V56
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O13 | C12 | sing | 1.43Å | 1.41Å | |
| C12 | C11 | sing | 1.53Å | 1.55Å | |
| O23 | C16 | doub | 1.21Å | 1.19Å | |
| C11 | C14 | sing | 1.53Å | 1.53Å | |
| C11 | N10 | sing | 1.48Å | 1.46Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C16 | C15 | sing | 1.51Å | 1.54Å | |
| C16 | N17 | sing | 1.37Å | 1.45Å | |
| C18 | N17 | sing | 1.48Å | 1.47Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| N10 | C09 | sing | 1.36Å | 1.44Å | |
| O24 | C09 | doub | 1.21Å | 1.20Å | |
| C19 | C20 | sing | 1.53Å | 1.51Å | |
| C09 | C04 | sing | 1.51Å | 1.53Å | |
| C05 | C04 | sing | 1.53Å | 1.50Å | |
| C05 | C06 | sing | 1.53Å | 1.54Å | |
| C04 | N03 | sing | 1.46Å | 1.43Å | |
| C20 | C21 | sing | 1.53Å | 1.56Å | |
| C07 | C06 | sing | 1.53Å | 1.55Å | |
| C21 | C22 | sing | 1.53Å | 1.54Å | |
| N03 | C02 | sing | 1.35Å | 1.45Å | |
| C06 | C08 | sing | 1.53Å | 1.53Å | |
| O01 | C02 | doub | 1.21Å | 1.19Å | |
| C02 | O25 | sing | 1.35Å | 1.42Å | |
| O25 | C26 | sing | 1.45Å | 1.42Å | |
| C22 | C26 | sing | 1.53Å | 1.53Å | |
| C26 | C27 | sing | 1.51Å | 1.53Å | |
| C27 | C33 | doub | 1.38Å | 1.38Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.38Å | Aromatic |
| C33 | C31 | sing | 1.38Å | 1.37Å | Aromatic |
| C28 | C29 | doub | 1.38Å | 1.40Å | Aromatic |
| C31 | CL32 | sing | 1.74Å | 1.77Å | |
| C31 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.38Å | Aromatic |
| N17 | H1 | sing | 0.97Å | 1.00Å | |
| C18 | H2 | sing | 1.09Å | 1.10Å | |
| C18 | H3 | sing | 1.09Å | 1.10Å | |
| C19 | H4 | sing | 1.09Å | 1.10Å | |
| C19 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C20 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C21 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C26 | H12 | sing | 1.09Å | 1.10Å | |
| C28 | H13 | sing | 1.08Å | 1.08Å | |
| C29 | H14 | sing | 1.08Å | 1.08Å | |
| C30 | H15 | sing | 1.08Å | 1.08Å | |
| C33 | H16 | sing | 1.08Å | 1.08Å | |
| N03 | H17 | sing | 0.97Å | 1.00Å | |
| C04 | H18 | sing | 1.09Å | 1.10Å | |
| C05 | H19 | sing | 1.09Å | 1.10Å | |
| C05 | H20 | sing | 1.09Å | 1.10Å | |
| C06 | H21 | sing | 1.09Å | 1.10Å | |
| C07 | H22 | sing | 1.09Å | 1.10Å | |
| C07 | H23 | sing | 1.09Å | 1.10Å | |
| C07 | H24 | sing | 1.09Å | 1.10Å | |
| C08 | H25 | sing | 1.09Å | 1.10Å | |
| C08 | H26 | sing | 1.09Å | 1.10Å | |
