A1BGE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O36 | S19 | doub | 1.42Å | 1.41Å | |
| S19 | O20 | doub | 1.42Å | 1.42Å | |
| S19 | N18 | sing | 1.66Å | 1.64Å | |
| S19 | N21 | sing | 1.66Å | 1.68Å | |
| N18 | C17 | sing | 1.47Å | 1.41Å | |
| O15 | C14 | sing | 1.43Å | 1.37Å | |
| N21 | C22 | sing | 1.47Å | 1.46Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| C16 | C14 | sing | 1.54Å | 1.54Å | |
| C16 | O37 | sing | 1.44Å | 1.41Å | |
| O13 | C12 | sing | 1.43Å | 1.41Å | |
| C14 | C12 | sing | 1.55Å | 1.54Å | |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| O37 | C11 | sing | 1.44Å | 1.39Å | |
| C12 | C11 | sing | 1.55Å | 1.59Å | |
| C11 | N10 | sing | 1.47Å | 1.46Å | |
| C23 | C24 | sing | 1.53Å | 1.51Å | |
| C24 | C25 | sing | 1.53Å | 1.48Å | |
| N10 | C06 | sing | 1.37Å | 1.38Å | Aromatic |
| N10 | C09 | sing | 1.36Å | 1.42Å | Aromatic |
| N05 | C06 | doub | 1.33Å | 1.37Å | Aromatic |
| N05 | C04 | sing | 1.32Å | 1.34Å | Aromatic |
| C06 | C07 | sing | 1.41Å | 1.42Å | Aromatic |
| C09 | N08 | doub | 1.30Å | 1.33Å | Aromatic |
| C25 | C26 | sing | 1.53Å | 1.52Å | |
| C04 | N03 | doub | 1.32Å | 1.36Å | Aromatic |
| C07 | N08 | sing | 1.35Å | 1.40Å | Aromatic |
| C07 | C02 | doub | 1.40Å | 1.41Å | Aromatic |
| C26 | C27 | sing | 1.53Å | 1.52Å | |
| N32 | C31 | sing | 1.47Å | 1.46Å | |
| N32 | C33 | sing | 1.34Å | 1.43Å | |
| N03 | C02 | sing | 1.33Å | 1.38Å | Aromatic |
| C31 | C27 | sing | 1.54Å | 1.55Å | |
| C31 | C30 | sing | 1.53Å | 1.58Å | |
| C27 | S28 | sing | 1.84Å | 1.81Å | |
| C02 | N01 | sing | 1.38Å | 1.37Å | |
| O35 | C33 | doub | 1.22Å | 1.21Å | |
| C33 | N34 | sing | 1.34Å | 1.43Å | |
| C30 | N34 | sing | 1.47Å | 1.48Å | |
| C30 | C29 | sing | 1.54Å | 1.53Å | |
| S28 | C29 | sing | 1.84Å | 1.82Å | |
| C11 | H1 | sing | 1.09Å | 1.10Å | |
| C04 | H2 | sing | 1.08Å | 1.08Å | |
| C09 | H3 | sing | 1.08Å | 1.08Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C14 | H5 | sing | 1.09Å | 1.10Å | |
| C16 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C23 | H11 | sing | 1.09Å | 1.10Å | |
| C23 | H12 | sing | 1.09Å | 1.10Å | |
| C24 | H13 | sing | 1.09Å | 1.10Å | |
| C24 | H14 | sing | 1.09Å | 1.10Å | |
| C25 | H15 | sing | 1.09Å | 1.10Å | |
| C25 | H16 | sing | 1.09Å | 1.10Å | |
| C26 | H17 | sing | 1.09Å | 1.10Å | |
| C26 | H18 | sing | 1.09Å | 1.10Å | |
| C27 | H19 | sing | 1.09Å | 1.10Å | |
| C29 | H20 | sing | 1.09Å | 1.10Å | |
| C29 | H21 | sing | 1.09Å | 1.10Å | |
| C30 | H22 | sing | 1.09Å | 1.10Å | |
