6P9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C12 | sing | 1.55Å | 1.52Å | |
| C13 | N09 | sing | 1.49Å | 1.51Å | |
| C12 | C11 | sing | 1.55Å | 1.53Å | |
| C08 | N09 | sing | 1.47Å | 1.51Å | |
| C08 | C07 | sing | 1.53Å | 1.54Å | |
| N09 | C10 | sing | 1.48Å | 1.49Å | |
| C11 | C10 | sing | 1.54Å | 1.53Å | |
| C05 | C06 | sing | 1.54Å | 1.54Å | |
| C05 | C04 | sing | 1.53Å | 1.53Å | |
| C37 | C38 | sing | 1.55Å | 1.52Å | |
| C37 | C36 | sing | 1.55Å | 1.53Å | |
| C07 | C06 | sing | 1.53Å | 1.52Å | |
| C38 | N34 | sing | 1.48Å | 1.49Å | |
| C06 | C14 | sing | 1.53Å | 1.55Å | |
| C04 | N03 | sing | 1.47Å | 1.47Å | |
| O01 | C02 | doub | 1.22Å | 1.20Å | |
| C36 | C35 | sing | 1.54Å | 1.54Å | |
| N34 | C35 | sing | 1.47Å | 1.48Å | |
| N34 | C33 | sing | 1.47Å | 1.46Å | |
| N03 | C02 | sing | 1.35Å | 1.42Å | |
| N03 | C15 | sing | 1.47Å | 1.44Å | |
| C02 | C16 | sing | 1.48Å | 1.53Å | |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| C33 | C32 | sing | 1.53Å | 1.55Å | |
| C43 | C16 | doub | 1.40Å | 1.40Å | Aromatic |
| C43 | C42 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C17 | sing | 1.40Å | 1.44Å | Aromatic |
| C32 | C31 | sing | 1.53Å | 1.50Å | |
| C39 | C31 | sing | 1.53Å | 1.52Å | |
| C39 | C40 | sing | 1.54Å | 1.53Å | |
| C42 | C26 | doub | 1.40Å | 1.38Å | Aromatic |
| C17 | N18 | sing | 1.39Å | 1.44Å | |
| C17 | C25 | doub | 1.39Å | 1.44Å | Aromatic |
| C31 | C30 | sing | 1.53Å | 1.52Å | |
| C40 | N28 | sing | 1.47Å | 1.46Å | |
| N18 | C19 | sing | 1.40Å | 1.46Å | |
| C26 | C25 | sing | 1.39Å | 1.43Å | Aromatic |
| C26 | C27 | sing | 1.48Å | 1.56Å | |
| C20 | C19 | doub | 1.39Å | 1.41Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
| C30 | C29 | sing | 1.53Å | 1.56Å | |
| N28 | C27 | sing | 1.35Å | 1.43Å | |
| N28 | C29 | sing | 1.47Å | 1.52Å | |
| C19 | C24 | sing | 1.39Å | 1.42Å | Aromatic |
| C27 | O41 | doub | 1.22Å | 1.20Å | |
| C21 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | H1 | sing | 1.09Å | 1.10Å | |
| C12 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C04 | H11 | sing | 1.09Å | 1.10Å | |
| C04 | H12 | sing | 1.09Å | 1.10Å | |
| C05 | H13 | sing | 1.09Å | 1.10Å | |
| C05 | H14 | sing | 1.09Å | 1.10Å | |
| C06 | H15 | sing | 1.09Å | 1.10Å | |
| C07 | H16 | sing | 1.09Å | 1.10Å | |
| C07 | H17 | sing | 1.09Å | 1.10Å | |
| C08 | H18 | sing | 1.09Å | 1.10Å | |
| C08 | H19 | sing | 1.09Å | 1.10Å | |
| N18 | H21 | sing | 0.97Å | 1.00Å | |
| C20 | H22 | sing | 1.08Å | 1.08Å | |
| C21 | H23 | sing | 1.08Å | 1.08Å | |
| C22 | H24 | sing | 1.08Å | 1.08Å | |
| C23 | H25 | sing | 1.08Å | 1.08Å | |
| C24 | H26 | sing | 1.08Å | 1.08Å | |
| C25 | H27 | sing | 1.08Å | 1.08Å | |
| C29 | H28 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H33 | sing | 1.09Å | 1.10Å | |
| C32 | H34 | sing | 1.09Å | 1.10Å | |
| C33 | H35 | sing | 1.09Å | 1.10Å | |
| C33 | H36 | sing | 1.09Å | 1.10Å | |
| C35 | H38 | sing | 1.09Å | 1.10Å | |
| C35 | H39 | sing | 1.09Å | 1.10Å | |
| C36 | H40 | sing | 1.09Å | 1.10Å | |
| C36 | H41 | sing | 1.09Å | 1.10Å | |
| C37 | H42 | sing | 1.09Å | 1.10Å | |
| C37 | H43 | sing | 1.09Å | 1.10Å | |
| C38 | H44 | sing | 1.09Å | 1.10Å | |
| C38 | H45 | sing | 1.09Å | 1.10Å | |
| C39 | H46 | sing | 1.09Å | 1.10Å | |
| C39 | H47 | sing | 1.09Å | 1.10Å | |
| C40 | H48 | sing | 1.09Å | 1.10Å | |
| C40 | H49 | sing | 1.09Å | 1.10Å | |
| C42 | H50 | sing | 1.08Å | 1.08Å | |
| C43 | H51 | sing | 1.08Å | 1.08Å | |
| C15 | H52 | sing | 1.09Å | 1.10Å | |
