DV0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N36 | C35 | sing | 1.47Å | 1.46Å | |
| C35 | C34 | sing | 1.53Å | 1.52Å | |
| C26 | N27 | sing | 1.47Å | 1.46Å | |
| C26 | C25 | sing | 1.53Å | 1.52Å | |
| C43 | C44 | doub | 1.38Å | 1.39Å | Aromatic |
| C43 | C41 | sing | 1.38Å | 1.41Å | Aromatic |
| C34 | C33 | sing | 1.53Å | 1.57Å | |
| C40 | C41 | sing | 1.51Å | 1.53Å | |
| C40 | C38 | sing | 1.51Å | 1.53Å | |
| C44 | C01 | sing | 1.38Å | 1.40Å | Aromatic |
| C41 | C42 | doub | 1.38Å | 1.37Å | Aromatic |
| C24 | C25 | sing | 1.53Å | 1.54Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C01 | C02 | doub | 1.38Å | 1.40Å | Aromatic |
| C42 | C02 | sing | 1.38Å | 1.39Å | Aromatic |
| C33 | C32 | sing | 1.53Å | 1.51Å | |
| C02 | C03 | sing | 1.51Å | 1.52Å | |
| N37 | C38 | sing | 1.36Å | 1.42Å | |
| N37 | C31 | sing | 1.48Å | 1.49Å | |
| C03 | N04 | sing | 1.48Å | 1.49Å | |
| C32 | C31 | sing | 1.53Å | 1.57Å | |
| C38 | O39 | doub | 1.21Å | 1.17Å | |
| C23 | C22 | sing | 1.53Å | 1.52Å | |
| O46 | C05 | doub | 1.21Å | 1.21Å | |
| C31 | C29 | sing | 1.51Å | 1.52Å | |
| N28 | C29 | sing | 1.37Å | 1.39Å | |
| N28 | C22 | sing | 1.48Å | 1.45Å | |
| N04 | C05 | sing | 1.37Å | 1.40Å | |
| C05 | C06 | sing | 1.51Å | 1.53Å | |
| C29 | O30 | doub | 1.21Å | 1.21Å | |
| C22 | C20 | sing | 1.51Å | 1.50Å | |
| O45 | C09 | doub | 1.21Å | 1.22Å | |
| O21 | C20 | doub | 1.21Å | 1.22Å | |
| C20 | N19 | sing | 1.36Å | 1.41Å | |
| N13 | C12 | doub | 1.30Å | 1.28Å | |
| C06 | N08 | sing | 1.48Å | 1.51Å | |
| C06 | C07 | sing | 1.53Å | 1.51Å | |
| C09 | N08 | sing | 1.36Å | 1.40Å | |
| C09 | C10 | sing | 1.51Å | 1.54Å | |
| N19 | C18 | sing | 1.48Å | 1.50Å | |
| C10 | N11 | sing | 1.47Å | 1.46Å | |
| C10 | C15 | sing | 1.53Å | 1.57Å | |
| C12 | N11 | sing | 1.37Å | 1.40Å | |
| C12 | N14 | sing | 1.37Å | 1.44Å | |
| C16 | C15 | sing | 1.53Å | 1.57Å | |
| C16 | C17 | sing | 1.53Å | 1.56Å | |
| C18 | C17 | sing | 1.53Å | 1.54Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C22 | H6 | sing | 1.09Å | 1.10Å | |
| C24 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C26 | H9 | sing | 1.09Å | 1.10Å | |
| C26 | H10 | sing | 1.09Å | 1.10Å | |
| C01 | H11 | sing | 1.08Å | 1.08Å | |
| C03 | H12 | sing | 1.09Å | 1.10Å | |
| C03 | H13 | sing | 1.09Å | 1.10Å | |
| C06 | H14 | sing | 1.09Å | 1.10Å | |
| C07 | H15 | sing | 1.09Å | 1.10Å | |
| C07 | H16 | sing | 1.09Å | 1.10Å | |
| C07 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C31 | H26 | sing | 1.09Å | 1.10Å | |
| C32 | H27 | sing | 1.09Å | 1.10Å | |
| C32 | H28 | sing | 1.09Å | 1.10Å | |
| C33 | H29 | sing | 1.09Å | 1.10Å | |
| C33 | H30 | sing | 1.09Å | 1.10Å | |
| C34 | H31 | sing | 1.09Å | 1.10Å | |
| C34 | H32 | sing | 1.09Å | 1.10Å | |
| C35 | H33 | sing | 1.09Å | 1.10Å | |
| C35 | H34 | sing | 1.09Å | 1.10Å | |
| C40 | H35 | sing | 1.09Å | 1.10Å | |
| C40 | H36 | sing | 1.09Å | 1.10Å | |
| C42 | H37 | sing | 1.08Å | 1.08Å | |
| C43 | H38 | sing | 1.08Å | 1.08Å | |
| C44 | H39 | sing | 1.08Å | 1.08Å | |
| N04 | H40 | sing | 0.97Å | 1.00Å | |
| N08 | H41 | sing | 0.97Å | 1.00Å | |
| N11 | H42 | sing | 0.97Å | 1.00Å | |
| N13 | H43 | sing | 0.97Å | 1.00Å | |
| N14 | H44 | sing | 0.97Å | 1.00Å | |
