UOD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | C21 | sing | 1.53Å | 1.53Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C21 | C19 | sing | 1.51Å | 1.51Å | |
| O20 | C18 | doub | 1.23Å | 1.23Å | |
| C39 | C38 | sing | 1.54Å | 1.54Å | |
| N24 | C19 | sing | 1.47Å | 1.47Å | |
| N24 | C25 | sing | 1.38Å | 1.38Å | |
| C19 | C18 | sing | 1.52Å | 1.52Å | |
| C18 | N17 | sing | 1.35Å | 1.35Å | |
| C07 | N08 | sing | 1.48Å | 1.48Å | |
| C07 | C06 | sing | 1.54Å | 1.54Å | |
| C38 | C30 | sing | 1.50Å | 1.50Å | |
| C38 | C25 | sing | 1.53Å | 1.53Å | |
| C38 | C40 | sing | 1.55Å | 1.55Å | |
| C30 | C31 | doub | 1.36Å | 1.36Å | |
| C37 | C36 | doub | 1.39Å | 1.39Å | Aromatic |
| C37 | C32 | sing | 1.42Å | 1.42Å | Aromatic |
| C36 | C35 | sing | 1.40Å | 1.40Å | Aromatic |
| C25 | O26 | doub | 1.24Å | 1.24Å | |
| N08 | N09 | sing | 1.42Å | 1.42Å | |
| N08 | C14 | sing | 1.35Å | 1.35Å | |
| O16 | C14 | doub | 1.22Å | 1.22Å | |
| N09 | C10 | sing | 1.49Å | 1.49Å | |
| O29 | C11 | doub | 1.23Å | 1.23Å | |
| N17 | C15 | sing | 1.47Å | 1.47Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C32 | C01 | doub | 1.42Å | 1.42Å | Aromatic |
| C32 | C33 | sing | 1.40Å | 1.40Å | Aromatic |
| C01 | C02 | sing | 1.40Å | 1.40Å | Aromatic |
| C06 | C05 | sing | 1.54Å | 1.54Å | |
| C35 | C31 | sing | 1.48Å | 1.48Å | |
| C35 | C34 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | C27 | sing | 1.54Å | 1.54Å | |
| C05 | C10 | sing | 1.55Å | 1.55Å | |
| C10 | C11 | sing | 1.54Å | 1.54Å | |
| C02 | C03 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | O12 | sing | 1.38Å | 1.38Å | |
| C33 | C34 | sing | 1.40Å | 1.40Å | Aromatic |
| C33 | N04 | doub | 1.35Å | 1.35Å | Aromatic |
| C03 | N04 | sing | 1.38Å | 1.38Å | Aromatic |
| C03 | C13 | sing | 1.53Å | 1.53Å | |
| O12 | C13 | sing | 1.49Å | 1.49Å | |
| C13 | C28 | sing | 1.53Å | 1.53Å | |
| C01 | H1 | sing | 1.08Å | 1.08Å | |
| C02 | H2 | sing | 1.08Å | 1.08Å | |
| C05 | H3 | sing | 1.10Å | 1.10Å | |
| C05 | H4 | sing | 1.10Å | 1.10Å | |
| C06 | H5 | sing | 1.10Å | 1.10Å | |
| C06 | H6 | sing | 1.10Å | 1.10Å | |
| C07 | H7 | sing | 1.10Å | 1.10Å | |
| C07 | H8 | sing | 1.10Å | 1.10Å | |
| C10 | H9 | sing | 1.10Å | 1.10Å | |
| C13 | H10 | sing | 1.10Å | 1.10Å | |
| C15 | H11 | sing | 1.10Å | 1.10Å | |
| C19 | H12 | sing | 1.10Å | 1.10Å | |
| C21 | H13 | sing | 1.10Å | 1.10Å | |
| C22 | H14 | sing | 1.10Å | 1.10Å | |
| C22 | H15 | sing | 1.10Å | 1.10Å | |
| C22 | H16 | sing | 1.10Å | 1.10Å | |
| C23 | H17 | sing | 1.10Å | 1.10Å | |