| C08 | H27 | sing | 1.09Å | 1.10Å | |
| N10 | H28 | sing | 0.97Å | 1.00Å | |
| C11 | H29 | sing | 1.09Å | 1.10Å | |
| C12 | H30 | sing | 1.09Å | 1.10Å | |
| C12 | H31 | sing | 1.09Å | 1.10Å | |
| C14 | H32 | sing | 1.09Å | 1.10Å | |
| C14 | H33 | sing | 1.09Å | 1.10Å | |
| C15 | H34 | sing | 1.09Å | 1.10Å | |
| C15 | H35 | sing | 1.09Å | 1.10Å | |
| O13 | H36 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O13 | C12 | C11 | 106.8° | 109.5° |
| O13 | C12 | H30 | 110.1° | 109.4° |
| O13 | C12 | H31 | 110.1° | 109.4° |
| C12 | O13 | H36 | 109.5° | 114.0° |
| C12 | C11 | C14 | 111.5° | 109.5° |
| C12 | C11 | N10 | 107.9° | 109.5° |
| C12 | C11 | H29 | 108.8° | 109.7° |
| C11 | C12 | H30 | 110.2° | 109.5° |
| C11 | C12 | H31 | 110.1° | 109.5° |
| O23 | C16 | C15 | 124.2° | 120.8° |
| O23 | C16 | N17 | 121.8° | 120.7° |
| C14 | C11 | N10 | 109.8° | 108.8° |
| C11 | C14 | C15 | 112.7° | 109.4° |
| C14 | C11 | H29 | 109.0° | 109.6° |
| C11 | C14 | H32 | 108.7° | 109.4° |
| C11 | C14 | H33 | 108.7° | 109.5° |
| C11 | N10 | C09 | 119.7° | 116.2° |
| C11 | N10 | H28 | 120.2° | 121.9° |
| N10 | C11 | H29 | 109.9° | 109.6° |
| C14 | C15 | C16 | 113.3° | 109.5° |
| C15 | C14 | H32 | 108.7° | 109.5° |
| C15 | C14 | H33 | 108.7° | 109.5° |
| C14 | C15 | H34 | 108.5° | 109.4° |
| C14 | C15 | H35 | 108.5° | 109.5° |
| C15 | C16 | N17 | 114.0° | 118.5° |
| C16 | C15 | H34 | 108.5° | 109.5° |
| C16 | C15 | H35 | 108.5° | 109.5° |
| C16 | N17 | C18 | 119.6° | 114.6° |
| C16 | N17 | H1 | 120.2° | 122.7° |
| N17 | C18 | C19 | 105.5° | 108.5° |
| C18 | N17 | H1 | 120.2° | 122.7° |
| N17 | C18 | H2 | 110.5° | 109.6° |
| N17 | C18 | H3 | 110.5° | 109.6° |
| C18 | C19 | C20 | 108.6° | 109.5° |
| C19 | C18 | H2 | 110.4° | 109.6° |
| C19 | C18 | H3 | 110.4° | 109.6° |
| C18 | C19 | H4 | 109.7° | 109.5° |
| C18 | C19 | H5 | 109.7° | 109.5° |
| N10 | C09 | O24 | 120.6° | 120.5° |
| N10 | C09 | C04 | 114.3° | 119.0° |
| C09 | N10 | H28 | 120.1° | 121.9° |
| O24 | C09 | C04 | 125.2° | 120.5° |
| C19 | C20 | C21 | 114.8° | 109.5° |
| C20 | C19 | H4 | 109.7° | 109.4° |
| C20 | C19 | H5 | 109.7° | 109.5° |
| C19 | C20 | H6 | 108.1° | 109.5° |
| C19 | C20 | H7 | 108.1° | 109.5° |
| C09 | C04 | C05 | 109.7° | 109.5° |
| C09 | C04 | N03 | 109.5° | 109.5° |
| C09 | C04 | H18 | 108.8° | 109.5° |
| C04 | C05 | C06 | 112.3° | 109.5° |