| C14 | H53 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C13 | N09 | 108.0° | 103.2° |
| C13 | C12 | C11 | 106.3° | 102.9° |
| C13 | C12 | H2 | 110.2° | 110.8° |
| C13 | C12 | H3 | 110.3° | 110.9° |
| C12 | C13 | H8 | 109.8° | 110.7° |
| C12 | C13 | H9 | 109.8° | 110.7° |
| C13 | N09 | C08 | 106.3° | 111.0° |
| C13 | N09 | C10 | 107.1° | 105.8° |
| N09 | C13 | H8 | 109.8° | 110.6° |
| N09 | C13 | H9 | 109.8° | 110.7° |
| C12 | C11 | C10 | 106.2° | 105.1° |
| C11 | C12 | H2 | 110.3° | 110.7° |
| C11 | C12 | H3 | 110.3° | 110.7° |
| C12 | C11 | H4 | 110.3° | 110.3° |
| C12 | C11 | H5 | 110.3° | 110.3° |
| N09 | C08 | C07 | 106.4° | 109.5° |
| C08 | N09 | C10 | 103.2° | 111.0° |
| N09 | C08 | H18 | 110.2° | 109.5° |
| N09 | C08 | H19 | 110.2° | 109.4° |
| C08 | C07 | C06 | 111.9° | 109.5° |
| C08 | C07 | H16 | 108.8° | 109.4° |
| C08 | C07 | H17 | 108.8° | 109.4° |
| C07 | C08 | H18 | 110.2° | 109.4° |
| C07 | C08 | H19 | 110.2° | 109.5° |
| N09 | C10 | C11 | 106.1° | 107.1° |
| N09 | C10 | H6 | 110.3° | 109.9° |
| N09 | C10 | H7 | 110.3° | 110.1° |
| C10 | C11 | H4 | 110.3° | 110.3° |
| C10 | C11 | H5 | 110.3° | 110.3° |
| C11 | C10 | H6 | 110.3° | 109.9° |
| C11 | C10 | H7 | 110.3° | 110.0° |
| C06 | C05 | C04 | 114.8° | 109.3° |
| C05 | C06 | C07 | 112.3° | 109.4° |
| C05 | C06 | C14 | 114.4° | 109.5° |
| C06 | C05 | H13 | 108.1° | 109.5° |
| C06 | C05 | H14 | 108.1° | 109.5° |
| C05 | C06 | H15 | 107.2° | 109.4° |
| C05 | C04 | N03 | 110.7° | 108.8° |
| C05 | C04 | H11 | 109.2° | 109.6° |
| C05 | C04 | H12 | 109.1° | 109.7° |
| C04 | C05 | H13 | 108.1° | 109.6° |
| C04 | C05 | H14 | 108.1° | 109.3° |
| C38 | C37 | C36 | 104.2° | 101.6° |
| C37 | C38 | N34 | 104.2° | 104.8° |
| C38 | C37 | H42 | 110.8° | 111.0° |
| C38 | C37 | H43 | 110.8° | 111.0° |
| C37 | C38 | H44 | 110.8° | 110.4° |
| C37 | C38 | H45 | 110.8° | 110.3° |
| C37 | C36 | C35 | 105.9° | 103.0° |
| C37 | C36 | H40 | 110.4° | 110.7° |
| C37 | C36 | H41 | 110.4° | 110.9° |
| C36 | C37 | H42 | 110.7° | 111.0° |
| C36 | C37 | H43 | 110.8° | 111.0° |
| C07 | C06 | C14 | 108.3° | 109.6° |
| C07 | C06 | H15 | 107.4° | 109.5° |
| C06 | C07 | H16 | 108.9° | 109.5° |
| C06 | C07 | H17 | 108.9° | 109.5° |
| C38 | N34 | C35 | 104.1° | 108.6° |
| C38 | N34 | C33 | 109.0° | 111.0° |
| N34 | C38 | H44 | 110.8° | 110.4° |
| N34 | C38 | H45 | 110.8° | 110.4° |
| C06 | C14 | C15 | 115.7° | 109.3° |
| C06 | C14 | H10 | 107.9° | 109.5° |
| C14 | C06 | H15 | 107.0° | 109.4° |
| C06 | C14 | H53 | 107.9° | 109.5° |
| C04 | N03 | C02 | 123.5° | 120.6° |
| C04 | N03 | C15 | 111.0° | 118.7° |
| N03 | C04 | H11 | 109.2° | 109.6° |
| N03 | C04 | H12 | 109.2° | 109.6° |
| O01 | C02 | N03 | 120.1° | 120.0° |
| O01 | C02 | C16 | 120.3° | 120.0° |
| C36 | C35 | N34 | 105.7° | 107.2° |
| C36 | C35 | H38 | 110.4° | 109.9° |
| C36 | C35 | H39 | 110.4° | 110.0° |
| C35 | C36 | H40 | 110.4° | 110.7° |
| C35 | C36 | H41 | 110.4° | 110.7° |
| C35 | N34 | C33 | 101.9° | 111.0° |
| N34 | C35 | H38 | 110.4° | 109.9° |
| N34 | C35 | H39 | 110.4° | 109.9° |
| N34 | C33 | C32 | 107.1° | 109.5° |
| N34 | C33 | H35 | 110.1° | 109.5° |
| N34 | C33 | H36 | 110.0° | 109.5° |
| C02 | N03 | C15 | 125.5° | 120.6° |
| N03 | C02 | C16 | 119.6° | 120.0° |
| N03 | C15 | C14 | 115.8° | 108.9° |
| N03 | C15 | H1 | 107.9° | 109.6° |
| N03 | C15 | H52 | 107.9° | 109.6° |
| C02 | C16 | C43 | 118.7° | 120.1° |
| C02 | C16 | C17 | 125.2° | 120.0° |
| C14 | C15 | H1 | 107.9° | 109.6° |
| C15 | C14 | H10 | 107.9° | 109.5° |