| C23 | H18 | sing | 1.10Å | 1.10Å | |
| C23 | H19 | sing | 1.10Å | 1.10Å | |
| C27 | H20 | sing | 1.10Å | 1.10Å | |
| C27 | H21 | sing | 1.10Å | 1.10Å | |
| C27 | H22 | sing | 1.10Å | 1.10Å | |
| C28 | H23 | sing | 1.10Å | 1.10Å | |
| C28 | H24 | sing | 1.10Å | 1.10Å | |
| C28 | H25 | sing | 1.10Å | 1.10Å | |
| C30 | H26 | sing | 1.08Å | 1.08Å | |
| C31 | H27 | sing | 1.08Å | 1.08Å | |
| C34 | H28 | sing | 1.08Å | 1.08Å | |
| C36 | H29 | sing | 1.08Å | 1.08Å | |
| C37 | H30 | sing | 1.08Å | 1.08Å | |
| C39 | H31 | sing | 1.10Å | 1.10Å | |
| C39 | H32 | sing | 1.10Å | 1.10Å | |
| C39 | H33 | sing | 1.10Å | 1.10Å | |
| C40 | H34 | sing | 1.10Å | 1.10Å | |
| C40 | H35 | sing | 1.10Å | 1.10Å | |
| C40 | H36 | sing | 1.10Å | 1.10Å | |
| N09 | H37 | sing | 1.00Å | 1.00Å | |
| N17 | H38 | sing | 1.00Å | 1.00Å | |
| N24 | H39 | sing | 1.00Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | C21 | C22 | 108.2° | 108.2° |
| C23 | C21 | C19 | 109.4° | 109.4° |
| C23 | C21 | H13 | 110.1° | 110.1° |
| C21 | C23 | H17 | 109.5° | 109.5° |
| C21 | C23 | H18 | 109.5° | 109.5° |
| C21 | C23 | H19 | 109.5° | 109.5° |
| C22 | C21 | C19 | 108.6° | 108.6° |
| C22 | C21 | H13 | 110.1° | 110.1° |
| C21 | C22 | H14 | 109.5° | 109.5° |
| C21 | C22 | H15 | 109.5° | 109.5° |
| C21 | C22 | H16 | 109.4° | 109.4° |
| C21 | C19 | N24 | 109.8° | 109.8° |
| C21 | C19 | C18 | 113.5° | 113.5° |
| C21 | C19 | H12 | 109.9° | 109.9° |
| C19 | C21 | H13 | 110.4° | 110.4° |
| O20 | C18 | C19 | 123.8° | 123.8° |
| O20 | C18 | N17 | 117.4° | 117.4° |
| C39 | C38 | C30 | 109.6° | 109.6° |
| C39 | C38 | C25 | 110.0° | 110.0° |
| C39 | C38 | C40 | 114.7° | 114.7° |
| C38 | C39 | H31 | 109.5° | 109.5° |
| C38 | C39 | H32 | 109.5° | 109.5° |
| C38 | C39 | H33 | 109.5° | 109.5° |
| C19 | N24 | C25 | 121.5° | 121.5° |
| N24 | C19 | C18 | 103.2° | 103.2° |
| N24 | C19 | H12 | 110.5° | 110.5° |
| C19 | N24 | H39 | 119.3° | 119.3° |
| N24 | C25 | C38 | 115.9° | 115.9° |
| N24 | C25 | O26 | 121.1° | 121.1° |
| C25 | N24 | H39 | 119.3° | 119.3° |
| C19 | C18 | N17 | 118.8° | 118.8° |
| C18 | C19 | H12 | 109.8° | 109.8° |
| C18 | N17 | C15 | 124.8° | 124.8° |
| C18 | N17 | H38 | 117.6° | 117.6° |
| N08 | C07 | C06 | 107.9° | 107.9° |
| C07 | N08 | N09 | 115.1° | 115.1° |
| C07 | N08 | C14 | 125.2° | 125.2° |
| N08 | C07 | H7 | 109.9° | 109.9° |
| N08 | C07 | H8 | 109.8° | 109.9° |
| C07 | C06 | C05 | 108.9° | 108.9° |
| C07 | C06 | H5 | 109.6° | 109.6° |
| C07 | C06 | H6 | 109.6° | 109.6° |
| C06 | C07 | H7 | 109.8° | 109.8° |