| C05 | C04 | N03 | 109.6° | 109.5° |
| C05 | C04 | H18 | 109.1° | 109.5° |
| C04 | C05 | H19 | 108.7° | 109.5° |
| C04 | C05 | H20 | 108.7° | 109.5° |
| C05 | C06 | C07 | 109.9° | 109.5° |
| C05 | C06 | C08 | 114.6° | 109.5° |
| C06 | C05 | H19 | 108.8° | 109.5° |
| C06 | C05 | H20 | 108.8° | 109.5° |
| C05 | C06 | H21 | 106.7° | 109.5° |
| C04 | N03 | C02 | 117.6° | 120.0° |
| C04 | N03 | H17 | 121.2° | 120.0° |
| N03 | C04 | H18 | 110.1° | 109.5° |
| C20 | C21 | C22 | 108.3° | 109.8° |
| C21 | C20 | H6 | 108.1° | 109.5° |
| C21 | C20 | H7 | 108.1° | 109.5° |
| C20 | C21 | H8 | 109.8° | 109.5° |
| C20 | C21 | H9 | 109.8° | 109.5° |
| C07 | C06 | C08 | 111.6° | 109.5° |
| C07 | C06 | H21 | 106.7° | 109.4° |
| C06 | C07 | H22 | 109.5° | 109.4° |
| C06 | C07 | H23 | 109.5° | 109.5° |
| C06 | C07 | H24 | 109.5° | 109.5° |
| C21 | C22 | C26 | 109.0° | 109.8° |
| C22 | C21 | H8 | 109.8° | 109.5° |
| C22 | C21 | H9 | 109.8° | 109.2° |
| C21 | C22 | H10 | 109.6° | 109.4° |
| C21 | C22 | H11 | 109.6° | 109.5° |
| N03 | C02 | O01 | 121.3° | 120.0° |
| N03 | C02 | O25 | 113.2° | 120.0° |
| C02 | N03 | H17 | 121.2° | 119.9° |
| C08 | C06 | H21 | 106.8° | 109.5° |
| C06 | C08 | H25 | 109.5° | 109.5° |
| C06 | C08 | H26 | 109.5° | 109.4° |
| C06 | C08 | H27 | 109.5° | 109.5° |
| O01 | C02 | O25 | 125.4° | 120.0° |
| C02 | O25 | C26 | 116.9° | 117.0° |
| O25 | C26 | C22 | 107.4° | 109.5° |
| O25 | C26 | C27 | 109.8° | 109.5° |
| O25 | C26 | H12 | 109.8° | 109.5° |
| C22 | C26 | C27 | 113.2° | 109.5° |
| C26 | C22 | H10 | 109.6° | 109.3° |
| C26 | C22 | H11 | 109.6° | 109.3° |
| C22 | C26 | H12 | 108.3° | 109.5° |
| C26 | C27 | C33 | 116.5° | 120.0° |
| C26 | C27 | C28 | 122.6° | 120.0° |
| C27 | C26 | H12 | 108.3° | 109.4° |
| C33 | C27 | C28 | 120.9° | 120.0° |
| C27 | C33 | C31 | 119.4° | 120.0° |
| C27 | C33 | H16 | 120.3° | 120.0° |
| C27 | C28 | C29 | 119.5° | 120.0° |
| C27 | C28 | H13 | 120.3° | 120.0° |
| C33 | C31 | CL32 | 117.1° | 120.0° |
| C33 | C31 | C30 | 121.0° | 120.0° |
| C31 | C33 | H16 | 120.3° | 120.1° |
| C28 | C29 | C30 | 119.7° | 120.0° |
| C29 | C28 | H13 | 120.2° | 120.0° |
| C28 | C29 | H14 | 120.2° | 120.0° |
| CL32 | C31 | C30 | 121.9° | 120.0° |
| C31 | C30 | C29 | 119.6° | 120.0° |
| C31 | C30 | H15 | 120.2° | 119.9° |
| C30 | C29 | H14 | 120.2° | 120.0° |
| C29 | C30 | H15 | 120.2° | 120.0° |