| C14 | C15 | H52 | 107.9° | 109.6° |
| C15 | C14 | H53 | 107.9° | 109.5° |
| C33 | C32 | C31 | 109.3° | 109.5° |
| C33 | C32 | H33 | 109.5° | 109.5° |
| C33 | C32 | H34 | 109.5° | 109.5° |
| C32 | C33 | H35 | 110.1° | 109.4° |
| C32 | C33 | H36 | 110.0° | 109.4° |
| C16 | C43 | C42 | 123.4° | 120.1° |
| C43 | C16 | C17 | 116.1° | 119.9° |
| C16 | C43 | H51 | 118.3° | 119.9° |
| C43 | C42 | C26 | 124.3° | 120.2° |
| C43 | C42 | H50 | 117.9° | 119.8° |
| C42 | C43 | H51 | 118.3° | 120.0° |
| C16 | C17 | N18 | 119.8° | 120.1° |
| C16 | C17 | C25 | 117.8° | 119.8° |
| C32 | C31 | C39 | 111.2° | 109.5° |
| C32 | C31 | C30 | 112.4° | 109.4° |
| C32 | C31 | H32 | 108.7° | 109.4° |
| C31 | C32 | H33 | 109.5° | 109.5° |
| C31 | C32 | H34 | 109.5° | 109.5° |
| C31 | C39 | C40 | 110.0° | 109.3° |
| C39 | C31 | C30 | 107.5° | 109.5° |
| C39 | C31 | H32 | 108.4° | 109.5° |
| C31 | C39 | H46 | 109.3° | 109.5° |
| C31 | C39 | H47 | 109.3° | 109.5° |
| C39 | C40 | N28 | 115.1° | 108.5° |
| C40 | C39 | H46 | 109.3° | 109.6° |
| C40 | C39 | H47 | 109.3° | 109.4° |
| C39 | C40 | H48 | 108.1° | 109.6° |
| C39 | C40 | H49 | 108.0° | 109.6° |
| C42 | C26 | C25 | 113.0° | 120.1° |
| C42 | C26 | C27 | 122.1° | 120.0° |
| C26 | C42 | H50 | 117.9° | 119.9° |
| N18 | C17 | C25 | 122.4° | 120.1° |
| C17 | N18 | C19 | 131.6° | 120.0° |
| C17 | N18 | H21 | 114.2° | 120.0° |
| C17 | C25 | C26 | 125.4° | 119.9° |
| C17 | C25 | H27 | 117.3° | 120.1° |
| C31 | C30 | C29 | 112.8° | 109.3° |
| C31 | C30 | H30 | 108.7° | 109.5° |
| C31 | C30 | H31 | 108.6° | 109.5° |
| C30 | C31 | H32 | 108.5° | 109.5° |
| C40 | N28 | C27 | 125.2° | 120.6° |
| C40 | N28 | C29 | 109.2° | 118.7° |
| N28 | C40 | H48 | 108.1° | 109.9° |
| N28 | C40 | H49 | 108.1° | 109.5° |
| N18 | C19 | C20 | 121.8° | 120.1° |
| N18 | C19 | C24 | 123.2° | 120.1° |
| C19 | N18 | H21 | 114.2° | 120.0° |
| C25 | C26 | C27 | 124.9° | 119.9° |
| C26 | C25 | H27 | 117.3° | 120.1° |
| C26 | C27 | N28 | 123.4° | 120.0° |
| C26 | C27 | O41 | 118.9° | 120.0° |
| C19 | C20 | C21 | 122.2° | 120.0° |
| C20 | C19 | C24 | 115.0° | 119.8° |
| C19 | C20 | H22 | 118.9° | 120.0° |
| C20 | C21 | C22 | 121.4° | 120.1° |
| C21 | C20 | H22 | 118.9° | 120.1° |
| C20 | C21 | H23 | 119.3° | 119.9° |
| C30 | C29 | N28 | 112.2° | 108.8° |
| C30 | C29 | H28 | 108.8° | 109.6° |
| C30 | C29 | H29 | 108.8° | 109.7° |
| C29 | C30 | H30 | 108.6° | 109.5° |
| C29 | C30 | H31 | 108.6° | 109.5° |
| C27 | N28 | C29 | 125.6° | 120.6° |
| N28 | C27 | O41 | 117.7° | 120.0° |
| N28 | C29 | H28 | 108.8° | 109.6° |
| N28 | C29 | H29 | 108.8° | 109.6° |
| C19 | C24 | C23 | 122.3° | 120.0° |
| C19 | C24 | H26 | 118.9° | 120.0° |
| C21 | C22 | C23 | 117.8° | 120.1° |
| C22 | C21 | H23 | 119.3° | 120.0° |
| C21 | C22 | H24 | 121.1° | 120.0° |
| C24 | C23 | C22 | 121.3° | 120.1° |
| C24 | C23 | H25 | 119.3° | 119.9° |
| C23 | C24 | H26 | 118.8° | 120.0° |
| C23 | C22 | H24 | 121.1° | 119.9° |
| C22 | C23 | H25 | 119.3° | 120.0° |
| H1 | C15 | H52 | 109.5° | 109.6° |
| H2 | C12 | H3 | 109.4° | 110.7° |
| H4 | C11 | H5 | 109.4° | 110.4° |
| H6 | C10 | H7 | 109.5° | 109.9° |
| H8 | C13 | H9 | 109.5° | 110.7° |
| H10 | C14 | H53 | 109.4° | 109.5° |
| H11 | C04 | H12 | 109.5° | 109.6° |
| H13 | C05 | H14 | 109.5° | 109.5° |
| H16 | C07 | H17 | 109.5° | 109.5° |
| H18 | C08 | H19 | 109.5° | 109.5° |
| H28 | C29 | H29 | 109.5° | 109.6° |
| H30 | C30 | H31 | 109.5° | 109.5° |
| H33 | C32 | H34 | 109.5° | 109.4° |
| H35 | C33 | H36 | 109.5° | 109.5° |