| C31 | H23 | sing | 1.09Å | 1.10Å | |
| N01 | H24 | sing | 0.97Å | 1.00Å | |
| N01 | H25 | sing | 0.97Å | 1.00Å | |
| N18 | H26 | sing | 0.97Å | 1.00Å | |
| N21 | H27 | sing | 0.97Å | 1.00Å | |
| N32 | H28 | sing | 0.97Å | 1.00Å | |
| N34 | H29 | sing | 0.97Å | 1.00Å | |
| O13 | H30 | sing | 0.97Å | 0.95Å | |
| O15 | H31 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O36 | S19 | O20 | 114.6° | 123.2° |
| O36 | S19 | N18 | 112.7° | 106.4° |
| O36 | S19 | N21 | 108.0° | 106.4° |
| O20 | S19 | N18 | 104.2° | 106.4° |
| O20 | S19 | N21 | 113.3° | 106.4° |
| N18 | S19 | N21 | 103.6° | 107.2° |
| S19 | N18 | C17 | 123.3° | 120.0° |
| S19 | N18 | H26 | 105.9° | 120.0° |
| S19 | N21 | C22 | 126.1° | 120.0° |
| S19 | N21 | H27 | 105.2° | 120.0° |
| N18 | C17 | C16 | 109.0° | 109.4° |
| N18 | C17 | H7 | 109.6° | 109.5° |
| N18 | C17 | H8 | 109.6° | 109.5° |
| C17 | N18 | H26 | 105.9° | 120.0° |
| O15 | C14 | C16 | 110.5° | 110.6° |
| O15 | C14 | C12 | 114.8° | 110.5° |
| O15 | C14 | H5 | 112.1° | 110.4° |
| C14 | O15 | H31 | 109.5° | 114.0° |
| N21 | C22 | C23 | 116.9° | 109.5° |
| N21 | C22 | H9 | 107.6° | 109.5° |
| N21 | C22 | H10 | 107.6° | 109.4° |
| C22 | N21 | H27 | 105.1° | 120.0° |
| C17 | C16 | C14 | 110.6° | 109.9° |
| C17 | C16 | O37 | 112.9° | 110.0° |
| C17 | C16 | H6 | 108.8° | 110.0° |
| C16 | C17 | H7 | 109.6° | 109.5° |
| C16 | C17 | H8 | 109.6° | 109.5° |
| C14 | C16 | O37 | 105.5° | 107.4° |
| C16 | C14 | C12 | 99.8° | 104.2° |
| C16 | C14 | H5 | 109.5° | 110.5° |
| C14 | C16 | H6 | 108.6° | 109.8° |
| C16 | O37 | C11 | 113.6° | 106.9° |
| O37 | C16 | H6 | 110.3° | 109.7° |
| O13 | C12 | C14 | 109.5° | 110.9° |
| O13 | C12 | C11 | 107.8° | 110.9° |
| O13 | C12 | H4 | 113.5° | 110.9° |
| C12 | O13 | H30 | 109.5° | 114.0° |
| C14 | C12 | C11 | 103.2° | 102.1° |
| C14 | C12 | H4 | 111.5° | 110.9° |
| C12 | C14 | H5 | 109.5° | 110.4° |
| C22 | C23 | C24 | 113.9° | 109.5° |
| C23 | C22 | H9 | 107.6° | 109.5° |
| C23 | C22 | H10 | 107.6° | 109.4° |
| C22 | C23 | H11 | 108.3° | 109.4° |
| C22 | C23 | H12 | 108.3° | 109.4° |
| O37 | C11 | C12 | 104.1° | 103.6° |
| O37 | C11 | N10 | 108.6° | 110.6° |
| O37 | C11 | H1 | 110.4° | 110.6° |
| C12 | C11 | N10 | 116.5° | 110.6° |
| C12 | C11 | H1 | 107.8° | 110.7° |
| C11 | C12 | H4 | 110.8° | 110.9° |
| C11 | N10 | C06 | 128.2° | 126.3° |
| C11 | N10 | C09 | 126.8° | 126.3° |
| N10 | C11 | H1 | 109.3° | 110.5° |
| C23 | C24 | C25 | 112.3° | 109.5° |
| C24 | C23 | H11 | 108.4° | 109.5° |
