V66
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O24 | C17 | doub | 1.21Å | 1.21Å | |
| C17 | N18 | sing | 1.36Å | 1.33Å | |
| C17 | C16 | sing | 1.51Å | 1.52Å | |
| N18 | C19 | sing | 1.48Å | 1.44Å | |
| C25 | O26 | sing | 1.43Å | 1.45Å | |
| C25 | C14 | sing | 1.53Å | 1.56Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C15 | C16 | sing | 1.53Å | 1.56Å | |
| C15 | C14 | sing | 1.53Å | 1.54Å | |
| C14 | N13 | sing | 1.48Å | 1.44Å | |
| C21 | C22 | sing | 1.51Å | 1.52Å | |
| C22 | C23 | sing | 1.53Å | 1.51Å | |
| N13 | C12 | sing | 1.37Å | 1.34Å | |
| C23 | C34 | sing | 1.51Å | 1.50Å | |
| O27 | C12 | doub | 1.21Å | 1.22Å | |
| C12 | C04 | sing | 1.51Å | 1.51Å | |
| C34 | N33 | doub | 1.30Å | 1.35Å | Aromatic |
| C34 | O35 | sing | 1.34Å | 1.36Å | Aromatic |
| N33 | N32 | sing | 1.29Å | 1.40Å | Aromatic |
| C04 | C05 | sing | 1.53Å | 1.53Å | |
| C04 | N03 | sing | 1.48Å | 1.44Å | |
| O01 | C02 | doub | 1.21Å | 1.22Å | |
| O35 | C31 | sing | 1.34Å | 1.37Å | Aromatic |
| C05 | C06 | sing | 1.53Å | 1.53Å | |
| N32 | C31 | doub | 1.30Å | 1.35Å | Aromatic |
| C02 | N03 | sing | 1.36Å | 1.32Å | |
| C02 | C28 | sing | 1.51Å | 1.50Å | |
| C31 | C30 | sing | 1.51Å | 1.50Å | |
| C29 | C28 | sing | 1.53Å | 1.52Å | |
| C29 | C30 | sing | 1.53Å | 1.52Å | |
| C11 | C06 | sing | 1.53Å | 1.52Å | |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C06 | C07 | sing | 1.53Å | 1.52Å | |
| C07 | C08 | sing | 1.53Å | 1.52Å | |
| C28 | N36 | sing | 1.47Å | 1.44Å | |
| N36 | C37 | sing | 1.35Å | 1.33Å | |
| C09 | C10 | sing | 1.53Å | 1.51Å | |
| C09 | C08 | sing | 1.53Å | 1.51Å | |
| C37 | O38 | sing | 1.35Å | 1.45Å | |
| C37 | O43 | doub | 1.22Å | 1.23Å | |
| O38 | C39 | sing | 1.45Å | 1.42Å | |
| C41 | C39 | sing | 1.53Å | 1.53Å | |
| C39 | C40 | sing | 1.53Å | 1.53Å | |
| C39 | C42 | sing | 1.53Å | 1.53Å | |
| N03 | H1 | sing | 0.97Å | 1.00Å | |
| C04 | H2 | sing | 1.09Å | 1.10Å | |
| C05 | H3 | sing | 1.09Å | 1.10Å | |
| C05 | H4 | sing | 1.09Å | 1.10Å | |
| C06 | H5 | sing | 1.09Å | 1.10Å | |
| C07 | H6 | sing | 1.09Å | 1.10Å | |
| C07 | H7 | sing | 1.09Å | 1.10Å | |
| C08 | H8 | sing | 1.09Å | 1.10Å | |
| C08 | H9 | sing | 1.09Å | 1.10Å | |
| C09 | H10 | sing | 1.09Å | 1.10Å | |
| C09 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| N13 | H16 | sing | 0.97Å | 1.00Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| N18 | H22 | sing | 0.97Å | 1.00Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C20 | H25 | sing | 1.09Å | 1.10Å | |
| C20 | H26 | sing | 1.09Å | 1.10Å | |
| C21 | H27 | sing | 1.09Å | 1.10Å | |
| C21 | H28 | sing | 1.09Å | 1.10Å | |
| C22 | H29 | sing | 1.09Å | 1.10Å | |
| C22 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| C23 | H32 | sing | 1.09Å | 1.10Å | |
| C25 | H33 | sing | 1.09Å | 1.10Å | |
| C25 | H34 | sing | 1.09Å | 1.10Å | |
| O26 | H35 | sing | 0.97Å | 0.95Å | |
| C28 | H36 | sing | 1.09Å | 1.10Å | |
| C29 | H37 | sing | 1.09Å | 1.10Å | |
| C29 | H38 | sing | 1.09Å | 1.10Å | |
| C30 | H39 | sing | 1.09Å | 1.10Å | |
| C30 | H40 | sing | 1.09Å | 1.10Å | |
| N36 | H41 | sing | 0.97Å | 1.00Å | |
| C40 | H42 | sing | 1.09Å | 1.10Å | |
| C40 | H43 | sing | 1.09Å | 1.10Å | |
| C40 | H44 | sing | 1.09Å | 1.10Å | |
| C41 | H45 | sing | 1.09Å | 1.10Å | |
| C41 | H46 | sing | 1.09Å | 1.10Å | |