| H38 | C35 | H39 | 109.5° | 109.8° |
| H40 | C36 | H41 | 109.5° | 110.6° |
| H42 | C37 | H43 | 109.4° | 110.9° |
| H44 | C38 | H45 | 109.5° | 110.4° |
| H46 | C39 | H47 | 109.5° | 109.5° |
| H48 | C40 | H49 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C13 | N09 | H8 | 119.8° | 118.4° |
| C12 | C13 | N09 | H9 | 119.7° | 118.5° |
| C13 | C12 | C11 | H2 | 119.5° | 118.4° |
| C13 | C12 | C11 | H3 | 119.5° | 118.5° |
| C12 | C13 | N09 | C08 | 123.5° | 159.7° |
| C12 | C13 | N09 | C10 | 13.7° | 39.2° |
| C13 | C12 | C11 | C10 | 16.3° | 22.0° |
| C13 | C12 | H2 | H3 | 121.5° | 123.4° |
| C13 | C12 | C11 | H4 | 135.8° | 96.9° |
| C13 | C12 | C11 | H5 | 103.3° | 140.8° |
| C12 | C13 | H8 | H9 | 120.7° | 123.1° |
| N09 | C13 | C12 | C11 | 1.8° | 37.4° |
| C13 | N09 | C08 | C10 | 112.5° | 117.4° |
| C13 | N09 | C08 | C07 | 160.2° | 170.0° |
| C13 | N09 | C10 | C11 | 23.8° | 25.3° |
| N09 | C13 | C12 | H2 | 117.7° | 80.9° |
| N09 | C13 | C12 | H3 | 121.4° | 155.8° |
| C13 | N09 | C10 | H6 | 143.2° | 94.0° |
| C13 | N09 | C10 | H7 | 95.7° | 144.8° |
| N09 | C13 | H8 | H9 | 120.7° | 123.1° |
| C13 | N09 | C08 | H18 | 80.2° | 70.0° |
| C13 | N09 | C08 | H19 | 40.7° | 50.0° |
| C12 | C11 | C10 | N09 | 24.9° | 1.2° |
| C12 | C11 | C10 | H4 | 119.5° | 118.9° |
| C12 | C11 | C10 | H5 | 119.5° | 118.9° |
| C11 | C12 | H2 | H3 | 121.4° | 123.1° |
| C12 | C11 | H4 | H5 | 121.5° | 122.2° |
| C12 | C11 | C10 | H6 | 144.4° | 118.1° |
| C12 | C11 | C10 | H7 | 94.6° | 120.8° |
| C11 | C12 | C13 | H8 | 117.9° | 155.8° |
| C11 | C12 | C13 | H9 | 121.6° | 81.0° |
| N09 | C08 | C07 | H18 | 119.5° | 120.0° |
| N09 | C08 | C07 | H19 | 119.5° | 120.0° |
| C08 | N09 | C10 | C11 | 135.7° | 145.8° |
| N09 | C08 | C07 | C06 | 106.9° | 180.0° |
| C08 | N09 | C10 | H6 | 104.8° | 26.5° |
| C08 | N09 | C10 | H7 | 16.2° | 94.7° |
| C08 | N09 | C13 | H8 | 116.7° | 81.9° |
| C08 | N09 | C13 | H9 | 3.7° | 41.2° |
| N09 | C08 | C07 | H16 | 132.8° | 60.0° |
| N09 | C08 | C07 | H17 | 13.5° | 60.0° |
| N09 | C08 | H18 | H19 | 121.4° | 120.0° |
| C07 | C08 | N09 | C10 | 47.7° | 72.6° |
| C08 | C07 | C06 | C05 | 19.4° | 175.0° |
| C08 | C07 | C06 | H16 | 120.4° | 119.9° |
| C08 | C07 | C06 | H17 | 120.4° | 120.0° |
| C08 | C07 | C06 | C14 | 146.7° | 64.9° |
| C08 | C07 | C06 | H15 | 98.1° | 55.0° |
| C08 | C07 | H16 | H17 | 118.9° | 120.0° |
| C07 | C08 | H18 | H19 | 121.4° | 120.0° |
| N09 | C10 | C11 | H6 | 119.5° | 119.3° |
| N09 | C10 | C11 | H7 | 119.5° | 119.6° |
| N09 | C10 | C11 | H4 | 144.4° | 120.1° |
| N09 | C10 | C11 | H5 | 94.7° | 117.7° |
| N09 | C10 | H6 | H7 | 121.5° | 121.3° |
| C10 | N09 | C13 | H8 | 133.5° | 157.6° |
| C10 | N09 | C13 | H9 | 106.0° | 79.3° |
| C10 | N09 | C08 | H18 | 167.2° | 47.4° |
| C10 | N09 | C08 | H19 | 71.8° | 167.4° |
| C10 | C11 | C12 | H2 | 103.2° | 96.4° |
| C10 | C11 | C12 | H3 | 135.8° | 140.5° |
| C10 | C11 | H4 | H5 | 121.5° | 122.1° |
| C11 | C10 | H6 | H7 | 121.5° | 121.1° |
| C06 | C05 | C04 | H13 | 120.8° | 120.1° |
| C06 | C05 | C04 | H14 | 120.8° | 119.9° |
| C05 | C06 | C07 | C14 | 127.2° | 120.1° |
| C05 | C06 | C07 | H15 | 117.5° | 120.0° |
| C05 | C06 | C14 | H15 | 118.5° | 119.9° |
| C06 | C05 | C04 | N03 | 38.7° | 54.5° |
| C05 | C06 | C14 | C15 | 33.9° | 61.2° |
| C05 | C06 | C14 | H10 | 154.8° | 58.8° |
| C06 | C05 | C04 | H11 | 81.6° | 65.3° |
| C06 | C05 | C04 | H12 | 158.8° | 174.4° |
| C06 | C05 | H13 | H14 | 117.6° | 120.1° |
| C05 | C06 | C07 | H16 | 139.8° | 55.0° |
| C05 | C06 | C07 | H17 | 100.9° | 65.0° |