| H2 | C18 | H3 | 109.5° | 109.8° |
| H4 | C19 | H5 | 109.5° | 109.5° |
| H6 | C20 | H7 | 109.5° | 109.4° |
| H8 | C21 | H9 | 109.5° | 109.4° |
| H10 | C22 | H11 | 109.4° | 109.5° |
| H19 | C05 | H20 | 109.5° | 109.4° |
| H22 | C07 | H23 | 109.5° | 109.5° |
| H22 | C07 | H24 | 109.4° | 109.5° |
| H23 | C07 | H24 | 109.5° | 109.5° |
| H25 | C08 | H26 | 109.5° | 109.5° |
| H25 | C08 | H27 | 109.5° | 109.5° |
| H26 | C08 | H27 | 109.4° | 109.4° |
| H30 | C12 | H31 | 109.5° | 109.5° |
| H32 | C14 | H33 | 109.4° | 109.5° |
| H34 | C15 | H35 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O13 | C12 | C11 | H30 | 119.6° | 119.9° |
| O13 | C12 | C11 | H31 | 119.6° | 120.0° |
| O13 | C12 | C11 | C14 | 173.4° | 175.0° |
| O13 | C12 | C11 | N10 | 66.0° | 65.7° |
| O13 | C12 | C11 | H29 | 53.2° | 54.6° |
| O13 | C12 | H30 | H31 | 121.2° | 120.0° |
| C12 | C11 | C14 | N10 | 119.5° | 119.7° |
| C12 | C11 | C14 | H29 | 120.1° | 120.5° |
| C12 | C11 | N10 | H29 | 118.5° | 120.4° |
| C12 | C11 | C14 | C15 | 180.0° | 129.7° |
| C12 | C11 | N10 | C09 | 129.3° | 104.2° |
| C12 | C11 | N10 | H28 | 50.7° | 75.9° |
| C11 | C12 | H30 | H31 | 121.2° | 120.1° |
| C12 | C11 | C14 | H32 | 59.5° | 110.4° |
| C12 | C11 | C14 | H33 | 59.5° | 9.6° |
| C11 | C12 | O13 | H36 | 180.0° | 180.0° |
| O23 | C16 | C15 | C14 | 7.9° | 8.1° |
| O23 | C16 | C15 | N17 | 179.9° | 180.0° |
| O23 | C16 | N17 | C18 | 1.7° | 0.1° |
| O23 | C16 | N17 | H1 | 178.3° | 180.0° |
| O23 | C16 | C15 | H34 | 112.7° | 128.1° |
| O23 | C16 | C15 | H35 | 128.4° | 111.9° |
| C14 | C11 | N10 | H29 | 119.8° | 119.8° |
| C11 | C14 | C15 | H32 | 120.5° | 119.9° |
| C11 | C14 | C15 | H33 | 120.5° | 120.0° |
| C11 | C14 | C15 | C16 | 74.0° | 123.2° |
| C14 | C11 | N10 | C09 | 109.0° | 136.1° |
| C14 | C11 | N10 | H28 | 71.0° | 43.8° |
| C14 | C11 | C12 | H30 | 67.0° | 55.1° |
| C14 | C11 | C12 | H31 | 53.8° | 65.0° |
| C11 | C14 | H32 | H33 | 118.5° | 120.0° |
| C11 | C14 | C15 | H34 | 46.6° | 116.8° |
| C11 | C14 | C15 | H35 | 165.5° | 3.2° |
| N10 | C11 | C14 | C15 | 60.4° | 110.6° |
| C11 | N10 | C09 | H28 | 180.0° | 179.9° |
| C11 | N10 | C09 | O24 | 0.6° | 0.1° |
| C11 | N10 | C09 | C04 | 179.6° | 179.8° |
| N10 | C11 | C12 | H30 | 53.6° | 174.3° |
| N10 | C11 | C12 | H31 | 174.5° | 54.3° |
| N10 | C11 | C14 | H32 | 60.1° | 9.3° |