| C41 | H47 | sing | 1.09Å | 1.10Å | |
| C42 | H48 | sing | 1.09Å | 1.10Å | |
| C42 | H49 | sing | 1.09Å | 1.10Å | |
| C42 | H50 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O24 | C17 | N18 | 115.7° | 120.5° |
| O24 | C17 | C16 | 122.2° | 120.5° |
| N18 | C17 | C16 | 122.1° | 119.0° |
| C17 | N18 | C19 | 127.5° | 116.5° |
| C17 | N18 | H22 | 116.2° | 121.8° |
| C17 | C16 | C15 | 111.5° | 109.5° |
| C17 | C16 | H20 | 108.9° | 109.5° |
| C17 | C16 | H21 | 108.9° | 109.4° |
| N18 | C19 | C20 | 109.6° | 108.8° |
| C19 | N18 | H22 | 116.3° | 121.8° |
| N18 | C19 | H23 | 109.4° | 109.6° |
| N18 | C19 | H24 | 109.4° | 109.6° |
| O26 | C25 | C14 | 91.0° | 109.5° |
| O26 | C25 | H33 | 113.9° | 109.5° |
| O26 | C25 | H34 | 113.9° | 109.5° |
| C25 | O26 | H35 | 109.5° | 114.0° |
| C25 | C14 | C15 | 112.5° | 109.7° |
| C25 | C14 | N13 | 110.8° | 109.6° |
| C25 | C14 | H17 | 106.6° | 109.7° |
| C14 | C25 | H33 | 113.9° | 109.5° |
| C14 | C25 | H34 | 113.9° | 109.5° |
| C19 | C20 | C21 | 112.2° | 109.5° |
| C20 | C19 | H23 | 109.4° | 109.5° |
| C20 | C19 | H24 | 109.4° | 109.7° |
| C19 | C20 | H25 | 108.8° | 109.5° |
| C19 | C20 | H26 | 108.8° | 109.5° |
| C20 | C21 | C22 | 108.5° | 108.7° |
| C21 | C20 | H25 | 108.8° | 109.5° |
| C21 | C20 | H26 | 108.8° | 109.5° |
| C20 | C21 | H27 | 109.7° | 109.5° |
| C20 | C21 | H28 | 109.7° | 109.4° |
| C16 | C15 | C14 | 117.7° | 109.4° |
| C16 | C15 | H18 | 107.4° | 109.4° |
| C16 | C15 | H19 | 107.4° | 109.5° |
| C15 | C16 | H20 | 109.0° | 109.5° |
| C15 | C16 | H21 | 109.0° | 109.5° |
| C15 | C14 | N13 | 111.6° | 108.6° |
| C15 | C14 | H17 | 106.8° | 109.6° |
| C14 | C15 | H18 | 107.4° | 109.5° |
| C14 | C15 | H19 | 107.4° | 109.5° |
| C14 | N13 | C12 | 124.0° | 115.2° |
| C14 | N13 | H16 | 118.0° | 122.4° |
| N13 | C14 | H17 | 108.1° | 109.6° |
| C21 | C22 | C23 | 109.3° | 108.6° |
| C22 | C21 | H27 | 109.7° | 110.1° |
| C22 | C21 | H28 | 109.7° | 109.6° |
| C21 | C22 | H29 | 109.5° | 109.5° |
| C21 | C22 | H30 | 109.5° | 109.5° |
| C22 | C23 | C34 | 108.3° | 109.4° |
| C23 | C22 | H29 | 109.5° | 109.8° |
| C23 | C22 | H30 | 109.5° | 110.0° |
| C22 | C23 | H31 | 109.8° | 109.5° |
| C22 | C23 | H32 | 109.7° | 109.5° |
| N13 | C12 | O27 | 123.8° | 120.7° |
| N13 | C12 | C04 | 117.2° | 118.5° |
| C12 | N13 | H16 | 118.0° | 122.4° |
| C23 | C34 | N33 | 126.1° | 126.4° |
| C23 | C34 | O35 | 125.2° | 126.2° |
| C34 | C23 | H31 | 109.7° | 109.5° |
| C34 | C23 | H32 | 109.8° | 109.5° |
| O27 | C12 | C04 | 118.9° | 120.7° |
| C12 | C04 | C05 | 110.9° | 109.6° |
| C12 | C04 | N03 | 107.1° | 108.9° |
| C12 | C04 | H2 | 108.4° | 109.6° |
| N33 | C34 | O35 | 108.8° | 107.4° |
| C34 | N33 | N32 | 107.5° | 109.4° |
| C34 | O35 | C31 | 107.6° | 106.4° |
| N33 | N32 | C31 | 107.3° | 109.4° |
| C05 | C04 | N03 | 113.0° | 109.6° |
| C04 | C05 | C06 | 116.6° | 109.5° |
| C05 | C04 | H2 | 108.1° | 109.6° |
| C04 | C05 | H3 | 107.7° | 109.4° |
| C04 | C05 | H4 | 107.7° | 109.5° |
| C04 | N03 | C02 | 121.2° | 116.4° |
| C04 | N03 | H1 | 119.4° | 121.8° |
| N03 | C04 | H2 | 109.2° | 109.6° |
| O01 | C02 | N03 | 123.2° | 120.5° |
| O01 | C02 | C28 | 120.3° | 120.5° |
| O35 | C31 | N32 | 108.9° | 107.4° |
| O35 | C31 | C30 | 125.8° | 126.2° |
| C05 | C06 | C11 | 111.6° | 109.5° |
| C05 | C06 | C07 | 106.6° | 109.5° |