| N14 | H45 | sing | 0.97Å | 1.00Å | |
| N19 | H46 | sing | 0.97Å | 1.00Å | |
| N27 | H47 | sing | 1.01Å | 1.00Å | |
| N27 | H48 | sing | 1.01Å | 1.00Å | |
| N28 | H50 | sing | 0.97Å | 1.00Å | |
| N36 | H51 | sing | 1.01Å | 1.00Å | |
| N36 | H52 | sing | 1.01Å | 1.00Å | |
| N37 | H54 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N36 | C35 | C34 | 108.2° | 109.5° |
| N36 | C35 | H33 | 109.8° | 109.5° |
| N36 | C35 | H34 | 109.8° | 109.4° |
| C35 | N36 | H51 | 109.5° | 110.9° |
| C35 | N36 | H52 | 109.5° | 111.0° |
| C35 | C34 | C33 | 109.7° | 109.5° |
| C35 | C34 | H31 | 109.4° | 109.5° |
| C35 | C34 | H32 | 109.4° | 109.5° |
| C34 | C35 | H33 | 109.8° | 109.5° |
| C34 | C35 | H34 | 109.8° | 109.5° |
| N27 | C26 | C25 | 111.7° | 109.4° |
| N27 | C26 | H9 | 108.9° | 109.4° |
| N27 | C26 | H10 | 108.9° | 109.5° |
| C26 | N27 | H47 | 109.5° | 111.0° |
| C26 | N27 | H48 | 109.5° | 111.0° |
| C26 | C25 | C24 | 108.2° | 109.5° |
| C25 | C26 | H9 | 108.9° | 109.5° |
| C25 | C26 | H10 | 108.9° | 109.5° |
| C26 | C25 | H24 | 109.8° | 109.4° |
| C26 | C25 | H25 | 109.8° | 109.5° |
| C44 | C43 | C41 | 118.6° | 120.0° |
| C43 | C44 | C01 | 120.0° | 120.0° |
| C44 | C43 | H38 | 120.7° | 120.0° |
| C43 | C44 | H39 | 120.0° | 120.0° |
| C43 | C41 | C40 | 123.2° | 120.0° |
| C43 | C41 | C42 | 121.3° | 120.0° |
| C41 | C43 | H38 | 120.7° | 119.9° |
| C34 | C33 | C32 | 105.8° | 109.5° |
| C34 | C33 | H29 | 110.4° | 109.4° |
| C34 | C33 | H30 | 110.4° | 109.5° |
| C33 | C34 | H31 | 109.4° | 109.4° |
| C33 | C34 | H32 | 109.4° | 109.4° |
| C41 | C40 | C38 | 113.5° | 109.7° |
| C40 | C41 | C42 | 115.4° | 120.0° |
| C41 | C40 | H35 | 108.4° | 109.4° |
| C41 | C40 | H36 | 108.5° | 109.4° |
| C40 | C38 | N37 | 115.1° | 119.0° |
| C40 | C38 | O39 | 121.1° | 120.5° |
| C38 | C40 | H35 | 108.5° | 109.4° |
| C38 | C40 | H36 | 108.4° | 109.5° |
| C44 | C01 | C02 | 120.2° | 120.0° |
| C44 | C01 | H11 | 119.9° | 120.0° |
| C01 | C44 | H39 | 120.0° | 120.0° |
| C41 | C42 | C02 | 120.1° | 120.0° |
| C41 | C42 | H37 | 119.9° | 120.1° |
| C25 | C24 | C23 | 111.8° | 109.5° |
| C25 | C24 | H7 | 108.9° | 109.5° |
| C25 | C24 | H8 | 108.9° | 109.5° |
| C24 | C25 | H24 | 109.8° | 109.5° |
| C24 | C25 | H25 | 109.8° | 109.5° |
| C24 | C23 | C22 | 113.5° | 109.5° |
| C23 | C24 | H7 | 108.9° | 109.5° |
| C23 | C24 | H8 | 108.9° | 109.5° |
| C24 | C23 | H22 | 108.5° | 109.4° |
| C24 | C23 | H23 | 108.5° | 109.5° |
| C01 | C02 | C42 | 119.4° | 120.0° |
| C01 | C02 | C03 | 120.9° | 120.0° |
| C02 | C01 | H11 | 119.9° | 120.0° |
| C42 | C02 | C03 | 119.6° | 120.0° |
| C02 | C42 | H37 | 119.9° | 120.0° |
| C33 | C32 | C31 | 110.4° | 109.5° |
| C33 | C32 | H27 | 109.2° | 109.4° |
| C33 | C32 | H28 | 109.2° | 109.4° |
| C32 | C33 | H29 | 110.4° | 109.5° |
| C32 | C33 | H30 | 110.4° | 109.4° |
| C02 | C03 | N04 | 110.0° | 108.6° |
| C02 | C03 | H12 | 109.3° | 109.6° |
| C02 | C03 | H13 | 109.3° | 109.6° |
| C38 | N37 | C31 | 119.6° | 116.6° |
| N37 | C38 | O39 | 123.7° | 120.5° |
| C38 | N37 | H54 | 120.2° | 121.6° |
| N37 | C31 | C32 | 101.0° | 109.6° |
| N37 | C31 | C29 | 114.1° | 108.9° |
| N37 | C31 | H26 | 113.2° | 109.6° |
| C31 | N37 | H54 | 120.2° | 121.7° |
| C03 | N04 | C05 | 120.3° | 115.3° |
