RU1 | C15 | 50.2° | 49.3° |
| C21 | C20 | RU1 | C16 | 66.4° | 165.0° |
| C21 | C20 | RU1 | C17 | 174.7° | 162.1° |
| C21 | C20 | RU1 | C18 | 132.8° | 122.0° |
| C21 | C20 | RU1 | H24 | 118.8° | 121.2° |
| C20 | C21 | RU1 | H25 | 125.7° | 121.2° |
| C21 | C20 | RU1 | C23 | 83.1° | 80.1° |
| C20 | C21 | C22 | H16 | 169.3° | 180.0° |
| C21 | C20 | C19 | H19 | 164.7° | 180.0° |
| C21 | C22 | C23 | RU1 | 62.6° | 61.8° |
| C21 | C22 | C23 | H16 | 167.9° | 179.9° |
| C22 | C21 | RU1 | C14 | 137.1° | 122.5° |
| C22 | C21 | RU1 | C15 | 95.2° | 80.4° |
| C22 | C21 | RU1 | C16 | 59.1° | 46.9° |
| C22 | C21 | RU1 | C17 | 179.1° | 165.0° |
| C22 | C21 | RU1 | C18 | 171.6° | 162.8° |
| C22 | C21 | RU1 | C19 | 78.5° | 80.1° |
| C22 | C21 | RU1 | H25 | 121.5° | 121.2° |
| C21 | C22 | RU1 | H16 | 120.3° | 121.2° |
| C21 | C22 | C23 | H22 | 164.0° | 180.0° |
| C22 | C21 | C20 | H24 | 165.4° | 180.0° |
| C23 | C22 | RU1 | C14 | 177.0° | 162.5° |
| C23 | C22 | RU1 | C15 | 140.0° | 120.4° |
| C23 | C22 | RU1 | C16 | 101.2° | 80.0° |
| C23 | C22 | RU1 | C17 | 65.2° | 47.7° |
| C23 | C22 | RU1 | C18 | 161.9° | 163.9° |
| C23 | C22 | RU1 | C20 | 76.3° | 80.1° |
| C23 | C22 | RU1 | H16 | 125.0° | 121.2° |
| C22 | C23 | RU1 | H22 | 118.5° | 121.2° |
| C22 | C23 | C19 | H19 | 165.2° | 179.9° |
| C23 | C22 | C21 | H25 | 169.4° | 180.0° |
| C14 | RU1 | C16 | C19 | 150.8° | 158.4° |
| C14 | RU1 | C16 | C20 | 157.5° | 124.0° |
| C14 | RU1 | C16 | C21 | 97.5° | 84.8° |
| C14 | RU1 | C16 | C22 | 133.9° | 119.1° |
| C14 | RU1 | C16 | C23 | 173.4° | 160.3° |
| C14 | RU1 | C17 | C19 | 143.9° | 157.8° |
| C14 | RU1 | C17 | C20 | 107.1° | 116.5° |
| C14 | RU1 | C17 | C21 | 45.0° | 81.9° |
| C14 | RU1 | C17 | C22 | 136.0° | 126.1° |
| C14 | RU1 | C17 | C23 | 174.3° | 160.9° |
| C14 | RU1 | C19 | C21 | 95.7° | 87.7° |
| C14 | RU1 | C19 | C22 | 140.0° | 130.3° |
| C14 | RU1 | C20 | C22 | 131.6° | 119.6° |
| C14 | RU1 | C20 | C23 | 173.0° | 162.2° |
| C14 | RU1 | C21 | C23 | 174.2° | 160.0° |
| C14 | RU1 | C22 | H16 | 52.1° | 41.3° |
| C14 | RU1 | C16 | H21 | 161.7° | 159.7° |
| C14 | RU1 | C19 | H19 | 61.8° | 70.9° |
| C14 | RU1 | C23 | H22 | 99.6° | 72.5° |
| C14 | RU1 | C20 | H24 | 28.9° | 39.0° |
| C14 | RU1 | C21 | H25 | 15.6° | 1.3° |
| C15 | RU1 | C17 | C19 | 173.6° | 158.3° |
| C15 | RU1 | C17 | C20 | 149.7° | 160.4° |
| C15 | RU1 | C17 | C21 | 87.6° | 125.7° |
| C15 | RU1 | C17 | C22 | 93.4° | 82.3° |