| C06 | C05 | H3 | 107.6° | 109.5° |
| C06 | C05 | H4 | 107.6° | 109.5° |
| C05 | C06 | H5 | 109.2° | 109.5° |
| N32 | C31 | C30 | 125.3° | 126.4° |
| N03 | C02 | C28 | 116.5° | 118.9° |
| C02 | N03 | H1 | 119.4° | 121.8° |
| C02 | C28 | C29 | 109.1° | 109.6° |
| C02 | C28 | N36 | 109.4° | 109.5° |
| C02 | C28 | H36 | 108.6° | 109.4° |
| C31 | C30 | C29 | 105.0° | 109.4° |
| C31 | C30 | H39 | 110.6° | 109.4° |
| C31 | C30 | H40 | 110.6° | 109.5° |
| C28 | C29 | C30 | 112.6° | 109.4° |
| C29 | C28 | N36 | 112.0° | 109.5° |
| C29 | C28 | H36 | 108.4° | 109.4° |
| C28 | C29 | H37 | 108.7° | 109.4° |
| C28 | C29 | H38 | 108.7° | 109.5° |
| C30 | C29 | H37 | 108.7° | 109.4° |
| C30 | C29 | H38 | 108.7° | 109.5° |
| C29 | C30 | H39 | 110.6° | 109.5° |
| C29 | C30 | H40 | 110.6° | 109.5° |
| C06 | C11 | C10 | 111.3° | 109.5° |
| C11 | C06 | C07 | 110.8° | 109.5° |
| C11 | C06 | H5 | 109.3° | 109.5° |
| C06 | C11 | H14 | 109.0° | 109.4° |
| C06 | C11 | H15 | 109.0° | 109.4° |
| C11 | C10 | C09 | 109.3° | 109.5° |
| C11 | C10 | H12 | 109.5° | 109.5° |
| C11 | C10 | H13 | 109.5° | 109.5° |
| C10 | C11 | H14 | 109.0° | 109.5° |
| C10 | C11 | H15 | 109.0° | 109.5° |
| C06 | C07 | C08 | 113.0° | 109.5° |
| C07 | C06 | H5 | 109.3° | 109.4° |
| C06 | C07 | H6 | 108.6° | 109.4° |
| C06 | C07 | H7 | 108.6° | 109.5° |
| C07 | C08 | C09 | 111.6° | 109.4° |
| C08 | C07 | H6 | 108.6° | 109.5° |
| C08 | C07 | H7 | 108.6° | 109.5° |
| C07 | C08 | H8 | 109.0° | 109.5° |
| C07 | C08 | H9 | 109.0° | 109.4° |
| C28 | N36 | C37 | 122.6° | 120.0° |
| N36 | C28 | H36 | 109.3° | 109.5° |
| C28 | N36 | H41 | 118.7° | 120.0° |
| N36 | C37 | O38 | 113.9° | 120.0° |
| N36 | C37 | O43 | 125.1° | 120.0° |
| C37 | N36 | H41 | 118.7° | 120.0° |
| C10 | C09 | C08 | 107.0° | 109.5° |
| C10 | C09 | H10 | 110.1° | 109.4° |
| C10 | C09 | H11 | 110.1° | 109.5° |
| C09 | C10 | H12 | 109.5° | 109.5° |
| C09 | C10 | H13 | 109.5° | 109.5° |
| C09 | C08 | H8 | 109.0° | 109.5° |
| C09 | C08 | H9 | 109.0° | 109.5° |
| C08 | C09 | H10 | 110.1° | 109.5° |
| C08 | C09 | H11 | 110.1° | 109.5° |
| O38 | C37 | O43 | 121.0° | 120.0° |
| C37 | O38 | C39 | 121.7° | 117.0° |
| O38 | C39 | C41 | 108.2° | 109.5° |
| O38 | C39 | C40 | 111.1° | 109.5° |
| O38 | C39 | C42 | 106.1° | 109.5° |
| C41 | C39 | C40 | 108.7° | 109.5° |
| C41 | C39 | C42 | 111.7° | 109.5° |
| C39 | C41 | H45 | 109.5° | 109.5° |
| C39 | C41 | H46 | 109.5° | 109.5° |
| C39 | C41 | H47 | 109.5° | 109.4° |
| C40 | C39 | C42 | 111.0° | 109.5° |
| C39 | C40 | H42 | 109.5° | 109.5° |
| C39 | C40 | H43 | 109.5° | 109.5° |
| C39 | C40 | H44 | 109.4° | 109.5° |
| C39 | C42 | H48 | 109.5° | 109.5° |
| C39 | C42 | H49 | 109.4° | 109.4° |
| C39 | C42 | H50 | 109.5° | 109.4° |
| H3 | C05 | H4 | 109.5° | 109.5° |
| H6 | C07 | H7 | 109.5° | 109.5° |
| H8 | C08 | H9 | 109.4° | 109.5° |
| H10 | C09 | H11 | 109.5° | 109.5° |
| H12 | C10 | H13 | 109.5° | 109.5° |
| H14 | C11 | H15 | 109.5° | 109.5° |
| H18 | C15 | H19 | 109.5° | 109.5° |
| H20 | C16 | H21 | 109.5° | 109.5° |
| H23 | C19 | H24 | 109.5° | 109.6° |
| H25 | C20 | H26 | 109.4° | 109.5° |
| H27 | C21 | H28 | 109.5° | 109.5° |
| H29 | C22 | H30 | 109.5° | 109.4° |
| H31 | C23 | H32 | 109.5° | 109.5° |
| H33 | C25 | H34 | 109.5° | 109.4° |
| H37 | C29 | H38 | 109.4° | 109.5° |