| N10 | C11 | C14 | H33 | 179.1° | 129.4° |
| C14 | C15 | C16 | H34 | 120.6° | 120.0° |
| C14 | C15 | C16 | H35 | 120.5° | 120.0° |
| C14 | C15 | C16 | N17 | 172.2° | 171.8° |
| C15 | C14 | C11 | H29 | 60.0° | 9.2° |
| C15 | C14 | H32 | H33 | 118.5° | 120.0° |
| C14 | C15 | H34 | H35 | 118.3° | 120.0° |
| C15 | C16 | N17 | C18 | 178.2° | 179.9° |
| C15 | C16 | N17 | H1 | 1.8° | 0.1° |
| C16 | C15 | C14 | H32 | 165.6° | 3.3° |
| C16 | C15 | C14 | H33 | 46.6° | 116.8° |
| C16 | C15 | H34 | H35 | 118.3° | 120.0° |
| C16 | N17 | C18 | H1 | 180.0° | 180.0° |
| C16 | N17 | C18 | C19 | 95.5° | 107.3° |
| C16 | N17 | C18 | H2 | 145.1° | 12.4° |
| C16 | N17 | C18 | H3 | 23.8° | 133.1° |
| N17 | C16 | C15 | H34 | 67.2° | 51.9° |
| N17 | C16 | C15 | H35 | 51.7° | 68.2° |
| N17 | C18 | C19 | H2 | 119.4° | 119.7° |
| N17 | C18 | C19 | H3 | 119.4° | 119.7° |
| N17 | C18 | C19 | C20 | 61.5° | 115.0° |
| N17 | C18 | H2 | H3 | 121.9° | 120.5° |
| N17 | C18 | C19 | H4 | 178.7° | 125.0° |
| N17 | C18 | C19 | H5 | 58.4° | 5.0° |
| C18 | C19 | C20 | H4 | 119.9° | 120.0° |
| C18 | C19 | C20 | H5 | 119.9° | 120.1° |
| C18 | C19 | C20 | C21 | 168.1° | 145.3° |
| C19 | C18 | N17 | H1 | 84.5° | 72.7° |
| C19 | C18 | H2 | H3 | 121.8° | 120.5° |
| C18 | C19 | H4 | H5 | 120.4° | 120.0° |
| C18 | C19 | C20 | H6 | 47.3° | 25.3° |
| C18 | C19 | C20 | H7 | 71.1° | 94.7° |
| N10 | C09 | O24 | C04 | 179.8° | 179.9° |
| N10 | C09 | C04 | C05 | 95.4° | 100.3° |
| N10 | C09 | C04 | N03 | 144.3° | 139.7° |
| N10 | C09 | C04 | H18 | 23.8° | 19.6° |
| C09 | N10 | C11 | H29 | 10.8° | 16.2° |
| O24 | C09 | C04 | C05 | 84.4° | 79.6° |
| O24 | C09 | C04 | N03 | 35.9° | 40.4° |
| O24 | C09 | C04 | H18 | 156.4° | 160.4° |
| O24 | C09 | N10 | H28 | 179.5° | 179.8° |
| C19 | C20 | C21 | H6 | 120.8° | 120.0° |
| C19 | C20 | C21 | H7 | 120.8° | 120.0° |
| C19 | C20 | C21 | C22 | 170.0° | 101.7° |
| C20 | C19 | C18 | H2 | 57.9° | 4.7° |
| C20 | C19 | C18 | H3 | 179.2° | 125.3° |
| C20 | C19 | H4 | H5 | 120.4° | 120.0° |
| C19 | C20 | H6 | H7 | 117.6° | 120.0° |
| C19 | C20 | C21 | H8 | 70.2° | 138.1° |
| C19 | C20 | C21 | H9 | 50.1° | 18.2° |
| C09 | C04 | C05 | N03 | 120.3° | 120.0° |
| C09 | C04 | C05 | H18 | 119.1° | 120.0° |
| C09 | C04 | C05 | C06 | 178.8° | 176.3° |
| C09 | C04 | N03 | H18 | 119.6° | 120.0° |
| C09 | C04 | N03 | C02 | 59.5° | 61.4° |