| C06 | C07 | H8 | 109.9° | 109.8° |
| C30 | C38 | C25 | 103.7° | 103.7° |
| C30 | C38 | C40 | 111.5° | 111.5° |
| C38 | C30 | C31 | 122.5° | 122.5° |
| C38 | C30 | H26 | 118.8° | 118.8° |
| C25 | C38 | C40 | 106.7° | 106.7° |
| C38 | C25 | O26 | 123.0° | 123.0° |
| C38 | C40 | H34 | 109.5° | 109.5° |
| C38 | C40 | H35 | 109.5° | 109.5° |
| C38 | C40 | H36 | 109.4° | 109.4° |
| C30 | C31 | C35 | 119.4° | 119.4° |
| C31 | C30 | H26 | 118.7° | 118.7° |
| C30 | C31 | H27 | 120.3° | 120.3° |
| C36 | C37 | C32 | 122.0° | 122.0° |
| C37 | C36 | C35 | 120.3° | 120.3° |
| C37 | C36 | H29 | 119.8° | 119.8° |
| C36 | C37 | H30 | 119.0° | 119.0° |
| C37 | C32 | C01 | 126.5° | 126.5° |
| C37 | C32 | C33 | 117.3° | 117.3° |
| C32 | C37 | H30 | 119.0° | 119.0° |
| C36 | C35 | C31 | 121.6° | 121.6° |
| C36 | C35 | C34 | 117.9° | 117.9° |
| C35 | C36 | H29 | 119.9° | 119.9° |
| N09 | N08 | C14 | 119.7° | 119.7° |
| N08 | N09 | C10 | 109.3° | 109.3° |
| N08 | N09 | H37 | 109.5° | 109.5° |
| N08 | C14 | O16 | 120.6° | 120.6° |
| N08 | C14 | C15 | 118.3° | 118.3° |
| O16 | C14 | C15 | 121.2° | 121.2° |
| N09 | C10 | C05 | 111.9° | 111.9° |
| N09 | C10 | C11 | 104.4° | 104.4° |
| N09 | C10 | H9 | 109.1° | 109.1° |
| C10 | N09 | H37 | 109.5° | 109.5° |
| O29 | C11 | C10 | 124.1° | 124.1° |
| O29 | C11 | O12 | 125.7° | 125.7° |
| N17 | C15 | C14 | 111.4° | 111.4° |
| N17 | C15 | C27 | 106.8° | 106.8° |
| N17 | C15 | H11 | 110.6° | 110.6° |
| C15 | N17 | H38 | 117.6° | 117.6° |
| C14 | C15 | C27 | 108.7° | 108.7° |
| C14 | C15 | H11 | 109.7° | 109.7° |
| C01 | C32 | C33 | 116.2° | 116.2° |
| C32 | C01 | C02 | 121.3° | 121.3° |
| C32 | C01 | H1 | 119.4° | 119.4° |
| C32 | C33 | C34 | 120.1° | 120.1° |
| C32 | C33 | N04 | 122.8° | 122.8° |
| C01 | C02 | C03 | 118.6° | 118.6° |
| C02 | C01 | H1 | 119.4° | 119.4° |
| C01 | C02 | H2 | 120.7° | 120.7° |
| C06 | C05 | C10 | 110.7° | 110.7° |
| C06 | C05 | H3 | 109.2° | 109.2° |
| C06 | C05 | H4 | 109.2° | 109.2° |
| C05 | C06 | H5 | 109.6° | 109.6° |
| C05 | C06 | H6 | 109.6° | 109.6° |
| C31 | C35 | C34 | 120.5° | 120.5° |
| C35 | C31 | H27 | 120.3° | 120.3° |
| C35 | C34 | C33 | 122.3° | 122.3° |
| C35 | C34 | H28 | 118.8° | 118.8° |
| C27 | C15 | H11 | 109.6° | 109.6° |
| C15 | C27 | H20 | 109.5° | 109.5° |
| C15 | C27 | H21 | 109.4° | 109.4° |
| C15 | C27 | H22 | 109.5° | 109.5° |
| C05 | C10 | C11 | 114.4° | 114.4° |
| C10 | C05 | H3 | 109.2° | 109.2° |
| C10 | C05 | H4 | 109.2° | 109.2° |
| C05 | C10 | H9 | 108.4° | 108.4° |