| N04 | C03 | H12 | 109.3° | 109.6° |
| N04 | C03 | H13 | 109.3° | 109.6° |
| C03 | N04 | H40 | 119.8° | 122.4° |
| C32 | C31 | C29 | 102.8° | 109.6° |
| C32 | C31 | H26 | 111.9° | 109.6° |
| C31 | C32 | H27 | 109.2° | 109.5° |
| C31 | C32 | H28 | 109.3° | 109.5° |
| C23 | C22 | N28 | 109.1° | 109.8° |
| C23 | C22 | C20 | 109.5° | 109.6° |
| C23 | C22 | H6 | 109.8° | 109.6° |
| C22 | C23 | H22 | 108.5° | 109.5° |
| C22 | C23 | H23 | 108.5° | 109.5° |
| O46 | C05 | N04 | 124.0° | 120.6° |
| O46 | C05 | C06 | 122.0° | 120.6° |
| C31 | C29 | N28 | 118.0° | 118.7° |
| C31 | C29 | O30 | 121.5° | 120.7° |
| C29 | C31 | H26 | 112.7° | 109.6° |
| C29 | N28 | C22 | 122.0° | 115.4° |
| N28 | C29 | O30 | 120.5° | 120.6° |
| C29 | N28 | H50 | 119.0° | 122.2° |
| N28 | C22 | C20 | 107.8° | 108.5° |
| N28 | C22 | H6 | 110.8° | 109.6° |
| C22 | N28 | H50 | 119.0° | 122.3° |
| N04 | C05 | C06 | 114.1° | 118.8° |
| C05 | N04 | H40 | 119.9° | 122.3° |
| C05 | C06 | N08 | 112.5° | 108.9° |
| C05 | C06 | C07 | 113.0° | 109.6° |
| C05 | C06 | H14 | 108.3° | 109.5° |
| C22 | C20 | O21 | 128.0° | 120.4° |
| C22 | C20 | N19 | 111.1° | 119.2° |
| C20 | C22 | H6 | 110.0° | 109.7° |
| O45 | C09 | N08 | 122.1° | 120.4° |
| O45 | C09 | C10 | 120.0° | 120.5° |
| O21 | C20 | N19 | 120.8° | 120.4° |
| C20 | N19 | C18 | 119.6° | 116.5° |
| C20 | N19 | H46 | 120.2° | 121.7° |
| N13 | C12 | N11 | 122.9° | 120.0° |
| N13 | C12 | N14 | 124.7° | 120.0° |
| C12 | N13 | H43 | 112.0° | 120.0° |
| N08 | C06 | C07 | 106.1° | 109.6° |
| C06 | N08 | C09 | 118.2° | 116.6° |
| N08 | C06 | H14 | 108.4° | 109.5° |
| C06 | N08 | H41 | 120.9° | 121.7° |
| C07 | C06 | H14 | 108.4° | 109.7° |
| C06 | C07 | H15 | 109.5° | 109.5° |
| C06 | C07 | H16 | 109.5° | 109.4° |
| C06 | C07 | H17 | 109.4° | 109.5° |
| N08 | C09 | C10 | 118.0° | 119.1° |
| C09 | N08 | H41 | 120.9° | 121.7° |
| C09 | C10 | N11 | 111.6° | 109.4° |
| C09 | C10 | C15 | 108.9° | 109.5° |
| C09 | C10 | H1 | 109.8° | 109.5° |
| N19 | C18 | C17 | 105.4° | 108.8° |
| N19 | C18 | H20 | 110.5° | 109.6° |
| N19 | C18 | H21 | 110.5° | 109.7° |
| C18 | N19 | H46 | 120.2° | 121.8° |
| N11 | C10 | C15 | 105.9° | 109.5° |
| C10 | N11 | C12 | 120.6° | 120.0° |
| N11 | C10 | H1 | 111.0° | 109.5° |
| C10 | N11 | H42 | 119.7° | 120.0° |
| C10 | C15 | C16 | 109.1° | 109.5° |
| C15 | C10 | H1 | 109.5° | 109.5° |
| C10 | C15 | H2 | 109.6° | 109.5° |
| C10 | C15 | H3 | 109.5° | 109.5° |
| N11 | C12 | N14 | 112.4° | 120.0° |
| C12 | N11 | H42 | 119.7° | 120.0° |
| C12 | N14 | H44 | 120.0° | 120.0° |
| C12 | N14 | H45 | 120.0° | 120.0° |
| C15 | C16 | C17 | 106.7° | 109.5° |
| C16 | C15 | H2 | 109.6° | 109.4° |
| C16 | C15 | H3 | 109.6° | 109.4° |
| C15 | C16 | H18 | 110.2° | 109.5° |
| C15 | C16 | H19 | 110.2° | 109.5° |
| C16 | C17 | C18 | 109.4° | 109.5° |
| C16 | C17 | H4 | 109.5° | 109.5° |
| C16 | C17 | H5 | 109.5° | 109.5° |
| C17 | C16 | H18 | 110.1° | 109.4° |
| C17 | C16 | H19 | 110.2° | 109.5° |
| C18 | C17 | H4 | 109.5° | 109.5° |
| C18 | C17 | H5 | 109.5° | 109.5° |
| C17 | C18 | H20 | 110.5° | 109.6° |
| C17 | C18 | H21 | 110.5° | 109.6° |
| H2 | C15 | H3 | 109.5° | 109.5° |
| H4 | C17 | H5 | 109.5° | 109.4° |