| C09 | C04 | N03 | H17 | 120.5° | 118.7° |
| C09 | C04 | C05 | H19 | 60.8° | 63.7° |
| C09 | C04 | C05 | H20 | 58.4° | 56.3° |
| C04 | C09 | N10 | H28 | 0.4° | 0.3° |
| C04 | C05 | C06 | H19 | 120.4° | 120.1° |
| C04 | C05 | C06 | H20 | 120.4° | 120.0° |
| C05 | C04 | N03 | H18 | 120.1° | 120.0° |
| C04 | C05 | C06 | C07 | 173.9° | 174.1° |
| C05 | C04 | N03 | C02 | 179.9° | 178.6° |
| C04 | C05 | C06 | C08 | 59.5° | 65.8° |
| C05 | C04 | N03 | H17 | 0.1° | 1.2° |
| C04 | C05 | H19 | H20 | 118.7° | 120.0° |
| C04 | C05 | C06 | H21 | 58.5° | 54.2° |
| C06 | C05 | C04 | N03 | 60.9° | 63.7° |
| C05 | C06 | C07 | C08 | 128.2° | 120.0° |
| C05 | C06 | C07 | H21 | 115.4° | 120.0° |
| C05 | C06 | C08 | H21 | 118.0° | 120.0° |
| C06 | C05 | C04 | H18 | 59.7° | 56.3° |
| C06 | C05 | H19 | H20 | 118.7° | 120.0° |
| C05 | C06 | C07 | H22 | 180.0° | 56.4° |
| C05 | C06 | C07 | H23 | 60.0° | 176.4° |
| C05 | C06 | C07 | H24 | 60.0° | 63.6° |
| C05 | C06 | C08 | H25 | 180.0° | 60.0° |
| C05 | C06 | C08 | H26 | 60.0° | 180.0° |
| C05 | C06 | C08 | H27 | 60.0° | 60.1° |
| C04 | N03 | C02 | H17 | 180.0° | 179.9° |
| C04 | N03 | C02 | O01 | 16.2° | 43.9° |
| C04 | N03 | C02 | O25 | 163.1° | 136.5° |
| N03 | C04 | C05 | H19 | 59.5° | 56.3° |
| N03 | C04 | C05 | H20 | 178.6° | 176.2° |
| C20 | C21 | C22 | H8 | 119.8° | 120.2° |
| C20 | C21 | C22 | H9 | 119.8° | 120.0° |
| C20 | C21 | C22 | C26 | 70.3° | 152.2° |
| C21 | C20 | C19 | H4 | 72.1° | 94.7° |
| C21 | C20 | C19 | H5 | 48.2° | 25.2° |
| C21 | C20 | H6 | H7 | 117.6° | 120.0° |
| C20 | C21 | H8 | H9 | 120.5° | 120.0° |
| C20 | C21 | C22 | H10 | 49.6° | 87.8° |
| C20 | C21 | C22 | H11 | 169.7° | 32.2° |
| C07 | C06 | C08 | H21 | 116.3° | 120.0° |
| C07 | C06 | C05 | H19 | 53.4° | 54.1° |
| C07 | C06 | C05 | H20 | 65.7° | 65.9° |
| C06 | C07 | H22 | H23 | 120.0° | 120.0° |
| C06 | C07 | H22 | H24 | 120.0° | 120.0° |
| C06 | C07 | H23 | H24 | 120.0° | 120.0° |
| C07 | C06 | C08 | H25 | 54.3° | 180.0° |
| C07 | C06 | C08 | H26 | 65.7° | 60.0° |
| C07 | C06 | C08 | H27 | 174.3° | 60.0° |
| C21 | C22 | C26 | O25 | 56.5° | 176.4° |
| C21 | C22 | C26 | H10 | 119.9° | 120.1° |
| C21 | C22 | C26 | H11 | 119.9° | 120.1° |
| C21 | C22 | C26 | C27 | 177.8° | 63.6° |
| C22 | C21 | C20 | H6 | 49.2° | 18.3° |
| C22 | C21 | C20 | H7 | 69.3° | 138.3° |
| C22 | C21 | H8 | H9 | 120.5° | 119.6° |