| C24 | C23 | H12 | 108.4° | 109.5° |
| C23 | C24 | H13 | 108.8° | 109.5° |
| C23 | C24 | H14 | 108.8° | 109.5° |
| C24 | C25 | C26 | 112.1° | 109.5° |
| C25 | C24 | H13 | 108.8° | 109.5° |
| C25 | C24 | H14 | 108.8° | 109.5° |
| C24 | C25 | H15 | 108.8° | 109.5° |
| C24 | C25 | H16 | 108.8° | 109.5° |
| C06 | N10 | C09 | 105.0° | 107.5° |
| N10 | C06 | N05 | 128.1° | 135.0° |
| N10 | C06 | C07 | 107.6° | 106.0° |
| N10 | C09 | N08 | 112.9° | 110.0° |
| N10 | C09 | H3 | 123.5° | 125.0° |
| C06 | N05 | C04 | 112.5° | 120.7° |
| N05 | C06 | C07 | 124.3° | 119.0° |
| N05 | C04 | N03 | 129.2° | 122.5° |
| N05 | C04 | H2 | 115.4° | 118.7° |
| C06 | C07 | N08 | 109.1° | 107.1° |
| C06 | C07 | C02 | 118.2° | 118.2° |
| C09 | N08 | C07 | 105.4° | 109.5° |
| N08 | C09 | H3 | 123.6° | 125.0° |
| C25 | C26 | C27 | 109.8° | 109.5° |
| C26 | C25 | H15 | 108.8° | 109.5° |
| C26 | C25 | H16 | 108.8° | 109.4° |
| C25 | C26 | H17 | 109.4° | 109.5° |
| C25 | C26 | H18 | 109.4° | 109.4° |
| C04 | N03 | C02 | 118.0° | 121.2° |
| N03 | C04 | H2 | 115.4° | 118.8° |
| N08 | C07 | C02 | 132.7° | 134.7° |
| C07 | C02 | N03 | 117.8° | 118.5° |
| C07 | C02 | N01 | 125.1° | 120.8° |
| C26 | C27 | C31 | 116.2° | 110.7° |
| C26 | C27 | S28 | 108.8° | 110.8° |
| C27 | C26 | H17 | 109.4° | 109.5° |
| C27 | C26 | H18 | 109.4° | 109.5° |
| C26 | C27 | H19 | 110.1° | 110.7° |
| C31 | N32 | C33 | 114.4° | 109.0° |
| N32 | C31 | C27 | 109.5° | 109.2° |
| N32 | C31 | C30 | 102.3° | 104.0° |
| N32 | C31 | H23 | 112.4° | 110.6° |
| C31 | N32 | H28 | 122.8° | 125.4° |
| N32 | C33 | O35 | 126.6° | 123.0° |
| N32 | C33 | N34 | 106.4° | 113.9° |
| C33 | N32 | H28 | 122.8° | 125.5° |
| N03 | C02 | N01 | 117.1° | 120.8° |
| C27 | C31 | C30 | 110.6° | 112.3° |
| C31 | C27 | S28 | 104.7° | 102.8° |
| C31 | C27 | H19 | 109.8° | 110.9° |
| C27 | C31 | H23 | 111.1° | 110.2° |
| C31 | C30 | N34 | 106.0° | 104.0° |
| C31 | C30 | C29 | 104.8° | 112.4° |
| C31 | C30 | H22 | 109.8° | 110.5° |
| C30 | C31 | H23 | 110.7° | 110.3° |
| C27 | S28 | C29 | 87.8° | 94.8° |
| S28 | C27 | H19 | 106.8° | 110.8° |
| C02 | N01 | H24 | 109.5° | 120.0° |
| C02 | N01 | H25 | 109.5° | 120.0° |
| O35 | C33 | N34 | 126.9° | 123.1° |
| C33 | N34 | C30 | 110.9° | 109.1° |
| C33 | N34 | H29 | 124.6° | 125.4° |
| N34 | C30 | C29 | 114.5° | 109.2° |
| N34 | C30 | H22 | 111.1° | 110.2° |
| C30 | N34 | H29 | 124.6° | 125.5° |
| C30 | C29 | S28 | 105.5° | 102.7° |
| C30 | C29 | H20 | 110.5° | 110.8° |
| C30 | C29 | H21 | 110.5° | 110.8° |