| H7 | C24 | H8 | 109.5° | 109.5° |
| H9 | C26 | H10 | 109.4° | 109.5° |
| H12 | C03 | H13 | 109.5° | 109.8° |
| H15 | C07 | H16 | 109.5° | 109.5° |
| H15 | C07 | H17 | 109.5° | 109.5° |
| H16 | C07 | H17 | 109.5° | 109.5° |
| H18 | C16 | H19 | 109.5° | 109.5° |
| H20 | C18 | H21 | 109.5° | 109.6° |
| H22 | C23 | H23 | 109.5° | 109.5° |
| H24 | C25 | H25 | 109.5° | 109.5° |
| H27 | C32 | H28 | 109.4° | 109.4° |
| H29 | C33 | H30 | 109.5° | 109.5° |
| H31 | C34 | H32 | 109.5° | 109.4° |
| H33 | C35 | H34 | 109.4° | 109.5° |
| H35 | C40 | H36 | 109.5° | 109.4° |
| H44 | N14 | H45 | 120.0° | 120.0° |
| H47 | N27 | H48 | 109.4° | 111.0° |
| H51 | N36 | H52 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N36 | C35 | C34 | H33 | 119.8° | 120.1° |
| N36 | C35 | C34 | H34 | 119.8° | 119.9° |
| N36 | C35 | C34 | C33 | 176.8° | 179.9° |
| N36 | C35 | C34 | H31 | 63.1° | 60.0° |
| N36 | C35 | C34 | H32 | 56.8° | 60.1° |
| N36 | C35 | H33 | H34 | 120.6° | 119.9° |
| C35 | N36 | H51 | H52 | 120.0° | 123.9° |
| C35 | C34 | C33 | H31 | 120.0° | 120.0° |
| C35 | C34 | C33 | H32 | 120.0° | 120.0° |
| C35 | C34 | C33 | C32 | 175.8° | 180.0° |
| C35 | C34 | C33 | H29 | 56.4° | 60.0° |
| C35 | C34 | C33 | H30 | 64.7° | 60.0° |
| C35 | C34 | H31 | H32 | 119.9° | 120.1° |
| C34 | C35 | H33 | H34 | 120.6° | 120.0° |
| C34 | C35 | N36 | H51 | 180.0° | 56.1° |
| C34 | C35 | N36 | H52 | 60.0° | 180.0° |
| N27 | C26 | C25 | H9 | 120.3° | 119.9° |
| N27 | C26 | C25 | H10 | 120.3° | 120.0° |
| N27 | C26 | C25 | C24 | 172.5° | 180.0° |
| N27 | C26 | H9 | H10 | 118.9° | 120.0° |
| N27 | C26 | C25 | H24 | 67.7° | 60.0° |
| N27 | C26 | C25 | H25 | 52.7° | 60.0° |
| C26 | N27 | H47 | H48 | 120.0° | 123.9° |
| C26 | C25 | C24 | H24 | 119.8° | 119.9° |
| C26 | C25 | C24 | H25 | 119.8° | 120.0° |
| C26 | C25 | C24 | C23 | 179.9° | 180.0° |
| C26 | C25 | C24 | H7 | 59.6° | 60.0° |
| C26 | C25 | C24 | H8 | 59.7° | 60.0° |
| C25 | C26 | H9 | H10 | 119.0° | 120.0° |
| C26 | C25 | H24 | H25 | 120.6° | 120.0° |
| C25 | C26 | N27 | H47 | 180.0° | 180.0° |
| C25 | C26 | N27 | H48 | 60.0° | 56.1° |
| C44 | C43 | C41 | H38 | 180.0° | 179.9° |
| C44 | C43 | C41 | C40 | 177.6° | 179.9° |
| C43 | C44 | C01 | H39 | 180.0° | 179.9° |
| C44 | C43 | C41 | C42 | 0.2° | 0.0° |
| C43 | C44 | C01 | C02 | 5.8° | 0.0° |
| C43 | C44 | C01 | H11 | 174.2° | 180.0° |
| C43 | C41 | C40 | C42 | 177.6° | 179.9° |
| C43 | C41 | C40 | C38 | 81.8° | 103.1° |
| C41 | C43 | C44 | C01 | 3.2° | 0.0° |
| C43 | C41 | C42 | C02 | 1.0° | 0.0° |
| C43 | C41 | C40 | H35 | 38.8° | 16.9° |
| C43 | C41 | C40 | H36 | 157.6° | 136.8° |
| C43 | C41 | C42 | H37 | 179.1° | 179.9° |
| C41 | C43 | C44 | H39 | 176.8° | 179.9° |
| C34 | C33 | C32 | H29 | 119.4° | 120.0° |
| C34 | C33 | C32 | H30 | 119.4° | 120.0° |
| C34 | C33 | C32 | C31 | 175.8° | 173.7° |
| C34 | C33 | C32 | H27 | 55.7° | 53.7° |
| C34 | C33 | C32 | H28 | 64.0° | 66.2° |
| C34 | C33 | H29 | H30 | 121.7° | 120.0° |
| C33 | C34 | H31 | H32 | 119.9° | 119.9° |
| C33 | C34 | C35 | H33 | 57.0° | 60.0° |
| C33 | C34 | C35 | H34 | 63.4° | 60.0° |
| C41 | C40 | C38 | H35 | 120.6° | 120.0° |
| C41 | C40 | C38 | H36 | 120.6° | 120.1° |
| C40 | C41 | C42 | C02 | 178.6° | 179.9° |