| C05 | C06 | C14 | H53 | 87.0° | 178.8° |
| C04 | C05 | C06 | C07 | 134.7° | 178.6° |
| C04 | C05 | C06 | C14 | 10.8° | 61.2° |
| C05 | C04 | N03 | H11 | 120.2° | 119.8° |
| C05 | C04 | N03 | H12 | 120.2° | 119.9° |
| C05 | C04 | N03 | C02 | 112.2° | 126.4° |
| C05 | C04 | N03 | C15 | 68.3° | 53.7° |
| C05 | C04 | H11 | H12 | 119.4° | 120.4° |
| C04 | C05 | H13 | H14 | 117.6° | 119.9° |
| C04 | C05 | C06 | H15 | 107.6° | 58.7° |
| C38 | C37 | C36 | H42 | 119.2° | 118.1° |
| C38 | C37 | C36 | H43 | 119.2° | 118.1° |
| C37 | C38 | N34 | H44 | 119.1° | 118.8° |
| C37 | C38 | N34 | H45 | 119.2° | 118.8° |
| C38 | C37 | C36 | C35 | 12.9° | 35.7° |
| C37 | C38 | N34 | C35 | 40.8° | 24.1° |
| C37 | C38 | N34 | C33 | 149.0° | 146.4° |
| C38 | C37 | C36 | H40 | 106.5° | 154.1° |
| C38 | C37 | C36 | H41 | 132.3° | 82.8° |
| C38 | C37 | H42 | H43 | 122.4° | 123.9° |
| C37 | C38 | H44 | H45 | 122.5° | 122.3° |
| C36 | C37 | C38 | N34 | 32.8° | 37.1° |
| C37 | C36 | C35 | H40 | 119.4° | 118.4° |
| C37 | C36 | C35 | H41 | 119.5° | 118.6° |
| C37 | C36 | C35 | N34 | 11.8° | 22.3° |
| C37 | C36 | C35 | H38 | 107.7° | 97.1° |
| C37 | C36 | C35 | H39 | 131.1° | 141.8° |
| C37 | C36 | H40 | H41 | 121.7° | 123.3° |
| C36 | C37 | H42 | H43 | 122.4° | 123.8° |
| C36 | C37 | C38 | H44 | 152.0° | 81.7° |
| C36 | C37 | C38 | H45 | 86.3° | 155.9° |
| C07 | C06 | C14 | H15 | 115.5° | 120.0° |
| C07 | C06 | C14 | C15 | 160.0° | 178.7° |
| C07 | C06 | C14 | H10 | 79.1° | 61.3° |
| C07 | C06 | C05 | H13 | 13.9° | 58.5° |
| C07 | C06 | C05 | H14 | 104.5° | 61.6° |
| C06 | C07 | H16 | H17 | 118.9° | 120.1° |
| C06 | C07 | C08 | H18 | 12.7° | 60.0° |
| C06 | C07 | C08 | H19 | 133.6° | 60.0° |
| C07 | C06 | C14 | H53 | 39.0° | 58.7° |
| C38 | N34 | C35 | C36 | 32.3° | 1.0° |
| C38 | N34 | C35 | C33 | 113.4° | 122.2° |
| C38 | N34 | C33 | C32 | 177.3° | 69.2° |
| C38 | N34 | C33 | H35 | 63.0° | 170.9° |
| C38 | N34 | C33 | H36 | 57.7° | 50.8° |
| C38 | N34 | C35 | H38 | 87.1° | 120.4° |
| C38 | N34 | C35 | H39 | 151.7° | 118.6° |
| N34 | C38 | C37 | H42 | 152.0° | 81.0° |
| N34 | C38 | C37 | H43 | 86.4° | 155.2° |
| N34 | C38 | H44 | H45 | 122.4° | 122.4° |
| C06 | C14 | C15 | N03 | 6.8° | 54.7° |
| C06 | C14 | C15 | H10 | 120.9° | 119.9° |
| C06 | C14 | C15 | H53 | 120.9° | 120.0° |
| C06 | C14 | C15 | H1 | 127.7° | 65.2° |
| C06 | C14 | H10 | H53 | 117.1° | 120.1° |
| C14 | C06 | C05 | H13 | 110.0° | 178.7° |
| C14 | C06 | C05 | H14 | 131.6° | 58.6° |
| C14 | C06 | C07 | H16 | 93.0° | 175.1° |
| C14 | C06 | C07 | H17 | 26.3° | 55.1° |
| C06 | C14 | C15 | H52 | 114.1° | 174.6° |
| C04 | N03 | C02 | O01 | 0.6° | 173.5° |
| C04 | N03 | C02 | C15 | 179.4° | 180.0° |
| C04 | N03 | C02 | C16 | 179.7° | 6.5° |
| C04 | N03 | C15 | C14 | 44.2° | 53.7° |
| C04 | N03 | C15 | H1 | 76.7° | 66.2° |
| N03 | C04 | H11 | H12 | 119.4° | 120.3° |
| N03 | C04 | C05 | H13 | 159.5° | 174.6° |
| N03 | C04 | C05 | H14 | 82.1° | 65.3° |
| C04 | N03 | C15 | H52 | 165.1° | 173.6° |
| O01 | C02 | N03 | C16 | 179.1° | 180.0° |
| O01 | C02 | N03 | C15 | 180.0° | 6.5° |
| O01 | C02 | C16 | C43 | 107.0° | 58.3° |
| O01 | C02 | C16 | C17 | 73.1° | 121.4° |
| C36 | C35 | N34 | H38 | 119.4° | 119.4° |
| C36 | C35 | N34 | H39 | 119.4° | 119.6° |
| C36 | C35 | N34 | C33 | 145.7° | 123.2° |
| C36 | C35 | H38 | H39 | 121.7° | 121.2° |
| C35 | C36 | H40 | H41 | 121.6° | 123.1° |
| C35 | C36 | C37 | H42 | 132.1° | 82.4° |
| C35 | C36 | C37 | H43 | 106.3° | 153.8° |