| C29 | C30 | H22 | 110.3° | 110.3° |
| S28 | C29 | H20 | 110.4° | 110.7° |
| S28 | C29 | H21 | 110.5° | 110.9° |
| H7 | C17 | H8 | 109.4° | 109.5° |
| H9 | C22 | H10 | 109.5° | 109.4° |
| H11 | C23 | H12 | 109.5° | 109.5° |
| H13 | C24 | H14 | 109.5° | 109.4° |
| H15 | C25 | H16 | 109.5° | 109.5° |
| H17 | C26 | H18 | 109.5° | 109.5° |
| H20 | C29 | H21 | 109.5° | 110.7° |
| H24 | N01 | H25 | 109.5° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O36 | S19 | O20 | N18 | 123.6° | 122.9° |
| O36 | S19 | O20 | N21 | 124.6° | 123.0° |
| O36 | S19 | N18 | N21 | 116.5° | 113.5° |
| O36 | S19 | N18 | C17 | 141.5° | 48.6° |
| O36 | S19 | N21 | C22 | 113.7° | 178.6° |
| O36 | S19 | N18 | H26 | 19.6° | 131.5° |
| O36 | S19 | N21 | H27 | 124.1° | 1.5° |
| O20 | S19 | N18 | N21 | 118.7° | 113.6° |
| O20 | S19 | N18 | C17 | 16.7° | 178.5° |
| O20 | S19 | N21 | C22 | 14.3° | 48.5° |
| O20 | S19 | N18 | H26 | 105.2° | 1.4° |
| O20 | S19 | N21 | H27 | 107.9° | 131.5° |
| S19 | N18 | C17 | H26 | 121.9° | 179.9° |
| N18 | S19 | N21 | C22 | 126.5° | 65.1° |
| S19 | N18 | C17 | C16 | 170.6° | 165.0° |
| S19 | N18 | C17 | H7 | 69.5° | 45.1° |
| S19 | N18 | C17 | H8 | 50.7° | 75.0° |
| N18 | S19 | N21 | H27 | 4.3° | 115.0° |
| N21 | S19 | N18 | C17 | 102.0° | 65.0° |
| S19 | N21 | C22 | H27 | 122.2° | 179.9° |
| S19 | N21 | C22 | C23 | 110.9° | 165.0° |
| S19 | N21 | C22 | H9 | 128.0° | 44.9° |
| S19 | N21 | C22 | H10 | 10.1° | 75.0° |
| N21 | S19 | N18 | H26 | 136.1° | 115.0° |
| N18 | C17 | C16 | H7 | 119.9° | 120.0° |
| N18 | C17 | C16 | H8 | 120.0° | 120.0° |
| N18 | C17 | C16 | C14 | 169.6° | 175.0° |
| N18 | C17 | C16 | O37 | 72.4° | 67.0° |
| N18 | C17 | C16 | H6 | 50.4° | 53.9° |
| N18 | C17 | H7 | H8 | 120.2° | 120.0° |
| O15 | C14 | C16 | C17 | 81.2° | 119.8° |
| O15 | C14 | C16 | C12 | 121.3° | 118.8° |
| O15 | C14 | C16 | H5 | 123.9° | 122.6° |
| O15 | C14 | C16 | O37 | 156.4° | 120.6° |
| O15 | C14 | C12 | O13 | 37.9° | 20.2° |
| O15 | C14 | C12 | H5 | 127.0° | 122.5° |
| O15 | C14 | C12 | C11 | 152.5° | 97.9° |
| O15 | C14 | C12 | H4 | 88.5° | 143.9° |
| O15 | C14 | C16 | H6 | 38.1° | 1.4° |
| N21 | C22 | C23 | H9 | 121.1° | 120.1° |
| N21 | C22 | C23 | H10 | 121.1° | 120.0° |
| N21 | C22 | C23 | C24 | 170.9° | 180.0° |
| N21 | C22 | H9 | H10 | 116.6° | 120.0° |
| N21 | C22 | C23 | H11 | 50.3° | 60.0° |
| N21 | C22 | C23 | H12 | 68.4° | 59.9° |
| C17 | C16 | C14 | O37 | 122.4° | 119.6° |
| C17 | C16 | C14 | H6 | 119.3° | 121.2° |