| C41 | C40 | C38 | N37 | 158.2° | 160.2° |
| C41 | C40 | C38 | O39 | 17.5° | 19.8° |
| C41 | C40 | H35 | H36 | 118.2° | 119.9° |
| C40 | C41 | C42 | H37 | 1.4° | 0.2° |
| C40 | C41 | C43 | H38 | 2.4° | 0.2° |
| C38 | C40 | C41 | C42 | 100.6° | 77.0° |
| C40 | C38 | N37 | O39 | 175.6° | 180.0° |
| C40 | C38 | N37 | C31 | 173.9° | 179.4° |
| C38 | C40 | H35 | H36 | 118.2° | 119.9° |
| C40 | C38 | N37 | H54 | 6.1° | 0.5° |
| C44 | C01 | C02 | H11 | 180.0° | 180.0° |
| C44 | C01 | C02 | C42 | 5.0° | 0.0° |
| C44 | C01 | C02 | C03 | 177.2° | 179.9° |
| C01 | C44 | C43 | H38 | 176.8° | 179.9° |
| C41 | C42 | C02 | C01 | 1.6° | 0.0° |
| C41 | C42 | C02 | H37 | 180.0° | 179.9° |
| C41 | C42 | C02 | C03 | 179.5° | 179.9° |
| C42 | C41 | C40 | H35 | 138.8° | 163.0° |
| C42 | C41 | C40 | H36 | 20.0° | 43.1° |
| C42 | C41 | C43 | H38 | 179.8° | 179.9° |
| C25 | C24 | C23 | H7 | 120.4° | 120.0° |
| C25 | C24 | C23 | H8 | 120.3° | 120.0° |
| C25 | C24 | C23 | C22 | 73.5° | 180.0° |
| C25 | C24 | H7 | H8 | 118.9° | 120.0° |
| C24 | C25 | C26 | H9 | 52.2° | 60.1° |
| C24 | C25 | C26 | H10 | 67.2° | 60.0° |
| C25 | C24 | C23 | H22 | 47.1° | 60.0° |
| C25 | C24 | C23 | H23 | 165.9° | 60.0° |
| C24 | C25 | H24 | H25 | 120.6° | 120.1° |
| C24 | C23 | C22 | H22 | 120.6° | 119.9° |
| C24 | C23 | C22 | H23 | 120.6° | 120.0° |
| C24 | C23 | C22 | N28 | 52.4° | 65.8° |
| C24 | C23 | C22 | C20 | 170.0° | 175.0° |
| C24 | C23 | C22 | H6 | 69.1° | 54.6° |
| C23 | C24 | H7 | H8 | 118.9° | 120.0° |
| C24 | C23 | H22 | H23 | 118.2° | 120.0° |
| C23 | C24 | C25 | H24 | 60.3° | 60.1° |
| C23 | C24 | C25 | H25 | 60.1° | 60.0° |
| C01 | C02 | C42 | C03 | 177.8° | 179.9° |
| C01 | C02 | C03 | N04 | 121.4° | 127.4° |
| C01 | C02 | C03 | H12 | 118.6° | 7.6° |
| C01 | C02 | C03 | H13 | 1.3° | 112.9° |
| C01 | C02 | C42 | H37 | 178.4° | 180.0° |
| C02 | C01 | C44 | H39 | 174.2° | 179.9° |
| C42 | C02 | C03 | N04 | 56.4° | 52.7° |
| C42 | C02 | C01 | H11 | 175.0° | 180.0° |
| C42 | C02 | C03 | H12 | 63.6° | 172.4° |
| C42 | C02 | C03 | H13 | 176.5° | 67.1° |
| C33 | C32 | C31 | N37 | 69.5° | 173.5° |
| C33 | C32 | C31 | H27 | 120.2° | 120.0° |
| C33 | C32 | C31 | H28 | 120.2° | 120.0° |
| C33 | C32 | C31 | C29 | 172.4° | 54.0° |
| C33 | C32 | C31 | H26 | 51.3° | 66.2° |
| C33 | C32 | H27 | H28 | 119.6° | 119.9° |
| C32 | C33 | H29 | H30 | 121.7° | 120.0° |
| C32 | C33 | C34 | H31 | 64.1° | 60.0° |
| C32 | C33 | C34 | H32 | 55.8° | 59.9° |
| C02 | C03 | N04 | H12 | 120.1° | 119.7° |
| C02 | C03 | N04 | H13 | 120.1° | 119.7° |
| C02 | C03 | N04 | C05 | 119.4° | 144.0° |
| C03 | C02 | C01 | H11 | 2.8° | 0.1° |
| C02 | C03 | H12 | H13 | 119.8° | 120.4° |
| C03 | C02 | C42 | H37 | 0.5° | 0.1° |
| C02 | C03 | N04 | H40 | 60.5° | 36.0° |
| C38 | N37 | C31 | H54 | 180.0° | 179.9° |
| C38 | N37 | C31 | C32 | 143.9° | 12.4° |
| C38 | N37 | C31 | C29 | 106.6° | 132.2° |
| C38 | N37 | C31 | H26 | 24.1° | 107.9° |
| N37 | C38 | C40 | H35 | 37.6° | 79.8° |
| N37 | C38 | C40 | H36 | 81.2° | 40.1° |
| N37 | C31 | C32 | C29 | 118.0° | 119.5° |
| N37 | C31 | C32 | H26 | 120.8° | 120.3° |
| C31 | N37 | C38 | O39 | 1.6° | 0.6° |
| N37 | C31 | C29 | H26 | 131.0° | 119.9° |
| N37 | C31 | C29 | N28 | 5.9° | 179.0° |