| C21 | C22 | H10 | H11 | 120.2° | 120.0° |
| C21 | C22 | C26 | H12 | 62.0° | 56.3° |
| N03 | C02 | O01 | O25 | 179.2° | 179.7° |
| N03 | C02 | O25 | C26 | 172.9° | 179.5° |
| C02 | N03 | C04 | H18 | 60.1° | 58.6° |
| C08 | C06 | C05 | H19 | 180.0° | 174.1° |
| C08 | C06 | C05 | H20 | 60.9° | 54.2° |
| C08 | C06 | C07 | H22 | 51.7° | 63.6° |
| C08 | C06 | C07 | H23 | 171.8° | 56.4° |
| C08 | C06 | C07 | H24 | 68.2° | 176.4° |
| C06 | C08 | H25 | H26 | 120.0° | 120.0° |
| C06 | C08 | H25 | H27 | 120.0° | 120.0° |
| C06 | C08 | H26 | H27 | 120.0° | 120.0° |
| O01 | C02 | O25 | C26 | 7.8° | 0.1° |
| O01 | C02 | N03 | H17 | 163.8° | 136.2° |
| C02 | O25 | C26 | C22 | 151.0° | 21.6° |
| C02 | O25 | C26 | C27 | 85.6° | 98.4° |
| C02 | O25 | C26 | H12 | 33.4° | 141.6° |
| O25 | C02 | N03 | H17 | 17.0° | 43.4° |
| O25 | C26 | C22 | C27 | 121.3° | 120.0° |
| O25 | C26 | C22 | H12 | 118.6° | 120.0° |
| O25 | C26 | C27 | H12 | 119.9° | 120.0° |
| O25 | C26 | C27 | C33 | 107.2° | 145.0° |
| O25 | C26 | C27 | C28 | 73.5° | 34.7° |
| O25 | C26 | C22 | H10 | 176.5° | 63.6° |
| O25 | C26 | C22 | H11 | 63.4° | 56.3° |
| C22 | C26 | C27 | H12 | 120.1° | 120.0° |
| C22 | C26 | C27 | C33 | 132.8° | 95.0° |
| C22 | C26 | C27 | C28 | 46.4° | 85.3° |
| C26 | C22 | C21 | H8 | 169.9° | 32.0° |
| C26 | C22 | C21 | H9 | 49.5° | 87.8° |
| C26 | C22 | H10 | H11 | 120.3° | 119.7° |
| C26 | C27 | C33 | C28 | 179.3° | 179.7° |
| C26 | C27 | C33 | C31 | 179.8° | 179.8° |
| C26 | C27 | C28 | C29 | 179.6° | 180.0° |
| C27 | C26 | C22 | H10 | 62.2° | 56.4° |
| C27 | C26 | C22 | H11 | 57.9° | 176.3° |
| C26 | C27 | C28 | H13 | 0.4° | 0.1° |
| C26 | C27 | C33 | H16 | 0.2° | 0.0° |
| C27 | C33 | C31 | H16 | 180.0° | 179.7° |
| C33 | C27 | C28 | C29 | 0.3° | 0.3° |
| C27 | C33 | C31 | CL32 | 179.7° | 179.7° |
| C27 | C33 | C31 | C30 | 0.5° | 0.5° |
| C33 | C27 | C26 | H12 | 12.7° | 25.0° |
| C33 | C27 | C28 | H13 | 179.7° | 179.7° |
| C28 | C27 | C33 | C31 | 0.5° | 0.6° |
| C27 | C28 | C29 | H13 | 180.0° | 180.0° |
| C27 | C28 | C29 | C30 | 0.1° | 0.0° |
| C28 | C27 | C26 | H12 | 166.6° | 154.7° |
| C27 | C28 | C29 | H14 | 179.9° | 180.0° |
| C28 | C27 | C33 | H16 | 179.5° | 179.7° |
| C33 | C31 | CL32 | C30 | 179.7° | 179.8° |
| C33 | C31 | C30 | C29 | 0.3° | 0.2° |
| C33 | C31 | C30 | H15 | 179.7° | 179.7° |
| C28 | C29 | C30 | C31 | 0.1° | 0.1° |