| H39 | C30 | H40 | 109.5° | 109.5° |
| H42 | C40 | H43 | 109.4° | 109.5° |
| H42 | C40 | H44 | 109.5° | 109.5° |
| H43 | C40 | H44 | 109.5° | 109.4° |
| H45 | C41 | H46 | 109.5° | 109.4° |
| H45 | C41 | H47 | 109.4° | 109.5° |
| H46 | C41 | H47 | 109.5° | 109.5° |
| H48 | C42 | H49 | 109.5° | 109.5° |
| H48 | C42 | H50 | 109.5° | 109.5° |
| H49 | C42 | H50 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O24 | C17 | N18 | C16 | 179.8° | 179.9° |
| O24 | C17 | N18 | C19 | 178.3° | 0.2° |
| O24 | C17 | C16 | C15 | 1.9° | 56.7° |
| O24 | C17 | C16 | H20 | 122.3° | 63.3° |
| O24 | C17 | C16 | H21 | 118.4° | 176.7° |
| O24 | C17 | N18 | H22 | 1.6° | 179.9° |
| C17 | N18 | C19 | H22 | 180.0° | 179.9° |
| C17 | N18 | C19 | C20 | 179.9° | 167.3° |
| N18 | C17 | C16 | C15 | 177.9° | 123.4° |
| N18 | C17 | C16 | H20 | 57.5° | 116.5° |
| N18 | C17 | C16 | H21 | 61.8° | 3.4° |
| C17 | N18 | C19 | H23 | 60.1° | 47.5° |
| C17 | N18 | C19 | H24 | 59.9° | 72.8° |
| C16 | C17 | N18 | C19 | 1.5° | 180.0° |
| C17 | C16 | C15 | H20 | 120.3° | 120.0° |
| C17 | C16 | C15 | H21 | 120.3° | 120.0° |
| C17 | C16 | C15 | C14 | 174.9° | 158.4° |
| C17 | C16 | C15 | H18 | 53.7° | 38.4° |
| C17 | C16 | C15 | H19 | 63.9° | 81.6° |
| C17 | C16 | H20 | H21 | 119.0° | 120.0° |
| C16 | C17 | N18 | H22 | 178.6° | 0.1° |
| N18 | C19 | C20 | H23 | 120.0° | 119.8° |
| N18 | C19 | C20 | H24 | 120.0° | 119.9° |
| N18 | C19 | C20 | C21 | 124.4° | 109.2° |
| N18 | C19 | H23 | H24 | 120.0° | 120.3° |
| N18 | C19 | C20 | H25 | 4.0° | 130.8° |
| N18 | C19 | C20 | H26 | 115.2° | 10.8° |
| O26 | C25 | C14 | H33 | 116.7° | 120.0° |
| O26 | C25 | C14 | H34 | 116.8° | 120.0° |
| O26 | C25 | C14 | C15 | 176.6° | 175.7° |
| O26 | C25 | C14 | N13 | 50.8° | 65.0° |
| O26 | C25 | C14 | H17 | 66.6° | 55.3° |
| O26 | C25 | H33 | H34 | 128.7° | 120.0° |
| C25 | C14 | C15 | C16 | 138.0° | 93.8° |
| C25 | C14 | C15 | N13 | 125.4° | 119.9° |
| C25 | C14 | C15 | H17 | 116.7° | 120.5° |
| C25 | C14 | N13 | H17 | 116.5° | 120.4° |
| C25 | C14 | N13 | C12 | 130.9° | 132.9° |
| C25 | C14 | N13 | H16 | 49.1° | 47.0° |
| C25 | C14 | C15 | H18 | 16.9° | 146.3° |
| C25 | C14 | C15 | H19 | 100.8° | 26.3° |
| C14 | C25 | H33 | H34 | 128.8° | 120.0° |
| C14 | C25 | O26 | H35 | 180.0° | 180.0° |
| C19 | C20 | C21 | H25 | 120.5° | 120.0° |
| C19 | C20 | C21 | H26 | 120.4° | 120.0° |
| C19 | C20 | C21 | C22 | 91.8° | 130.0° |
| C20 | C19 | N18 | H22 | 0.1° | 12.6° |
| C20 | C19 | H23 | H24 | 120.0° | 120.4° |
| C19 | C20 | H25 | H26 | 118.7° | 120.0° |
| C19 | C20 | C21 | H27 | 28.1° | 109.6° |
| C19 | C20 | C21 | H28 | 148.4° | 10.3° |
| C20 | C21 | C22 | H27 | 119.9° | 119.9° |
| C20 | C21 | C22 | H28 | 119.8° | 119.6° |
| C20 | C21 | C22 | C23 | 169.8° | 154.3° |
| C21 | C20 | C19 | H23 | 115.6° | 10.6° |
| C21 | C20 | C19 | H24 | 4.4° | 130.9° |
| C21 | C20 | H25 | H26 | 118.7° | 120.0° |
| C20 | C21 | H27 | H28 | 120.4° | 120.0° |
| C20 | C21 | C22 | H29 | 70.3° | 34.4° |
| C20 | C21 | C22 | H30 | 49.8° | 85.6° |
| C16 | C15 | C14 | H18 | 121.2° | 119.9° |
| C16 | C15 | C14 | H19 | 121.2° | 120.0° |
| C16 | C15 | C14 | N13 | 96.6° | 146.4° |
| C16 | C15 | C14 | H17 | 21.3° | 26.7° |
| C16 | C15 | H18 | H19 | 116.3° | 120.0° |
| C15 | C16 | H20 | H21 | 119.1° | 120.0° |