| C17 | C16 | O37 | H6 | 121.9° | 121.1° |
| C17 | C16 | C14 | C12 | 157.6° | 121.4° |
| C17 | C16 | O37 | C11 | 143.5° | 145.8° |
| C17 | C16 | C14 | H5 | 42.7° | 2.8° |
| C16 | C17 | H7 | H8 | 120.2° | 120.0° |
| C16 | C17 | N18 | H26 | 48.8° | 15.0° |
| C14 | C16 | O37 | H6 | 117.1° | 119.3° |
| C16 | C14 | C12 | O13 | 80.2° | 139.1° |
| C16 | C14 | C12 | H5 | 114.8° | 118.6° |
| C14 | C16 | O37 | C11 | 22.6° | 26.3° |
| C16 | C14 | C12 | C11 | 34.4° | 20.9° |
| C16 | C14 | C12 | H4 | 153.4° | 97.3° |
| C14 | C16 | C17 | H7 | 70.5° | 55.0° |
| C14 | C16 | C17 | H8 | 49.6° | 65.0° |
| C16 | C14 | O15 | H31 | 180.0° | 176.3° |
| O37 | C16 | C14 | C12 | 35.2° | 1.9° |
| C16 | O37 | C11 | C12 | 0.4° | 39.9° |
| C16 | O37 | C11 | N10 | 124.3° | 158.4° |
| C16 | O37 | C11 | H1 | 115.8° | 78.8° |
| O37 | C16 | C14 | H5 | 79.7° | 116.8° |
| O37 | C16 | C17 | H7 | 47.5° | 173.0° |
| O37 | C16 | C17 | H8 | 167.6° | 52.9° |
| O13 | C12 | C14 | C11 | 114.6° | 118.2° |
| O13 | C12 | C14 | H4 | 126.4° | 123.6° |
| O13 | C12 | C11 | O37 | 92.7° | 155.1° |
| O13 | C12 | C11 | H4 | 124.7° | 123.6° |
| O13 | C12 | C11 | N10 | 147.8° | 86.3° |
| O13 | C12 | C11 | H1 | 24.5° | 36.5° |
| O13 | C12 | C14 | H5 | 165.0° | 102.3° |
| C14 | C12 | C11 | O37 | 23.1° | 37.0° |
| C14 | C12 | C11 | H4 | 119.5° | 118.2° |
| C14 | C12 | C11 | N10 | 96.4° | 155.5° |
| C14 | C12 | C11 | H1 | 140.3° | 81.6° |
| C12 | C14 | C16 | H6 | 83.1° | 117.4° |
| C14 | C12 | O13 | H30 | 180.0° | 67.4° |
| C12 | C14 | O15 | H31 | 68.1° | 61.4° |
| C22 | C23 | C24 | H11 | 120.7° | 120.0° |
| C22 | C23 | C24 | H12 | 120.7° | 120.0° |
| C22 | C23 | C24 | C25 | 132.3° | 180.0° |
| C23 | C22 | H9 | H10 | 116.6° | 120.0° |
| C22 | C23 | H11 | H12 | 117.9° | 119.9° |
| C22 | C23 | C24 | H13 | 11.9° | 60.0° |
| C22 | C23 | C24 | H14 | 107.3° | 60.0° |
| C23 | C22 | N21 | H27 | 11.3° | 14.9° |
| O37 | C11 | C12 | N10 | 119.5° | 118.6° |
| O37 | C11 | C12 | H1 | 117.2° | 118.6° |
| O37 | C11 | N10 | H1 | 120.5° | 122.9° |
| O37 | C11 | N10 | C06 | 83.5° | 158.6° |
| O37 | C11 | N10 | C09 | 97.2° | 21.5° |
| O37 | C11 | C12 | H4 | 142.5° | 81.2° |
| C11 | O37 | C16 | H6 | 94.5° | 93.1° |
| C12 | C11 | N10 | H1 | 122.4° | 122.9° |
| C12 | C11 | N10 | C06 | 159.5° | 87.2° |
| C12 | C11 | N10 | C09 | 19.8° | 92.8° |
| C11 | C12 | C14 | H5 | 80.4° | 139.6° |
| C11 | C12 | O13 | H30 | 68.4° | 180.0° |
| C11 | N10 | C06 | C09 | 179.4° | 179.9° |
| C11 | N10 | C06 | N05 | 0.7° | 0.1° |