| C35 | N34 | C33 | C32 | 67.7° | 170.0° |
| C35 | N34 | C33 | H35 | 172.7° | 50.0° |
| C35 | N34 | C33 | H36 | 52.0° | 70.0° |
| N34 | C35 | H38 | H39 | 121.8° | 121.0° |
| N34 | C35 | C36 | H40 | 131.2° | 140.7° |
| N34 | C35 | C36 | H41 | 107.7° | 96.3° |
| C35 | N34 | C38 | H44 | 159.9° | 94.7° |
| C35 | N34 | C38 | H45 | 78.4° | 142.9° |
| N34 | C33 | C32 | H35 | 119.6° | 120.0° |
| N34 | C33 | C32 | H36 | 119.6° | 120.0° |
| N34 | C33 | C32 | C31 | 171.8° | 180.0° |
| N34 | C33 | C32 | H33 | 68.2° | 60.0° |
| N34 | C33 | C32 | H34 | 51.8° | 59.9° |
| N34 | C33 | H35 | H36 | 121.1° | 120.1° |
| C33 | N34 | C35 | H38 | 26.3° | 117.3° |
| C33 | N34 | C35 | H39 | 94.9° | 3.6° |
| C33 | N34 | C38 | H44 | 91.9° | 27.5° |
| C33 | N34 | C38 | H45 | 29.8° | 94.9° |
| C02 | N03 | C15 | C14 | 136.4° | 126.3° |
| N03 | C02 | C16 | C43 | 72.1° | 121.7° |
| N03 | C02 | C16 | C17 | 107.9° | 58.6° |
| C02 | N03 | C15 | H1 | 102.7° | 113.8° |
| C02 | N03 | C04 | H11 | 127.6° | 113.8° |
| C02 | N03 | C04 | H12 | 7.9° | 6.5° |
| C02 | N03 | C15 | H52 | 15.5° | 6.5° |
| C15 | N03 | C02 | C16 | 0.9° | 173.5° |
| N03 | C15 | C14 | H1 | 120.9° | 119.9° |
| N03 | C15 | C14 | H52 | 120.9° | 119.8° |
| N03 | C15 | H1 | H52 | 117.1° | 120.3° |
| N03 | C15 | C14 | H10 | 127.7° | 65.2° |
| C15 | N03 | C04 | H11 | 51.9° | 66.2° |
| C15 | N03 | C04 | H12 | 171.5° | 173.5° |
| N03 | C15 | C14 | H53 | 114.1° | 174.7° |
| C02 | C16 | C43 | C17 | 179.9° | 179.7° |
| C02 | C16 | C43 | C42 | 179.8° | 179.7° |
| C02 | C16 | C17 | N18 | 0.1° | 0.0° |
| C02 | C16 | C17 | C25 | 179.9° | 180.0° |
| C02 | C16 | C43 | H51 | 0.2° | 0.0° |
| C14 | C15 | H1 | H52 | 117.1° | 120.3° |
| C15 | C14 | H10 | H53 | 117.2° | 120.1° |
| C15 | C14 | C06 | H15 | 84.6° | 58.7° |
| C33 | C32 | C31 | H33 | 120.0° | 120.0° |
| C33 | C32 | C31 | H34 | 120.0° | 120.1° |
| C33 | C32 | C31 | C39 | 62.1° | 65.0° |
| C33 | C32 | C31 | C30 | 177.3° | 175.0° |
| C33 | C32 | C31 | H32 | 57.2° | 55.1° |
| C33 | C32 | H33 | H34 | 120.1° | 120.0° |
| C32 | C33 | H35 | H36 | 121.1° | 119.9° |
| C16 | C43 | C42 | H51 | 180.0° | 179.7° |
| C16 | C43 | C42 | C26 | 0.2° | 0.6° |
| C43 | C16 | C17 | N18 | 179.9° | 179.7° |
| C43 | C16 | C17 | C25 | 0.2° | 0.3° |
| C16 | C43 | C42 | H50 | 179.8° | 179.8° |
| C42 | C43 | C16 | C17 | 0.1° | 0.6° |
| C43 | C42 | C26 | H50 | 180.0° | 179.7° |
| C43 | C42 | C26 | C25 | 0.7° | 0.3° |
| C43 | C42 | C26 | C27 | 179.2° | 179.7° |
| C16 | C17 | N18 | C25 | 179.8° | 179.9° |
| C16 | C17 | N18 | C19 | 174.7° | 75.1° |
| C16 | C17 | C25 | C26 | 0.7° | 0.0° |
| C16 | C17 | N18 | H21 | 5.3° | 104.9° |
| C16 | C17 | C25 | H27 | 179.3° | 180.0° |
| C17 | C16 | C43 | H51 | 179.9° | 179.7° |
| C32 | C31 | C39 | C30 | 123.5° | 120.0° |
| C32 | C31 | C39 | H32 | 119.4° | 120.0° |
| C32 | C31 | C39 | C40 | 179.2° | 178.5° |
| C32 | C31 | C30 | H32 | 120.2° | 119.9° |
| C32 | C31 | C30 | C29 | 178.9° | 178.6° |
| C32 | C31 | C30 | H30 | 60.6° | 61.5° |
| C32 | C31 | C30 | H31 | 58.5° | 58.7° |
| C31 | C32 | H33 | H34 | 120.1° | 120.0° |
| C31 | C32 | C33 | H35 | 52.2° | 60.0° |
| C31 | C32 | C33 | H36 | 68.6° | 60.0° |
| C32 | C31 | C39 | H46 | 60.7° | 61.4° |
| C32 | C31 | C39 | H47 | 59.1° | 58.7° |
| C31 | C39 | C40 | H46 | 120.1° | 120.0° |
| C31 | C39 | C40 | H47 | 120.1° | 119.8° |
| C39 | C31 | C30 | H32 | 117.1° | 120.1° |
| C31 | C39 | C40 | N28 | 60.2° | 54.9° |
| C39 | C31 | C30 | C29 | 56.2° | 61.4° |
| C39 | C31 | C30 | H30 | 176.7° | 58.5° |