| C15 | C14 | N13 | H17 | 117.2° | 119.7° |
| C15 | C14 | N13 | C12 | 102.8° | 107.2° |
| C15 | C14 | N13 | H16 | 77.2° | 72.9° |
| C14 | C15 | H18 | H19 | 116.3° | 120.0° |
| C14 | C15 | C16 | H20 | 64.8° | 81.6° |
| C14 | C15 | C16 | H21 | 54.6° | 38.4° |
| C15 | C14 | C25 | H33 | 59.9° | 55.8° |
| C15 | C14 | C25 | H34 | 66.6° | 64.2° |
| C14 | N13 | C12 | H16 | 180.0° | 180.0° |
| C14 | N13 | C12 | O27 | 1.7° | 1.5° |
| C14 | N13 | C12 | C04 | 177.0° | 178.4° |
| N13 | C14 | C15 | H18 | 142.2° | 26.4° |
| N13 | C14 | C15 | H19 | 24.6° | 93.6° |
| N13 | C14 | C25 | H33 | 65.9° | 175.0° |
| N13 | C14 | C25 | H34 | 167.6° | 55.0° |
| C21 | C22 | C23 | H29 | 120.0° | 119.7° |
| C21 | C22 | C23 | H30 | 120.0° | 119.9° |
| C21 | C22 | C23 | C34 | 89.9° | 140.5° |
| C22 | C21 | C20 | H25 | 147.7° | 110.0° |
| C22 | C21 | C20 | H26 | 28.6° | 10.0° |
| C22 | C21 | H27 | H28 | 120.4° | 120.6° |
| C21 | C22 | H29 | H30 | 120.1° | 120.0° |
| C21 | C22 | C23 | H31 | 29.9° | 20.5° |
| C21 | C22 | C23 | H32 | 150.3° | 99.6° |
| C22 | C23 | C34 | H31 | 119.8° | 120.0° |
| C22 | C23 | C34 | H32 | 119.8° | 119.9° |
| C22 | C23 | C34 | N33 | 82.0° | 163.8° |
| C22 | C23 | C34 | O35 | 97.4° | 16.3° |
| C23 | C22 | C21 | H27 | 49.9° | 34.3° |
| C23 | C22 | C21 | H28 | 70.4° | 86.2° |
| C23 | C22 | H29 | H30 | 120.1° | 120.8° |
| C22 | C23 | H31 | H32 | 120.5° | 120.0° |
| N13 | C12 | O27 | C04 | 178.7° | 179.9° |
| N13 | C12 | C04 | C05 | 95.5° | 74.8° |
| N13 | C12 | C04 | N03 | 140.7° | 165.3° |
| N13 | C12 | C04 | H2 | 23.0° | 45.5° |
| C12 | N13 | C14 | H17 | 14.4° | 12.5° |
| C23 | C34 | N33 | O35 | 179.5° | 179.9° |
| C23 | C34 | N33 | N32 | 179.5° | 179.9° |
| C23 | C34 | O35 | C31 | 179.8° | 179.9° |
| C34 | C23 | C22 | H29 | 150.2° | 99.8° |
| C34 | C23 | C22 | H30 | 30.1° | 20.6° |
| C34 | C23 | H31 | H32 | 120.6° | 120.0° |
| O27 | C12 | C04 | C05 | 85.7° | 105.1° |
| O27 | C12 | C04 | N03 | 38.1° | 14.7° |
| O27 | C12 | C04 | H2 | 155.8° | 134.6° |
| O27 | C12 | N13 | H16 | 178.3° | 178.5° |
| C12 | C04 | C05 | N03 | 120.3° | 119.5° |
| C12 | C04 | C05 | H2 | 118.6° | 120.3° |
| C12 | C04 | N03 | H2 | 117.2° | 119.9° |
| C12 | C04 | C05 | C06 | 165.9° | 175.5° |
| C12 | C04 | N03 | C02 | 71.4° | 96.2° |
| C12 | C04 | N03 | H1 | 108.6° | 83.8° |
| C12 | C04 | C05 | H3 | 73.1° | 64.4° |
| C12 | C04 | C05 | H4 | 44.9° | 55.5° |
| C04 | C12 | N13 | H16 | 3.0° | 1.5° |
| N33 | C34 | O35 | C31 | 0.3° | 0.0° |
| C34 | N33 | N32 | C31 | 0.2° | 0.0° |
| N33 | C34 | C23 | H31 | 158.2° | 76.2° |
| N33 | C34 | C23 | H32 | 37.8° | 43.9° |
| O35 | C34 | N33 | N32 | 0.1° | 0.0° |
| C34 | O35 | C31 | N32 | 0.5° | 0.0° |
| C34 | O35 | C31 | C30 | 179.2° | 180.0° |
| O35 | C34 | C23 | H31 | 22.5° | 103.7° |
| O35 | C34 | C23 | H32 | 142.8° | 136.2° |
| N33 | N32 | C31 | O35 | 0.4° | 0.0° |
| N33 | N32 | C31 | C30 | 179.2° | 180.0° |
| C05 | C04 | N03 | H2 | 120.4° | 120.2° |
| C04 | C05 | C06 | H3 | 121.0° | 120.0° |
| C04 | C05 | C06 | H4 | 121.1° | 120.0° |
| C05 | C04 | N03 | C02 | 166.2° | 143.9° |
| C04 | C05 | C06 | C11 | 51.5° | 65.0° |
| C04 | C05 | C06 | C07 | 172.6° | 175.0° |
| C05 | C04 | N03 | H1 | 13.8° | 36.1° |
| C04 | C05 | H3 | H4 | 116.8° | 120.0° |
| C04 | C05 | C06 | H5 | 69.5° | 55.0° |
| C04 | N03 | C02 | O01 | 1.5° | 7.0° |