| C11 | N10 | C06 | C07 | 179.6° | 180.0° |
| C11 | N10 | C09 | N08 | 179.7° | 180.0° |
| C11 | N10 | C09 | H3 | 0.4° | 0.0° |
| N10 | C11 | C12 | H4 | 23.0° | 37.3° |
| C23 | C24 | C25 | H13 | 120.4° | 120.0° |
| C23 | C24 | C25 | H14 | 120.4° | 120.0° |
| C23 | C24 | C25 | C26 | 116.7° | 180.0° |
| C24 | C23 | C22 | H9 | 68.0° | 59.9° |
| C24 | C23 | C22 | H10 | 49.9° | 60.0° |
| C24 | C23 | H11 | H12 | 118.0° | 120.1° |
| C23 | C24 | H13 | H14 | 118.7° | 120.0° |
| C23 | C24 | C25 | H15 | 3.7° | 60.0° |
| C23 | C24 | C25 | H16 | 122.9° | 60.0° |
| C24 | C25 | C26 | H15 | 120.4° | 120.0° |
| C24 | C25 | C26 | H16 | 120.4° | 120.0° |
| C24 | C25 | C26 | C27 | 132.8° | 180.0° |
| C25 | C24 | C23 | H11 | 107.1° | 60.0° |
| C25 | C24 | C23 | H12 | 11.6° | 60.0° |
| C25 | C24 | H13 | H14 | 118.7° | 120.0° |
| C24 | C25 | H15 | H16 | 118.8° | 120.0° |
| C24 | C25 | C26 | H17 | 12.8° | 60.0° |
| C24 | C25 | C26 | H18 | 107.2° | 60.0° |
| N10 | C06 | N05 | C07 | 179.7° | 179.9° |
| N10 | C06 | N05 | C04 | 179.5° | 179.8° |
| C06 | N10 | C09 | N08 | 0.2° | 0.1° |
| N10 | C06 | C07 | N08 | 0.1° | 0.0° |
| N10 | C06 | C07 | C02 | 179.7° | 180.0° |
| C06 | N10 | C11 | H1 | 37.1° | 35.8° |
| C06 | N10 | C09 | H3 | 179.8° | 180.0° |
| C09 | N10 | C06 | N05 | 179.9° | 180.0° |
| C09 | N10 | C06 | C07 | 0.2° | 0.1° |
| N10 | C09 | N08 | H3 | 180.0° | 179.9° |
| N10 | C09 | N08 | C07 | 0.2° | 0.1° |
| C09 | N10 | C11 | H1 | 142.2° | 144.3° |
| C06 | N05 | C04 | N03 | 0.1° | 0.3° |
| N05 | C06 | C07 | N08 | 179.8° | 180.0° |
| N05 | C06 | C07 | C02 | 0.1° | 0.1° |
| C06 | N05 | C04 | H2 | 179.9° | 179.7° |
| C04 | N05 | C06 | C07 | 0.2° | 0.3° |
| N05 | C04 | N03 | H2 | 180.0° | 180.0° |
| N05 | C04 | N03 | C02 | 0.6° | 0.0° |
| C06 | C07 | N08 | C09 | 0.1° | 0.0° |
| C06 | C07 | N08 | C02 | 179.7° | 180.0° |
| C06 | C07 | C02 | N03 | 0.4° | 0.2° |
| C06 | C07 | C02 | N01 | 179.9° | 180.0° |
| C09 | N08 | C07 | C02 | 179.8° | 179.9° |
| C25 | C26 | C27 | H17 | 120.0° | 120.0° |
| C25 | C26 | C27 | H18 | 120.0° | 120.0° |
| C25 | C26 | C27 | C31 | 94.6° | 179.8° |
| C25 | C26 | C27 | S28 | 147.6° | 66.4° |
| C26 | C25 | C24 | H13 | 122.9° | 60.0° |
| C26 | C25 | C24 | H14 | 3.7° | 60.0° |
| C26 | C25 | H15 | H16 | 118.8° | 120.0° |
| C25 | C26 | H17 | H18 | 119.9° | 120.0° |
| C25 | C26 | C27 | H19 | 31.0° | 56.8° |
| C04 | N03 | C02 | C07 | 0.7° | 0.2° |
| C04 | N03 | C02 | N01 | 179.8° | 180.0° |
| N08 | C07 | C02 | N03 | 179.3° | 179.8° |
| N08 | C07 | C02 | N01 | 0.2° | 0.1° |