| C39 | C31 | C30 | H31 | 64.2° | 178.7° |
| C39 | C31 | C32 | H33 | 177.9° | 55.0° |
| C39 | C31 | C32 | H34 | 57.9° | 175.0° |
| C31 | C39 | H46 | H47 | 119.8° | 120.1° |
| C31 | C39 | C40 | H48 | 179.0° | 65.1° |
| C31 | C39 | C40 | H49 | 60.7° | 174.5° |
| C40 | C39 | C31 | C30 | 57.3° | 61.6° |
| C39 | C40 | N28 | H48 | 120.8° | 119.8° |
| C39 | C40 | N28 | H49 | 120.8° | 119.6° |
| C39 | C40 | N28 | C27 | 125.2° | 126.4° |
| C39 | C40 | N28 | C29 | 55.0° | 53.9° |
| C40 | C39 | C31 | H32 | 59.8° | 58.5° |
| C40 | C39 | H46 | H47 | 119.7° | 120.0° |
| C39 | C40 | H48 | H49 | 117.4° | 120.4° |
| C42 | C26 | C25 | C17 | 1.0° | 0.0° |
| C42 | C26 | C25 | C27 | 178.5° | 180.0° |
| C42 | C26 | C27 | N28 | 87.1° | 140.8° |
| C42 | C26 | C27 | O41 | 91.9° | 39.1° |
| C42 | C26 | C25 | H27 | 179.1° | 180.0° |
| C26 | C42 | C43 | H51 | 179.8° | 179.7° |
| C17 | N18 | C19 | H21 | 180.0° | 180.0° |
| N18 | C17 | C25 | C26 | 179.5° | 180.0° |
| C17 | N18 | C19 | C20 | 141.0° | 4.2° |
| C17 | N18 | C19 | C24 | 39.6° | 175.5° |
| N18 | C17 | C25 | H27 | 0.5° | 0.0° |
| C25 | C17 | N18 | C19 | 5.5° | 105.0° |
| C17 | C25 | C26 | H27 | 180.0° | 180.0° |
| C17 | C25 | C26 | C27 | 179.5° | 179.9° |
| C25 | C17 | N18 | H21 | 174.5° | 75.0° |
| C31 | C30 | C29 | H30 | 120.5° | 119.9° |
| C31 | C30 | C29 | H31 | 120.5° | 120.0° |
| C31 | C30 | C29 | N28 | 54.1° | 54.7° |
| C31 | C30 | C29 | H28 | 66.3° | 174.4° |
| C31 | C30 | C29 | H29 | 174.5° | 65.2° |
| C31 | C30 | H30 | H31 | 118.5° | 120.2° |
| C30 | C31 | C32 | H33 | 57.3° | 65.0° |
| C30 | C31 | C32 | H34 | 62.7° | 54.9° |
| C30 | C31 | C39 | H46 | 62.7° | 58.5° |
| C30 | C31 | C39 | H47 | 177.4° | 178.7° |
| C40 | N28 | C27 | C26 | 0.9° | 5.4° |
| C40 | N28 | C29 | C30 | 50.6° | 53.9° |
| C40 | N28 | C27 | C29 | 179.8° | 179.6° |
| C40 | N28 | C27 | O41 | 179.9° | 174.5° |
| C40 | N28 | C29 | H28 | 69.8° | 173.7° |
| C40 | N28 | C29 | H29 | 171.0° | 66.0° |
| N28 | C40 | C39 | H46 | 59.9° | 65.2° |
| N28 | C40 | C39 | H47 | 179.7° | 174.7° |
| N28 | C40 | H48 | H49 | 117.5° | 120.5° |
| N18 | C19 | C20 | C24 | 179.5° | 179.7° |
| N18 | C19 | C20 | C21 | 179.8° | 180.0° |
| N18 | C19 | C24 | C23 | 180.0° | 179.7° |
| N18 | C19 | C20 | H22 | 0.2° | 0.0° |
| N18 | C19 | C24 | H26 | 0.0° | 0.0° |
| C25 | C26 | C27 | N28 | 91.3° | 39.1° |
| C25 | C26 | C27 | O41 | 89.8° | 140.9° |
| C25 | C26 | C42 | H50 | 179.3° | 179.9° |
| C26 | C27 | N28 | O41 | 179.0° | 179.9° |
| C26 | C27 | N28 | C29 | 179.3° | 174.2° |
| C27 | C26 | C25 | H27 | 0.5° | 0.1° |
| C27 | C26 | C42 | H50 | 0.8° | 0.0° |
| C19 | C20 | C21 | H22 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 0.0° | 0.0° |
| C20 | C19 | C24 | C23 | 0.5° | 0.6° |
| C20 | C19 | N18 | H21 | 39.0° | 175.8° |
| C19 | C20 | C21 | H23 | 180.0° | 180.0° |
| C20 | C19 | C24 | H26 | 179.5° | 179.7° |
| C21 | C20 | C19 | C24 | 0.3° | 0.3° |
| C20 | C21 | C22 | H23 | 180.0° | 179.9° |
| C20 | C21 | C22 | C23 | 0.1° | 0.0° |
| C20 | C21 | C22 | H24 | 179.9° | 180.0° |
| C30 | C29 | N28 | C27 | 129.6° | 126.4° |
| C30 | C29 | N28 | H28 | 120.4° | 119.8° |
| C30 | C29 | N28 | H29 | 120.4° | 120.0° |
| C30 | C29 | H28 | H29 | 118.8° | 120.4° |
| C29 | C30 | H30 | H31 | 118.5° | 120.1° |
| C29 | C30 | C31 | H32 | 60.8° | 58.7° |
| C27 | N28 | C29 | H28 | 110.0° | 6.7° |
| C27 | N28 | C29 | H29 | 9.2° | 113.6° |
| C27 | N28 | C40 | H48 | 4.4° | 113.8° |
| C27 | N28 | C40 | H49 | 114.0° | 6.8° |
| C29 | N28 | C27 | O41 | 0.4° | 5.8° |
| N28 | C29 | H28 | H29 | 118.7° | 120.3° |