| C28 | C29 | C30 | H14 | 180.0° | 179.9° |
| C28 | C29 | C30 | H15 | 179.9° | 180.0° |
| CL32 | C31 | C30 | C29 | 180.0° | 179.9° |
| CL32 | C31 | C30 | H15 | 0.0° | 0.0° |
| CL32 | C31 | C33 | H16 | 0.3° | 0.0° |
| C31 | C30 | C29 | H15 | 180.0° | 179.9° |
| C31 | C30 | C29 | H14 | 179.9° | 180.0° |
| C30 | C31 | C33 | H16 | 179.5° | 179.8° |
| C30 | C29 | C28 | H13 | 179.9° | 180.0° |
| H1 | N17 | C18 | H2 | 34.9° | 167.6° |
| H1 | N17 | C18 | H3 | 156.2° | 46.9° |
| H2 | C18 | C19 | H4 | 62.0° | 115.3° |
| H2 | C18 | C19 | H5 | 177.8° | 124.7° |
| H3 | C18 | C19 | H4 | 59.3° | 5.4° |
| H3 | C18 | C19 | H5 | 61.0° | 114.6° |
| H4 | C19 | C20 | H6 | 167.2° | 145.3° |
| H4 | C19 | C20 | H7 | 48.7° | 25.3° |
| H5 | C19 | C20 | H6 | 72.5° | 94.8° |
| H5 | C19 | C20 | H7 | 169.0° | 145.3° |
| H6 | C20 | C21 | H8 | 169.0° | 101.9° |
| H6 | C20 | C21 | H9 | 70.6° | 138.2° |
| H7 | C20 | C21 | H8 | 50.5° | 18.1° |
| H7 | C20 | C21 | H9 | 170.9° | 101.8° |
| H8 | C21 | C22 | H10 | 70.2° | 152.0° |
| H8 | C21 | C22 | H11 | 49.9° | 88.0° |
| H9 | C21 | C22 | H10 | 169.5° | 32.2° |
| H9 | C21 | C22 | H11 | 70.4° | 152.2° |
| H10 | C22 | C26 | H12 | 57.9° | 176.4° |
| H11 | C22 | C26 | H12 | 178.0° | 63.8° |
| H13 | C28 | C29 | H14 | 0.1° | 0.0° |
| H14 | C29 | C30 | H15 | 0.1° | 0.1° |
| H17 | N03 | C04 | H18 | 119.9° | 121.3° |
| H18 | C04 | C05 | H19 | 179.9° | 176.4° |
| H18 | C04 | C05 | H20 | 60.7° | 63.7° |
| H19 | C05 | C06 | H21 | 61.9° | 65.9° |
| H20 | C05 | C06 | H21 | 178.9° | 174.2° |
| H21 | C06 | C07 | H22 | 64.6° | 176.4° |
| H21 | C06 | C07 | H23 | 55.4° | 63.7° |
| H21 | C06 | C07 | H24 | 175.4° | 56.3° |
| H21 | C06 | C08 | H25 | 62.0° | 60.0° |
| H21 | C06 | C08 | H26 | 178.0° | 60.0° |
| H21 | C06 | C08 | H27 | 58.0° | 179.9° |
| H22 | C07 | H23 | H24 | 120.0° | 120.0° |
| H25 | C08 | H26 | H27 | 120.0° | 120.1° |
| H28 | N10 | C11 | H29 | 169.2° | 163.7° |
| H29 | C11 | C12 | H30 | 172.8° | 65.3° |
| H29 | C11 | C12 | H31 | 66.3° | 174.6° |
| H29 | C11 | C14 | H32 | 179.5° | 129.2° |
| H29 | C11 | C14 | H33 | 60.5° | 110.8° |
| H30 | C12 | O13 | H36 | 60.4° | 60.0° |
| H31 | C12 | O13 | H36 | 60.4° | 60.0° |
| H32 | C14 | C15 | H34 | 73.9° | 123.3° |
| H32 | C14 | C15 | H35 | 45.0° | 116.7° |
| H33 | C14 | C15 | H34 | 167.1° | 3.2° |
| H33 | C14 | C15 | H35 | 74.0° | 123.3° |