| N03 | C04 | C05 | C06 | 73.8° | 65.0° |
| C04 | N03 | C02 | H1 | 180.0° | 180.0° |
| C04 | N03 | C02 | C28 | 177.4° | 173.2° |
| N03 | C04 | C05 | H3 | 47.2° | 55.1° |
| N03 | C04 | C05 | H4 | 165.2° | 175.0° |
| O01 | C02 | N03 | C28 | 178.9° | 179.8° |
| O01 | C02 | C28 | C29 | 78.9° | 61.8° |
| O01 | C02 | C28 | N36 | 44.0° | 58.3° |
| O01 | C02 | N03 | H1 | 178.5° | 173.0° |
| O01 | C02 | C28 | H36 | 163.1° | 178.3° |
| O35 | C31 | N32 | C30 | 178.8° | 180.0° |
| O35 | C31 | C30 | C29 | 95.2° | 18.6° |
| O35 | C31 | C30 | H39 | 24.1° | 138.6° |
| O35 | C31 | C30 | H40 | 145.6° | 101.4° |
| C05 | C06 | C11 | C07 | 118.6° | 120.0° |
| C05 | C06 | C11 | H5 | 120.9° | 120.1° |
| C05 | C06 | C11 | C10 | 171.0° | 180.0° |
| C05 | C06 | C07 | H5 | 117.9° | 120.0° |
| C05 | C06 | C07 | C08 | 170.0° | 180.0° |
| C06 | C05 | C04 | H2 | 47.3° | 55.2° |
| C06 | C05 | H3 | H4 | 116.7° | 120.0° |
| C05 | C06 | C07 | H6 | 69.5° | 60.0° |
| C05 | C06 | C07 | H7 | 49.4° | 60.0° |
| C05 | C06 | C11 | H14 | 50.8° | 60.0° |
| C05 | C06 | C11 | H15 | 68.7° | 60.0° |
| N32 | C31 | C30 | C29 | 83.4° | 161.3° |
| N32 | C31 | C30 | H39 | 157.3° | 41.3° |
| N32 | C31 | C30 | H40 | 35.9° | 78.7° |
| N03 | C02 | C28 | C29 | 100.0° | 118.0° |
| N03 | C02 | C28 | N36 | 137.1° | 122.0° |
| C02 | N03 | C04 | H2 | 45.8° | 23.7° |
| N03 | C02 | C28 | H36 | 17.9° | 2.0° |
| C02 | C28 | C29 | N36 | 121.3° | 120.0° |
| C02 | C28 | C29 | H36 | 118.1° | 120.0° |
| C02 | C28 | C29 | C30 | 170.3° | 125.9° |
| C02 | C28 | N36 | H36 | 118.7° | 119.9° |
| C02 | C28 | N36 | C37 | 125.1° | 142.0° |
| C28 | C02 | N03 | H1 | 2.6° | 6.8° |
| C02 | C28 | C29 | H37 | 49.9° | 6.0° |
| C02 | C28 | C29 | H38 | 69.2° | 114.1° |
| C02 | C28 | N36 | H41 | 54.9° | 38.1° |
| C31 | C30 | C29 | C28 | 170.2° | 153.6° |
| C31 | C30 | C29 | H39 | 119.3° | 119.9° |
| C31 | C30 | C29 | H40 | 119.3° | 120.0° |
| C31 | C30 | C29 | H37 | 49.8° | 33.6° |
| C31 | C30 | C29 | H38 | 69.3° | 86.4° |
| C31 | C30 | H39 | H40 | 122.1° | 120.0° |
| C28 | C29 | C30 | H37 | 120.5° | 119.9° |
| C28 | C29 | C30 | H38 | 120.5° | 120.0° |
| C29 | C28 | N36 | H36 | 120.1° | 119.9° |
| C29 | C28 | N36 | C37 | 113.7° | 97.9° |
| C28 | C29 | H37 | H38 | 118.5° | 120.1° |
| C28 | C29 | C30 | H39 | 50.9° | 86.5° |
| C28 | C29 | C30 | H40 | 70.5° | 33.6° |
| C29 | C28 | N36 | H41 | 66.2° | 82.0° |
| C30 | C29 | C28 | N36 | 49.1° | 5.9° |
| C30 | C29 | C28 | H36 | 71.6° | 114.1° |
| C30 | C29 | H37 | H38 | 118.6° | 120.0° |
| C29 | C30 | H39 | H40 | 122.1° | 120.1° |
| C06 | C11 | C10 | H14 | 120.3° | 120.0° |
| C06 | C11 | C10 | H15 | 120.3° | 120.0° |
| C11 | C06 | C07 | H5 | 120.5° | 120.0° |
| C11 | C06 | C07 | C08 | 48.3° | 60.0° |
| C06 | C11 | C10 | C09 | 61.9° | 60.0° |
| C11 | C06 | C05 | H3 | 172.5° | 175.0° |
| C11 | C06 | C05 | H4 | 69.6° | 55.0° |
| C11 | C06 | C07 | H6 | 168.8° | 60.0° |
| C11 | C06 | C07 | H7 | 72.2° | 180.0° |
| C06 | C11 | C10 | H12 | 178.2° | 180.0° |
| C06 | C11 | C10 | H13 | 58.1° | 60.0° |
| C06 | C11 | H14 | H15 | 119.2° | 119.9° |
| C10 | C11 | C06 | C07 | 52.4° | 60.0° |
| C11 | C10 | C09 | H12 | 120.0° | 120.0° |
| C11 | C10 | C09 | H13 | 120.0° | 120.0° |
| C11 | C10 | C09 | C08 | 64.5° | 60.0° |
| C10 | C11 | C06 | H5 | 68.0° | 60.0° |