| N28 | C29 | C30 | H30 | 174.6° | 65.3° |
| N28 | C29 | C30 | H31 | 66.4° | 174.6° |
| C29 | N28 | C40 | H48 | 175.8° | 65.9° |
| C29 | N28 | C40 | H49 | 65.8° | 173.5° |
| C19 | C24 | C23 | H26 | 180.0° | 179.7° |
| C19 | C24 | C23 | C22 | 0.5° | 0.6° |
| C24 | C19 | N18 | H21 | 140.4° | 4.5° |
| C24 | C19 | C20 | H22 | 179.7° | 179.7° |
| C19 | C24 | C23 | H25 | 179.5° | 179.7° |
| C21 | C22 | C23 | C24 | 0.2° | 0.3° |
| C21 | C22 | C23 | H24 | 180.0° | 180.0° |
| C22 | C21 | C20 | H22 | 180.0° | 180.0° |
| C21 | C22 | C23 | H25 | 179.8° | 180.0° |
| C24 | C23 | C22 | H25 | 180.0° | 179.7° |
| C24 | C23 | C22 | H24 | 179.8° | 179.7° |
| C23 | C22 | C21 | H23 | 179.9° | 179.9° |
| C22 | C23 | C24 | H26 | 179.5° | 179.7° |
| H1 | C15 | C14 | H10 | 111.4° | 174.9° |
| H1 | C15 | C14 | H53 | 6.8° | 54.9° |
| H2 | C12 | C11 | H4 | 16.3° | 144.7° |
| H2 | C12 | C11 | H5 | 137.2° | 22.5° |
| H2 | C12 | C13 | H8 | 122.6° | 37.5° |
| H2 | C12 | C13 | H9 | 2.1° | 160.6° |
| H3 | C12 | C11 | H4 | 104.7° | 21.6° |
| H3 | C12 | C11 | H5 | 16.3° | 100.6° |
| H3 | C12 | C13 | H8 | 1.6° | 85.8° |
| H3 | C12 | C13 | H9 | 118.9° | 37.4° |
| H4 | C11 | C10 | H6 | 96.1° | 0.8° |
| H4 | C11 | C10 | H7 | 24.9° | 120.3° |
| H5 | C11 | C10 | H6 | 24.8° | 123.0° |
| H5 | C11 | C10 | H7 | 145.9° | 1.9° |
| H10 | C14 | C06 | H15 | 36.3° | 178.7° |
| H10 | C14 | C15 | H52 | 6.8° | 54.6° |
| H11 | C04 | C05 | H13 | 39.2° | 54.8° |
| H11 | C04 | C05 | H14 | 157.7° | 174.8° |
| H12 | C04 | C05 | H13 | 80.4° | 65.6° |
| H12 | C04 | C05 | H14 | 38.1° | 54.5° |
| H13 | C05 | C06 | H15 | 131.6° | 61.4° |
| H14 | C05 | C06 | H15 | 13.1° | 178.4° |
| H15 | C06 | C07 | H16 | 22.3° | 64.9° |
| H15 | C06 | C07 | H17 | 141.6° | 175.0° |
| H15 | C06 | C14 | H53 | 154.5° | 61.3° |
| H16 | C07 | C08 | H18 | 107.7° | 180.0° |
| H16 | C07 | C08 | H19 | 13.3° | 60.0° |
| H17 | C07 | C08 | H18 | 133.0° | 60.0° |
| H17 | C07 | C08 | H19 | 106.0° | 180.0° |
| H22 | C20 | C21 | H23 | 0.0° | 0.1° |
| H23 | C21 | C22 | H24 | 0.1° | 0.0° |
| H24 | C22 | C23 | H25 | 0.2° | 0.1° |
| H25 | C23 | C24 | H26 | 0.5° | 0.1° |
| H28 | C29 | C30 | H30 | 54.2° | 54.5° |
| H28 | C29 | C30 | H31 | 173.2° | 65.6° |
| H29 | C29 | C30 | H30 | 65.0° | 174.9° |
| H29 | C29 | C30 | H31 | 54.0° | 54.7° |
| H30 | C30 | C31 | H32 | 59.7° | 178.6° |
| H31 | C30 | C31 | H32 | 178.7° | 61.2° |
| H32 | C31 | C32 | H33 | 62.8° | 175.1° |
| H32 | C31 | C32 | H34 | 177.2° | 65.0° |
| H32 | C31 | C39 | H46 | 179.8° | 178.6° |
| H32 | C31 | C39 | H47 | 60.3° | 61.3° |
| H33 | C32 | C33 | H35 | 172.1° | 180.0° |
| H33 | C32 | C33 | H36 | 51.4° | 60.0° |
| H34 | C32 | C33 | H35 | 67.8° | 60.1° |
| H34 | C32 | C33 | H36 | 171.4° | 180.0° |
| H38 | C35 | C36 | H40 | 11.8° | 21.2° |
| H38 | C35 | C36 | H41 | 132.9° | 144.3° |
| H39 | C35 | C36 | H40 | 109.4° | 99.8° |
| H39 | C35 | C36 | H41 | 11.7° | 23.2° |
| H40 | C36 | C37 | H42 | 12.7° | 36.0° |
| H40 | C36 | C37 | H43 | 134.3° | 87.9° |
| H41 | C36 | C37 | H42 | 108.5° | 159.1° |
| H41 | C36 | C37 | H43 | 13.2° | 35.3° |
| H42 | C37 | C38 | H44 | 88.9° | 160.2° |
| H42 | C37 | C38 | H45 | 32.8° | 37.9° |
| H43 | C37 | C38 | H44 | 32.8° | 36.3° |
| H43 | C37 | C38 | H45 | 154.5° | 86.0° |
| H46 | C39 | C40 | H48 | 60.9° | 174.9° |
| H46 | C39 | C40 | H49 | 179.3° | 54.4° |
| H47 | C39 | C40 | H48 | 58.9° | 54.8° |
| H47 | C39 | C40 | H49 | 59.5° | 65.7° |
| H50 | C42 | C43 | H51 | 0.2° | 0.1° |
| H52 | C15 | C14 | H53 | 124.9° | 65.4° |