| N37 | C31 | C29 | O30 | 174.4° | 1.0° |
| N37 | C31 | C32 | H27 | 170.3° | 66.5° |
| N37 | C31 | C32 | H28 | 50.6° | 53.5° |
| C03 | N04 | C05 | O46 | 3.8° | 0.2° |
| C03 | N04 | C05 | H40 | 180.0° | 180.0° |
| C03 | N04 | C05 | C06 | 177.9° | 179.8° |
| N04 | C03 | H12 | H13 | 119.7° | 120.5° |
| C32 | C31 | C29 | H26 | 120.7° | 120.2° |
| C32 | C31 | C29 | N28 | 114.3° | 61.1° |
| C32 | C31 | C29 | O30 | 66.0° | 118.9° |
| C31 | C32 | H27 | H28 | 119.6° | 120.1° |
| C31 | C32 | C33 | H29 | 64.8° | 66.3° |
| C31 | C32 | C33 | H30 | 56.4° | 53.7° |
| C32 | C31 | N37 | H54 | 36.1° | 167.7° |
| O39 | C38 | C40 | H35 | 138.0° | 100.2° |
| O39 | C38 | C40 | H36 | 103.1° | 139.9° |
| O39 | C38 | N37 | H54 | 178.4° | 179.5° |
| C23 | C22 | N28 | C29 | 123.7° | 137.2° |
| C23 | C22 | N28 | C20 | 118.7° | 119.8° |
| C23 | C22 | N28 | H6 | 120.9° | 120.5° |
| C23 | C22 | C20 | H6 | 120.7° | 120.4° |
| C23 | C22 | C20 | O21 | 39.1° | 100.6° |
| C23 | C22 | C20 | N19 | 139.6° | 79.4° |
| C22 | C23 | C24 | H7 | 166.2° | 60.0° |
| C22 | C23 | C24 | H8 | 46.9° | 60.0° |
| C22 | C23 | H22 | H23 | 118.2° | 120.0° |
| C23 | C22 | N28 | H50 | 56.3° | 42.8° |
| O46 | C05 | N04 | C06 | 178.3° | 179.9° |
| O46 | C05 | C06 | N08 | 151.9° | 11.0° |
| O46 | C05 | C06 | C07 | 88.0° | 130.9° |
| O46 | C05 | C06 | H14 | 32.1° | 108.8° |
| O46 | C05 | N04 | H40 | 176.2° | 179.8° |
| C31 | C29 | N28 | O30 | 179.8° | 180.0° |
| C31 | C29 | N28 | C22 | 174.0° | 179.3° |
| C29 | C31 | C32 | H27 | 52.3° | 174.0° |
| C29 | C31 | C32 | H28 | 67.4° | 66.0° |
| C31 | C29 | N28 | H50 | 6.0° | 0.7° |
| C29 | C31 | N37 | H54 | 73.4° | 47.8° |
| C29 | N28 | C22 | H50 | 180.0° | 180.0° |
| C29 | N28 | C22 | C20 | 117.6° | 103.0° |
| C29 | N28 | C22 | H6 | 2.8° | 16.7° |
| N28 | C29 | C31 | H26 | 125.1° | 59.2° |
| C22 | N28 | C29 | O30 | 6.3° | 0.6° |
| N28 | C22 | C20 | H6 | 120.8° | 119.7° |
| N28 | C22 | C20 | O21 | 79.4° | 19.3° |
| N28 | C22 | C20 | N19 | 101.9° | 160.7° |
| N28 | C22 | C23 | H22 | 173.0° | 54.1° |
| N28 | C22 | C23 | H23 | 68.2° | 174.1° |
| N04 | C05 | C06 | N08 | 29.8° | 169.1° |
| N04 | C05 | C06 | C07 | 90.3° | 49.2° |
| C05 | N04 | C03 | H12 | 0.6° | 96.3° |
| C05 | N04 | C03 | H13 | 120.5° | 24.3° |
| N04 | C05 | C06 | H14 | 149.6° | 71.2° |
| C05 | C06 | N08 | C07 | 124.0° | 119.8° |
| C05 | C06 | N08 | H14 | 119.8° | 119.8° |
| C05 | C06 | C07 | H14 | 120.0° | 120.3° |
| C05 | C06 | N08 | C09 | 66.1° | 169.4° |
| C05 | C06 | C07 | H15 | 180.0° | 65.3° |
| C05 | C06 | C07 | H16 | 60.0° | 174.8° |
| C05 | C06 | C07 | H17 | 60.0° | 54.8° |
| C06 | C05 | N04 | H40 | 2.1° | 0.1° |
| C05 | C06 | N08 | H41 | 113.9° | 10.7° |
| O30 | C29 | C31 | H26 | 54.7° | 120.9° |
| O30 | C29 | N28 | H50 | 173.8° | 179.3° |
| C22 | C20 | O21 | N19 | 178.6° | 179.9° |
| C22 | C20 | N19 | C18 | 178.4° | 179.3° |
| C20 | C22 | C23 | H22 | 69.4° | 65.0° |
| C20 | C22 | C23 | H23 | 49.4° | 55.0° |
| C22 | C20 | N19 | H46 | 1.6° | 0.7° |
| C20 | C22 | N28 | H50 | 62.4° | 77.0° |
| O45 | C09 | N08 | C06 | 3.6° | 179.9° |
| O45 | C09 | N08 | C10 | 179.0° | 180.0° |
| O45 | C09 | C10 | N11 | 146.8° | 144.0° |
| O45 | C09 | C10 | C15 | 96.6° | 24.0° |