| C11 | C10 | C09 | H10 | 55.1° | 60.0° |
| C11 | C10 | C09 | H11 | 175.9° | 180.0° |
| C11 | C10 | H12 | H13 | 120.1° | 120.0° |
| C10 | C11 | H14 | H15 | 119.2° | 120.1° |
| C06 | C07 | C08 | H6 | 120.5° | 120.0° |
| C06 | C07 | C08 | H7 | 120.5° | 120.0° |
| C06 | C07 | C08 | C09 | 53.8° | 60.0° |
| C07 | C06 | C05 | H3 | 66.4° | 55.0° |
| C07 | C06 | C05 | H4 | 51.5° | 65.0° |
| C06 | C07 | H6 | H7 | 118.4° | 120.0° |
| C06 | C07 | C08 | H8 | 66.6° | 180.0° |
| C06 | C07 | C08 | H9 | 174.1° | 60.0° |
| C07 | C06 | C11 | H14 | 67.8° | 60.0° |
| C07 | C06 | C11 | H15 | 172.7° | 180.0° |
| C07 | C08 | C09 | C10 | 60.6° | 60.0° |
| C07 | C08 | C09 | H8 | 120.3° | 120.0° |
| C07 | C08 | C09 | H9 | 120.3° | 119.9° |
| C08 | C07 | C06 | H5 | 72.1° | 60.0° |
| C08 | C07 | H6 | H7 | 118.4° | 120.0° |
| C07 | C08 | H8 | H9 | 119.0° | 120.0° |
| C07 | C08 | C09 | H10 | 59.0° | 60.0° |
| C07 | C08 | C09 | H11 | 179.8° | 180.0° |
| C28 | N36 | C37 | H41 | 180.0° | 179.9° |
| C28 | N36 | C37 | O38 | 176.1° | 180.0° |
| C28 | N36 | C37 | O43 | 2.8° | 0.4° |
| N36 | C28 | C29 | H37 | 71.4° | 114.1° |
| N36 | C28 | C29 | H38 | 169.6° | 125.9° |
| N36 | C37 | O38 | O43 | 179.0° | 179.7° |
| N36 | C37 | O38 | C39 | 152.3° | 179.7° |
| C37 | N36 | C28 | H36 | 6.4° | 22.0° |
| C10 | C09 | C08 | H10 | 119.6° | 120.0° |
| C10 | C09 | C08 | H11 | 119.6° | 120.0° |
| C10 | C09 | C08 | H8 | 59.7° | 180.0° |
| C10 | C09 | C08 | H9 | 179.1° | 59.9° |
| C10 | C09 | H10 | H11 | 121.2° | 120.0° |
| C09 | C10 | H12 | H13 | 120.1° | 120.0° |
| C09 | C10 | C11 | H14 | 58.4° | 60.0° |
| C09 | C10 | C11 | H15 | 177.9° | 180.0° |
| C09 | C08 | C07 | H6 | 174.3° | 60.0° |
| C09 | C08 | C07 | H7 | 66.8° | 180.0° |
| C09 | C08 | H8 | H9 | 119.0° | 120.0° |
| C08 | C09 | H10 | H11 | 121.2° | 120.0° |
| C08 | C09 | C10 | H12 | 175.5° | 180.0° |
| C08 | C09 | C10 | H13 | 55.5° | 60.0° |
| C37 | O38 | C39 | C41 | 154.0° | 180.0° |
| C37 | O38 | C39 | C40 | 34.8° | 60.0° |
| C37 | O38 | C39 | C42 | 86.0° | 60.0° |
| O38 | C37 | N36 | H41 | 3.9° | 0.1° |
| O43 | C37 | O38 | C39 | 28.7° | 0.1° |
| O43 | C37 | N36 | H41 | 177.2° | 179.7° |
| O38 | C39 | C41 | C40 | 120.8° | 120.0° |
| O38 | C39 | C41 | C42 | 116.4° | 120.0° |
| O38 | C39 | C40 | C42 | 117.8° | 120.0° |
| O38 | C39 | C40 | H42 | 180.0° | 60.0° |
| O38 | C39 | C40 | H43 | 60.0° | 180.0° |
| O38 | C39 | C40 | H44 | 60.0° | 60.0° |
| O38 | C39 | C41 | H45 | 180.0° | 60.0° |
| O38 | C39 | C41 | H46 | 60.0° | 180.0° |
| O38 | C39 | C41 | H47 | 60.0° | 60.0° |
| O38 | C39 | C42 | H48 | 180.0° | 60.0° |
| O38 | C39 | C42 | H49 | 60.0° | 180.0° |
| O38 | C39 | C42 | H50 | 60.0° | 60.0° |
| C41 | C39 | C40 | C42 | 123.3° | 120.0° |
| C41 | C39 | C40 | H42 | 61.0° | 60.0° |
| C41 | C39 | C40 | H43 | 59.0° | 60.0° |
| C41 | C39 | C40 | H44 | 179.0° | 180.0° |
| C39 | C41 | H45 | H46 | 120.0° | 120.0° |
| C39 | C41 | H45 | H47 | 120.0° | 120.0° |
| C39 | C41 | H46 | H47 | 120.0° | 120.0° |
| C41 | C39 | C42 | H48 | 62.3° | 180.0° |
| C41 | C39 | C42 | H49 | 177.6° | 60.0° |
| C41 | C39 | C42 | H50 | 57.6° | 60.0° |
| C39 | C40 | H42 | H43 | 120.0° | 120.0° |
| C39 | C40 | H42 | H44 | 120.0° | 120.0° |
| C39 | C40 | H43 | H44 | 120.0° | 120.0° |
| C40 | C39 | C41 | H45 | 59.2° | 180.0° |
| C40 | C39 | C41 | H46 | 179.2° | 60.0° |