| C15 | RU1 | C17 | C23 | 131.7° | 117.0° |
| C15 | RU1 | C18 | C19 | 173.7° | 158.9° |
| C15 | RU1 | C18 | C20 | 142.1° | 159.9° |
| C15 | RU1 | C18 | C21 | 99.9° | 118.8° |
| C15 | RU1 | C18 | C22 | 23.0° | 84.8° |
| C15 | RU1 | C18 | C23 | 136.2° | 124.7° |
| C15 | RU1 | C19 | C21 | 113.0° | 130.3° |
| C15 | RU1 | C19 | C22 | 68.7° | 87.7° |
| C15 | RU1 | C20 | C22 | 92.0° | 86.8° |
| C15 | RU1 | C20 | C23 | 133.4° | 129.4° |
| C15 | RU1 | C21 | C23 | 132.4° | 117.9° |
| C15 | RU1 | C22 | H16 | 15.0° | 0.8° |
| C15 | RU1 | C18 | H17 | 159.7° | 159.7° |
| C15 | RU1 | C19 | H19 | 89.5° | 71.0° |
| C15 | RU1 | C23 | H22 | 57.1° | 39.5° |
| C15 | RU1 | C20 | H24 | 68.6° | 71.8° |
| C15 | RU1 | C21 | H25 | 26.2° | 40.8° |
| C16 | RU1 | C18 | C19 | 133.7° | 117.2° |
| C16 | RU1 | C18 | C20 | 178.0° | 158.5° |
| C16 | RU1 | C18 | C21 | 139.9° | 160.4° |
| C16 | RU1 | C18 | C22 | 63.0° | 126.4° |
| C16 | RU1 | C18 | C23 | 96.2° | 83.0° |
| C16 | RU1 | C19 | C21 | 139.5° | 160.7° |
| C16 | RU1 | C19 | C22 | 95.3° | 118.1° |
| C16 | RU1 | C20 | C22 | 24.7° | 127.5° |
| C16 | RU1 | C20 | C23 | 16.7° | 84.9° |
| C16 | RU1 | C21 | C23 | 96.3° | 84.4° |
| C16 | RU1 | C22 | H16 | 23.8° | 41.1° |
| C16 | RU1 | C18 | H17 | 160.3° | 158.6° |
| C16 | RU1 | C14 | H18 | 154.6° | 158.7° |
| C16 | RU1 | C19 | H19 | 63.0° | 40.6° |
| C16 | RU1 | C23 | H22 | 22.9° | 0.3° |
| C16 | RU1 | C20 | H24 | 174.8° | 73.9° |
| C16 | RU1 | C21 | H25 | 62.3° | 74.3° |
| C17 | RU1 | C19 | C21 | 176.1° | 158.9° |
| C17 | RU1 | C19 | C22 | 139.6° | 158.5° |
| C17 | RU1 | C20 | C22 | 143.5° | 160.4° |
| C17 | RU1 | C20 | C23 | 102.1° | 117.8° |
| C17 | RU1 | C21 | C23 | 141.9° | 127.5° |
| C17 | RU1 | C22 | H16 | 59.8° | 73.5° |
| C17 | RU1 | C14 | H18 | 159.4° | 159.1° |
| C17 | RU1 | C15 | H20 | 162.3° | 159.1° |
| C17 | RU1 | C19 | H19 | 18.6° | 0.2° |
| C17 | RU1 | C23 | H22 | 23.2° | 40.5° |
| C17 | RU1 | C20 | H24 | 56.0° | 41.0° |
| C17 | RU1 | C21 | H25 | 59.5° | 73.8° |
| C18 | RU1 | C19 | C21 | 134.0° | 118.4° |
| C18 | RU1 | C19 | C22 | 178.2° | 161.0° |
| C18 | RU1 | C20 | C22 | 174.6° | 159.4° |
| C18 | RU1 | C20 | C23 | 144.0° | 158.0° |
| C18 | RU1 | C21 | C23 | 151.3° | 159.7° |
| C18 | RU1 | C22 | H16 | 37.0° | 74.9° |
| C18 | RU1 | C15 | H20 | 155.2° | 158.7° |
| C18 | RU1 | C16 | H21 | 157.5° | 158.6° |
| C18 | RU1 | C19 | H19 | 23.5° | 40.3° |
| C18 | RU1 | C23 | H22 | 58.2° | 73.8° |
| C18 | RU1 | C20 | H24 | 14.1° | 0.8° |