| O45 | C09 | C10 | H1 | 23.3° | 96.0° |
| O45 | C09 | N08 | H41 | 176.4° | 0.0° |
| O21 | C20 | N19 | C18 | 2.8° | 0.6° |
| O21 | C20 | C22 | H6 | 159.8° | 139.0° |
| O21 | C20 | N19 | H46 | 177.2° | 179.4° |
| C20 | N19 | C18 | H46 | 180.0° | 179.9° |
| C20 | N19 | C18 | C17 | 104.4° | 91.0° |
| N19 | C20 | C22 | H6 | 18.9° | 40.9° |
| C20 | N19 | C18 | H20 | 136.3° | 28.8° |
| C20 | N19 | C18 | H21 | 15.0° | 149.1° |
| N13 | C12 | N11 | C10 | 2.0° | 5.4° |
| N13 | C12 | N11 | N14 | 180.0° | 179.9° |
| N13 | C12 | N11 | H42 | 178.0° | 174.7° |
| N13 | C12 | N14 | H44 | 180.0° | 180.0° |
| N13 | C12 | N14 | H45 | 0.0° | 0.1° |
| N08 | C06 | C07 | H14 | 116.3° | 120.3° |
| C06 | N08 | C09 | H41 | 180.0° | 179.9° |
| C06 | N08 | C09 | C10 | 177.3° | 0.0° |
| N08 | C06 | C07 | H15 | 56.3° | 54.1° |
| N08 | C06 | C07 | H16 | 176.3° | 65.8° |
| N08 | C06 | C07 | H17 | 63.7° | 174.2° |
| C07 | C06 | N08 | C09 | 169.9° | 70.7° |
| C06 | C07 | H15 | H16 | 120.0° | 119.9° |
| C06 | C07 | H15 | H17 | 120.0° | 120.0° |
| C06 | C07 | H16 | H17 | 119.9° | 120.0° |
| C07 | C06 | N08 | H41 | 10.0° | 109.2° |
| N08 | C09 | C10 | N11 | 32.3° | 36.0° |
| N08 | C09 | C10 | C15 | 84.3° | 156.0° |
| N08 | C09 | C10 | H1 | 155.8° | 84.0° |
| C09 | N08 | C06 | H14 | 53.7° | 49.7° |
| C09 | C10 | N11 | C15 | 118.4° | 120.0° |
| C09 | C10 | N11 | H1 | 122.9° | 120.0° |
| C09 | C10 | C15 | H1 | 120.1° | 120.0° |
| C09 | C10 | N11 | C12 | 78.1° | 60.0° |
| C09 | C10 | C15 | C16 | 61.9° | 169.4° |
| C09 | C10 | C15 | H2 | 58.1° | 70.6° |
| C09 | C10 | C15 | H3 | 178.2° | 49.4° |
| C10 | C09 | N08 | H41 | 2.6° | 179.9° |
| C09 | C10 | N11 | H42 | 101.9° | 120.1° |
| N19 | C18 | C17 | C16 | 64.3° | 162.7° |
| N19 | C18 | C17 | H20 | 119.3° | 119.8° |
| N19 | C18 | C17 | H21 | 119.3° | 119.9° |
| N19 | C18 | C17 | H4 | 175.7° | 77.2° |
| N19 | C18 | C17 | H5 | 55.7° | 42.7° |
| N19 | C18 | H20 | H21 | 121.9° | 120.4° |
| N11 | C10 | C15 | H1 | 119.8° | 120.0° |
| C10 | N11 | C12 | H42 | 180.0° | 179.9° |
| C10 | N11 | C12 | N14 | 178.0° | 174.7° |
| N11 | C10 | C15 | C16 | 178.0° | 49.4° |
| N11 | C10 | C15 | H2 | 62.1° | 169.4° |
| N11 | C10 | C15 | H3 | 58.0° | 70.6° |
| C15 | C10 | N11 | C12 | 163.5° | 59.9° |
| C10 | C15 | C16 | H2 | 120.0° | 120.0° |
| C10 | C15 | C16 | H3 | 119.9° | 120.1° |
| C10 | C15 | C16 | C17 | 170.0° | 90.5° |
| C10 | C15 | H2 | H3 | 120.1° | 120.1° |
| C10 | C15 | C16 | H18 | 50.4° | 29.5° |
| C10 | C15 | C16 | H19 | 70.5° | 149.5° |
| C15 | C10 | N11 | H42 | 16.5° | 119.9° |
| C12 | N11 | C10 | H1 | 44.8° | 180.0° |
| N11 | C12 | N13 | H43 | 180.0° | 175.0° |
| N11 | C12 | N14 | H44 | 0.0° | 0.0° |
| N11 | C12 | N14 | H45 | 180.0° | 180.0° |
| N14 | C12 | N11 | H42 | 2.0° | 5.2° |
| N14 | C12 | N13 | H43 | 0.0° | 5.0° |
| C12 | N14 | H44 | H45 | 180.0° | 180.0° |
| C15 | C16 | C17 | H18 | 119.6° | 120.0° |
| C15 | C16 | C17 | H19 | 119.6° | 120.0° |
| C15 | C16 | C17 | C18 | 176.5° | 166.7° |
| C16 | C15 | C10 | H1 | 58.2° | 70.6° |
| C16 | C15 | H2 | H3 | 120.2° | 119.9° |
| C15 | C16 | C17 | H4 | 56.5° | 46.6° |
| C15 | C16 | C17 | H5 | 63.5° | 73.3° |
| C15 | C16 | H18 | H19 | 121.3° | 120.1° |
| C16 | C17 | C18 | H4 | 120.0° | 120.0° |