| C40 | C39 | C41 | H47 | 60.8° | 60.0° |
| C40 | C39 | C42 | H48 | 59.2° | 60.0° |
| C40 | C39 | C42 | H49 | 60.8° | 60.0° |
| C40 | C39 | C42 | H50 | 179.2° | 180.0° |
| C42 | C39 | C40 | H42 | 62.2° | 180.0° |
| C42 | C39 | C40 | H43 | 177.8° | 60.0° |
| C42 | C39 | C40 | H44 | 57.8° | 60.0° |
| C42 | C39 | C41 | H45 | 63.7° | 60.0° |
| C42 | C39 | C41 | H46 | 56.3° | 60.0° |
| C42 | C39 | C41 | H47 | 176.4° | 180.0° |
| C39 | C42 | H48 | H49 | 120.0° | 120.0° |
| C39 | C42 | H48 | H50 | 120.0° | 120.0° |
| C39 | C42 | H49 | H50 | 120.0° | 120.0° |
| H1 | N03 | C04 | H2 | 134.2° | 156.3° |
| H2 | C04 | C05 | H3 | 168.3° | 175.3° |
| H2 | C04 | C05 | H4 | 73.8° | 64.8° |
| H3 | C05 | C06 | H5 | 51.6° | 64.9° |
| H4 | C05 | C06 | H5 | 169.5° | 175.0° |
| H5 | C06 | C07 | H6 | 48.3° | 180.0° |
| H5 | C06 | C07 | H7 | 167.3° | 60.0° |
| H5 | C06 | C11 | H14 | 171.7° | 180.0° |
| H5 | C06 | C11 | H15 | 52.2° | 60.0° |
| H6 | C07 | C08 | H8 | 53.9° | 60.0° |
| H6 | C07 | C08 | H9 | 65.4° | 179.9° |
| H7 | C07 | C08 | H8 | 172.9° | 60.0° |
| H7 | C07 | C08 | H9 | 53.6° | 60.1° |
| H8 | C08 | C09 | H10 | 179.3° | 60.0° |
| H8 | C08 | C09 | H11 | 59.9° | 60.0° |
| H9 | C08 | C09 | H10 | 61.3° | 179.9° |
| H9 | C08 | C09 | H11 | 59.5° | 60.0° |
| H10 | C09 | C10 | H12 | 64.9° | 60.0° |
| H10 | C09 | C10 | H13 | 175.1° | 180.0° |
| H11 | C09 | C10 | H12 | 56.0° | 60.0° |
| H11 | C09 | C10 | H13 | 64.1° | 60.0° |
| H12 | C10 | C11 | H14 | 61.6° | 60.1° |
| H12 | C10 | C11 | H15 | 57.9° | 60.0° |
| H13 | C10 | C11 | H14 | 178.3° | 180.0° |
| H13 | C10 | C11 | H15 | 62.2° | 60.0° |
| H16 | N13 | C14 | H17 | 165.6° | 167.4° |
| H17 | C14 | C15 | H18 | 99.8° | 93.2° |
| H17 | C14 | C15 | H19 | 142.5° | 146.8° |
| H17 | C14 | C25 | H33 | 176.6° | 64.7° |
| H17 | C14 | C25 | H34 | 50.1° | 175.3° |
| H18 | C15 | C16 | H20 | 174.0° | 158.4° |
| H18 | C15 | C16 | H21 | 66.6° | 81.5° |
| H19 | C15 | C16 | H20 | 56.4° | 38.4° |
| H19 | C15 | C16 | H21 | 175.8° | 158.5° |
| H22 | N18 | C19 | H23 | 120.0° | 132.4° |
| H22 | N18 | C19 | H24 | 120.1° | 107.3° |
| H23 | C19 | C20 | H25 | 124.0° | 109.4° |
| H23 | C19 | C20 | H26 | 4.9° | 130.6° |
| H24 | C19 | C20 | H25 | 116.0° | 10.9° |
| H24 | C19 | C20 | H26 | 124.8° | 109.1° |
| H25 | C20 | C21 | H27 | 92.4° | 10.4° |
| H25 | C20 | C21 | H28 | 27.9° | 130.3° |
| H26 | C20 | C21 | H27 | 148.5° | 130.4° |
| H26 | C20 | C21 | H28 | 91.2° | 109.7° |
| H27 | C21 | C22 | H29 | 169.9° | 85.6° |
| H27 | C21 | C22 | H30 | 70.1° | 154.5° |
| H28 | C21 | C22 | H29 | 49.6° | 154.0° |
| H28 | C21 | C22 | H30 | 169.6° | 34.0° |
| H29 | C22 | C23 | H31 | 90.0° | 140.1° |
| H29 | C22 | C23 | H32 | 30.3° | 20.1° |
| H30 | C22 | C23 | H31 | 149.9° | 99.4° |
| H30 | C22 | C23 | H32 | 89.7° | 140.6° |
| H33 | C25 | O26 | H35 | 63.2° | 60.0° |
| H34 | C25 | O26 | H35 | 63.2° | 59.9° |
| H36 | C28 | C29 | H37 | 167.9° | 125.9° |
| H36 | C28 | C29 | H38 | 48.9° | 5.9° |
| H36 | C28 | N36 | H41 | 173.6° | 158.1° |
| H37 | C29 | C30 | H39 | 69.5° | 153.6° |
| H37 | C29 | C30 | H40 | 169.0° | 86.4° |
| H38 | C29 | C30 | H39 | 171.4° | 33.5° |
| H38 | C29 | C30 | H40 | 50.0° | 153.6° |
| H42 | C40 | H43 | H44 | 120.0° | 120.0° |
| H45 | C41 | H46 | H47 | 120.0° | 120.0° |
| H48 | C42 | H49 | H50 | 120.0° | 120.0° |