| C18 | RU1 | C21 | H25 | 50.1° | 41.6° |
| C19 | RU1 | C22 | H16 | 158.8° | 158.7° |
| C19 | RU1 | C18 | H17 | 26.6° | 41.4° |
| C19 | RU1 | C14 | H18 | 62.0° | 78.1° |
| C19 | RU1 | C15 | H20 | 88.4° | 78.7° |
| C19 | RU1 | C16 | H21 | 47.5° | 41.9° |
| C19 | RU1 | C21 | H25 | 160.0° | 158.7° |
| C20 | RU1 | C22 | H16 | 158.7° | 158.7° |
| C20 | RU1 | C18 | H17 | 17.7° | 0.1° |
| C20 | RU1 | C14 | H18 | 22.9° | 41.9° |
| C20 | RU1 | C15 | H20 | 52.8° | 77.4° |
| C20 | RU1 | C16 | H21 | 4.2° | 76.3° |
| C20 | RU1 | C23 | H22 | 158.9° | 158.7° |
| C21 | RU1 | C18 | H17 | 59.8° | 40.9° |
| C21 | RU1 | C14 | H18 | 17.9° | 0.1° |
| C21 | RU1 | C15 | H20 | 21.7° | 41.0° |
| C21 | RU1 | C16 | H21 | 64.2° | 74.9° |
| C21 | RU1 | C19 | H19 | 157.5° | 158.7° |
| C21 | RU1 | C23 | H22 | 159.3° | 158.7° |
| C22 | RU1 | C18 | H17 | 136.7° | 75.0° |
| C22 | RU1 | C14 | H18 | 58.4° | 41.3° |
| C22 | RU1 | C15 | H20 | 22.4° | 0.6° |
| C22 | RU1 | C16 | H21 | 27.8° | 40.6° |
| C22 | RU1 | C19 | H19 | 158.2° | 158.7° |
| C22 | RU1 | C20 | H24 | 160.5° | 158.7° |
| C23 | RU1 | C18 | H17 | 64.1° | 75.6° |
| C23 | RU1 | C14 | H18 | 75.0° | 77.5° |
| C23 | RU1 | C15 | H20 | 56.9° | 42.3° |
| C23 | RU1 | C16 | H21 | 11.7° | 0.6° |
| C23 | RU1 | C20 | H24 | 158.1° | 158.7° |
| C23 | RU1 | C21 | H25 | 158.6° | 158.7° |
| H1 | N1 | C5 | H5 | 55.9° | 55.6° |
| H2 | C2 | C4 | H4 | 27.9° | 45.9° |
| H2 | C2 | C7 | H8 | 109.0° | 161.5° |
| H2 | C2 | C7 | H9 | 131.7° | 83.5° |
| H3 | N2 | C4 | H4 | 62.9° | 68.3° |
| H4 | C4 | C5 | H5 | 4.6° | 8.1° |
| H5 | C5 | C6 | H6 | 103.1° | 26.2° |
| H5 | C5 | C6 | H7 | 17.2° | 94.1° |
| H8 | C7 | C8 | H10 | 80.2° | 138.8° |
| H8 | C7 | C8 | H11 | 160.7° | 23.9° |
| H9 | C7 | C8 | H10 | 39.1° | 105.9° |
| H9 | C7 | C8 | H11 | 80.1° | 139.2° |
| H10 | C8 | C9 | H12 | 146.9° | 85.7° |
| H10 | C8 | C9 | H13 | 93.9° | 29.6° |
| H11 | C8 | C9 | H12 | 27.8° | 160.2° |
| H11 | C8 | C9 | H13 | 147.0° | 84.6° |
| H12 | C9 | C10 | H14 | 88.9° | 84.7° |
| H12 | C9 | C10 | H15 | 151.6° | 31.7° |
| H13 | C9 | C10 | H14 | 30.4° | 160.1° |
| H13 | C9 | C10 | H15 | 89.2° | 83.5° |
| H16 | C22 | C23 | H22 | 4.0° | 0.1° |
| H16 | C22 | C21 | H25 | 0.9° | 0.1° |
| H17 | C18 | C14 | H18 | 5.3° | 0.7° |
| H18 | C14 | C15 | H20 | 3.8° | 0.1° |
| H20 | C15 | C16 | H21 | 5.1° | 0.8° |
| H19 | C19 | C23 | H22 | 5.4° | 0.0° |
| H19 | C19 | C20 | H24 | 4.6° | 0.1° |
| H24 | C20 | C21 | H25 | 4.3° | 0.1° |