| C07 | N08 | C09 | H3 | 179.8° | 180.0° |
| C07 | C02 | N03 | N01 | 179.5° | 179.8° |
| C07 | C02 | N01 | H24 | 179.5° | 0.1° |
| C07 | C02 | N01 | H25 | 59.5° | 180.0° |
| C26 | C27 | C31 | N32 | 34.7° | 28.1° |
| C26 | C27 | C31 | S28 | 120.0° | 118.3° |
| C26 | C27 | C31 | H19 | 125.8° | 123.3° |
| C26 | C27 | C31 | C30 | 146.6° | 143.0° |
| C26 | C27 | S28 | H19 | 118.8° | 123.2° |
| C26 | C27 | S28 | C29 | 167.3° | 153.0° |
| C27 | C26 | C25 | H15 | 106.8° | 60.0° |
| C27 | C26 | C25 | H16 | 12.4° | 60.0° |
| C27 | C26 | H17 | H18 | 119.8° | 120.0° |
| C26 | C27 | C31 | H23 | 90.1° | 93.6° |
| C31 | N32 | C33 | H28 | 180.0° | 180.0° |
| N32 | C31 | C27 | C30 | 112.0° | 114.9° |
| N32 | C31 | C27 | H23 | 124.7° | 121.7° |
| N32 | C31 | C30 | H23 | 120.0° | 118.6° |
| N32 | C31 | C27 | S28 | 85.4° | 90.2° |
| C31 | N32 | C33 | O35 | 179.7° | 180.0° |
| C31 | N32 | C33 | N34 | 1.8° | 0.0° |
| N32 | C31 | C30 | N34 | 2.4° | 0.0° |
| N32 | C31 | C30 | C29 | 123.9° | 117.9° |
| N32 | C31 | C27 | H19 | 160.4° | 151.4° |
| N32 | C31 | C30 | H22 | 117.6° | 118.3° |
| C33 | N32 | C31 | C27 | 114.7° | 120.2° |
| C33 | N32 | C31 | C30 | 2.6° | 0.0° |
| N32 | C33 | O35 | N34 | 178.2° | 180.0° |
| N32 | C33 | N34 | C30 | 0.0° | 0.0° |
| C33 | N32 | C31 | H23 | 121.4° | 118.3° |
| N32 | C33 | N34 | H29 | 180.0° | 180.0° |
| C02 | N03 | C04 | H2 | 179.4° | 179.9° |
| N03 | C02 | N01 | H24 | 0.0° | 179.8° |
| N03 | C02 | N01 | H25 | 120.0° | 0.2° |
| C27 | C31 | C30 | H23 | 123.5° | 123.4° |
| C31 | C27 | S28 | H19 | 116.3° | 118.5° |
| C27 | C31 | C30 | N34 | 114.1° | 118.0° |
| C27 | C31 | C30 | C29 | 7.4° | 0.0° |
| C31 | C27 | S28 | C29 | 42.4° | 34.7° |
| C31 | C27 | C26 | H17 | 25.4° | 60.3° |
| C31 | C27 | C26 | H18 | 145.3° | 59.8° |
| C27 | C31 | C30 | H22 | 125.8° | 123.7° |
| C27 | C31 | N32 | H28 | 65.3° | 59.9° |
| C30 | C31 | C27 | S28 | 26.6° | 24.6° |
| C31 | C30 | N34 | C33 | 1.6° | 0.0° |
| C31 | C30 | N34 | C29 | 115.0° | 120.2° |
| C31 | C30 | N34 | H22 | 119.2° | 118.5° |
| C31 | C30 | C29 | H22 | 118.1° | 123.9° |
| C31 | C30 | C29 | S28 | 38.4° | 24.6° |
| C30 | C31 | C27 | H19 | 87.6° | 93.8° |
| C31 | C30 | C29 | H20 | 81.0° | 93.7° |
| C31 | C30 | C29 | H21 | 157.8° | 143.1° |
| C30 | C31 | N32 | H28 | 177.4° | 180.0° |
| C31 | C30 | N34 | H29 | 178.4° | 180.0° |
| C27 | S28 | C29 | C30 | 48.4° | 34.6° |
| S28 | C27 | C26 | H17 | 92.3° | 173.6° |
| S28 | C27 | C26 | H18 | 27.6° | 53.5° |
| C27 | S28 | C29 | H20 | 70.9° | 83.7° |