| C16 | C17 | C18 | H5 | 120.0° | 120.0° |
| C17 | C16 | C15 | H2 | 70.1° | 149.6° |
| C17 | C16 | C15 | H3 | 50.1° | 29.6° |
| C16 | C17 | H4 | H5 | 120.1° | 120.0° |
| C17 | C16 | H18 | H19 | 121.3° | 120.0° |
| C16 | C17 | C18 | H20 | 176.4° | 42.9° |
| C16 | C17 | C18 | H21 | 55.0° | 77.4° |
| C18 | C17 | H4 | H5 | 120.0° | 120.0° |
| C18 | C17 | C16 | H18 | 63.9° | 73.3° |
| C18 | C17 | C16 | H19 | 57.0° | 46.6° |
| C17 | C18 | H20 | H21 | 121.9° | 120.3° |
| C17 | C18 | N19 | H46 | 75.6° | 88.9° |
| H1 | C10 | C15 | H2 | 178.2° | 49.4° |
| H1 | C10 | C15 | H3 | 61.7° | 169.4° |
| H1 | C10 | N11 | H42 | 135.2° | 0.1° |
| H2 | C15 | C16 | H18 | 170.4° | 90.5° |
| H2 | C15 | C16 | H19 | 49.5° | 29.6° |
| H3 | C15 | C16 | H18 | 69.5° | 149.6° |
| H3 | C15 | C16 | H19 | 169.6° | 90.4° |
| H4 | C17 | C16 | H18 | 176.1° | 166.6° |
| H4 | C17 | C16 | H19 | 63.0° | 73.4° |
| H4 | C17 | C18 | H20 | 56.4° | 163.0° |
| H4 | C17 | C18 | H21 | 64.9° | 42.7° |
| H5 | C17 | C16 | H18 | 56.1° | 46.7° |
| H5 | C17 | C16 | H19 | 176.9° | 166.7° |
| H5 | C17 | C18 | H20 | 63.7° | 77.1° |
| H5 | C17 | C18 | H21 | 175.0° | 162.6° |
| H6 | C22 | C23 | H22 | 51.5° | 174.6° |
| H6 | C22 | C23 | H23 | 170.3° | 65.4° |
| H6 | C22 | N28 | H50 | 177.2° | 163.3° |
| H7 | C24 | C23 | H22 | 73.2° | 180.0° |
| H7 | C24 | C23 | H23 | 45.6° | 60.0° |
| H7 | C24 | C25 | H24 | 179.4° | 179.9° |
| H7 | C24 | C25 | H25 | 60.2° | 60.0° |
| H8 | C24 | C23 | H22 | 167.5° | 60.0° |
| H8 | C24 | C23 | H23 | 73.8° | 180.0° |
| H8 | C24 | C25 | H24 | 60.1° | 60.0° |
| H8 | C24 | C25 | H25 | 179.5° | 180.0° |
| H9 | C26 | C25 | H24 | 172.0° | 180.0° |
| H9 | C26 | C25 | H25 | 67.6° | 60.0° |
| H9 | C26 | N27 | H47 | 59.6° | 60.0° |
| H9 | C26 | N27 | H48 | 60.3° | 176.0° |
| H10 | C26 | C25 | H24 | 52.6° | 60.0° |
| H10 | C26 | C25 | H25 | 173.1° | 180.0° |
| H10 | C26 | N27 | H47 | 59.6° | 60.0° |
| H10 | C26 | N27 | H48 | 179.6° | 63.9° |
| H11 | C01 | C44 | H39 | 5.8° | 0.1° |
| H12 | C03 | N04 | H40 | 179.4° | 83.7° |
| H13 | C03 | N04 | H40 | 59.6° | 155.8° |
| H14 | C06 | C07 | H15 | 60.0° | 174.5° |
| H14 | C06 | C07 | H16 | 60.0° | 54.5° |
| H14 | C06 | C07 | H17 | 180.0° | 65.5° |
| H14 | C06 | N08 | H41 | 126.3° | 130.4° |
| H15 | C07 | H16 | H17 | 120.0° | 120.1° |
| H20 | C18 | N19 | H46 | 43.7° | 151.3° |
| H21 | C18 | N19 | H46 | 165.0° | 31.0° |
| H26 | C31 | C32 | H27 | 68.9° | 53.8° |
| H26 | C31 | C32 | H28 | 171.4° | 173.8° |
| H26 | C31 | N37 | H54 | 155.9° | 72.0° |
| H27 | C32 | C33 | H29 | 175.1° | 173.7° |
| H27 | C32 | C33 | H30 | 63.8° | 66.4° |
| H28 | C32 | C33 | H29 | 55.4° | 53.7° |
| H28 | C32 | C33 | H30 | 176.5° | 173.7° |
| H29 | C33 | C34 | H31 | 176.5° | 180.0° |
| H29 | C33 | C34 | H32 | 63.6° | 60.1° |
| H30 | C33 | C34 | H31 | 55.3° | 60.0° |
| H30 | C33 | C34 | H32 | 175.3° | 179.9° |
| H31 | C34 | C35 | H33 | 177.0° | 180.0° |
| H31 | C34 | C35 | H34 | 56.7° | 60.0° |
| H32 | C34 | C35 | H33 | 63.0° | 60.0° |
| H32 | C34 | C35 | H34 | 176.6° | 180.0° |
| H33 | C35 | N36 | H51 | 60.2° | 64.0° |
| H33 | C35 | N36 | H52 | 59.8° | 59.9° |
| H34 | C35 | N36 | H51 | 60.2° | 176.1° |
| H34 | C35 | N36 | H52 | 179.8° | 60.1° |
| H38 | C43 | C44 | H39 | 3.2° | 0.2° |