| C27 | S28 | C29 | H21 | 167.8° | 153.1° |
| S28 | C27 | C31 | H23 | 149.9° | 148.0° |
| C02 | N01 | H24 | H25 | 120.0° | 179.9° |
| O35 | C33 | N34 | C30 | 178.5° | 180.0° |
| O35 | C33 | N32 | H28 | 0.3° | 0.0° |
| O35 | C33 | N34 | H29 | 1.5° | 0.0° |
| C33 | N34 | C30 | H29 | 180.0° | 180.0° |
| C33 | N34 | C30 | C29 | 116.6° | 120.2° |
| C33 | N34 | C30 | H22 | 117.6° | 118.5° |
| N34 | C33 | N32 | H28 | 178.2° | 180.0° |
| N34 | C30 | C29 | H22 | 126.2° | 121.3° |
| N34 | C30 | C29 | S28 | 77.3° | 90.3° |
| N34 | C30 | C29 | H20 | 163.3° | 151.4° |
| N34 | C30 | C29 | H21 | 42.1° | 28.2° |
| N34 | C30 | C31 | H23 | 122.4° | 118.6° |
| C30 | C29 | S28 | H20 | 119.4° | 118.3° |
| C30 | C29 | S28 | H21 | 119.4° | 118.4° |
| C30 | C29 | H20 | H21 | 121.8° | 123.3° |
| C29 | C30 | C31 | H23 | 116.1° | 123.4° |
| C29 | C30 | N34 | H29 | 63.4° | 59.8° |
| C29 | S28 | C27 | H19 | 73.9° | 83.8° |
| S28 | C29 | H20 | H21 | 121.8° | 123.4° |
| S28 | C29 | C30 | H22 | 156.5° | 148.4° |
| H1 | C11 | C12 | H4 | 100.2° | 160.2° |
| H4 | C12 | C14 | H5 | 38.6° | 21.3° |
| H4 | C12 | O13 | H30 | 54.7° | 56.3° |
| H5 | C14 | C16 | H6 | 162.0° | 124.0° |
| H5 | C14 | O15 | H31 | 57.6° | 61.1° |
| H6 | C16 | C17 | H7 | 170.3° | 66.0° |
| H6 | C16 | C17 | H8 | 69.6° | 173.9° |
| H7 | C17 | N18 | H26 | 168.7° | 135.0° |
| H8 | C17 | N18 | H26 | 71.2° | 104.9° |
| H9 | C22 | C23 | H11 | 171.3° | 60.1° |
| H9 | C22 | C23 | H12 | 52.7° | 180.0° |
| H9 | C22 | N21 | H27 | 109.8° | 135.0° |
| H10 | C22 | C23 | H11 | 70.8° | 180.0° |
| H10 | C22 | C23 | H12 | 170.5° | 60.1° |
| H10 | C22 | N21 | H27 | 132.4° | 105.0° |
| H11 | C23 | C24 | H13 | 132.5° | 180.0° |
| H11 | C23 | C24 | H14 | 13.4° | 60.0° |
| H12 | C23 | C24 | H13 | 108.8° | 60.0° |
| H12 | C23 | C24 | H14 | 132.1° | 180.0° |
| H13 | C24 | C25 | H15 | 116.7° | 180.0° |
| H13 | C24 | C25 | H16 | 2.5° | 60.0° |
| H14 | C24 | C25 | H15 | 124.1° | 60.0° |
| H14 | C24 | C25 | H16 | 116.6° | 179.9° |
| H15 | C25 | C26 | H17 | 133.1° | 180.0° |
| H15 | C25 | C26 | H18 | 13.2° | 60.0° |
| H16 | C25 | C26 | H17 | 107.6° | 60.0° |
| H16 | C25 | C26 | H18 | 132.5° | 180.0° |
| H17 | C26 | C27 | H19 | 151.0° | 63.1° |
| H18 | C26 | C27 | H19 | 89.1° | 176.8° |
| H19 | C27 | C31 | H23 | 35.7° | 29.7° |
| H20 | C29 | C30 | H22 | 37.1° | 30.1° |
| H21 | C29 | C30 | H22 | 84.1° | 93.1° |
| H22 | C30 | C31 | H23 | 2.3° | 0.3° |
| H22 | C30 | N34 | H29 | 62.4° | 61.5° |
| H23 | C31 | N32 | H28 | 58.6° | 61.6° |