| C10 | C11 | O12 | 109.8° | 109.8° |
| C11 | C10 | H9 | 108.5° | 108.5° |
| C02 | C03 | N04 | 120.5° | 120.5° |
| C02 | C03 | C13 | 126.4° | 126.4° |
| C03 | C02 | H2 | 120.7° | 120.7° |
| C11 | O12 | C13 | 119.6° | 119.6° |
| C34 | C33 | N04 | 117.1° | 117.1° |
| C33 | C34 | H28 | 118.8° | 118.8° |
| C33 | N04 | C03 | 120.5° | 120.5° |
| N04 | C03 | C13 | 113.1° | 113.1° |
| C03 | C13 | O12 | 108.2° | 108.2° |
| C03 | C13 | C28 | 113.5° | 113.5° |
| C03 | C13 | H10 | 110.2° | 110.2° |
| O12 | C13 | C28 | 103.7° | 103.7° |
| O12 | C13 | H10 | 110.8° | 110.8° |
| C28 | C13 | H10 | 110.3° | 110.3° |
| C13 | C28 | H23 | 109.5° | 109.5° |
| C13 | C28 | H24 | 109.4° | 109.4° |
| C13 | C28 | H25 | 109.5° | 109.5° |
| H3 | C05 | H4 | 109.4° | 109.5° |
| H5 | C06 | H6 | 109.5° | 109.5° |
| H7 | C07 | H8 | 109.5° | 109.5° |
| H14 | C22 | H15 | 109.4° | 109.4° |
| H14 | C22 | H16 | 109.5° | 109.5° |
| H15 | C22 | H16 | 109.5° | 109.5° |
| H17 | C23 | H18 | 109.5° | 109.5° |
| H17 | C23 | H19 | 109.5° | 109.5° |
| H18 | C23 | H19 | 109.4° | 109.4° |
| H20 | C27 | H21 | 109.5° | 109.5° |
| H20 | C27 | H22 | 109.5° | 109.4° |
| H21 | C27 | H22 | 109.5° | 109.5° |
| H23 | C28 | H24 | 109.5° | 109.5° |
| H23 | C28 | H25 | 109.5° | 109.5° |
| H24 | C28 | H25 | 109.5° | 109.5° |
| H31 | C39 | H32 | 109.4° | 109.4° |
| H31 | C39 | H33 | 109.5° | 109.5° |
| H32 | C39 | H33 | 109.5° | 109.5° |
| H34 | C40 | H35 | 109.4° | 109.4° |
| H34 | C40 | H36 | 109.5° | 109.5° |
| H35 | C40 | H36 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | C21 | C22 | C19 | 118.7° | 118.7° |
| C23 | C21 | C22 | H13 | 120.4° | 120.4° |
| C23 | C21 | C19 | H13 | 121.4° | 121.4° |
| C23 | C21 | C19 | N24 | 62.1° | 62.1° |
| C23 | C21 | C19 | C18 | 177.0° | 177.0° |
| C23 | C21 | C19 | H12 | 59.6° | 59.6° |
| C23 | C21 | C22 | H14 | 180.0° | 180.0° |
| C23 | C21 | C22 | H15 | 60.0° | 60.0° |
| C23 | C21 | C22 | H16 | 60.0° | 60.0° |
| C21 | C23 | H17 | H18 | 120.0° | 120.0° |
| C21 | C23 | H17 | H19 | 120.0° | 120.0° |
| C21 | C23 | H18 | H19 | 120.0° | 120.0° |
| C22 | C21 | C19 | H13 | 120.7° | 120.7° |
| C22 | C21 | C19 | N24 | 180.0° | 180.0° |
| C22 | C21 | C19 | C18 | 65.1° | 65.1° |
| C22 | C21 | C19 | H12 | 58.3° | 58.3° |
| C21 | C22 | H14 | H15 | 120.0° | 120.0° |
| C21 | C22 | H14 | H16 | 120.0° | 120.0° |
| C21 | C22 | H15 | H16 | 120.0° | 120.0° |
| C22 | C21 | C23 | H17 | 180.0° | 180.0° |
| C22 | C21 | C23 | H18 | 60.0° | 60.0° |
| C22 | C21 | C23 | H19 | 60.0° | 60.0° |
| C21 | C19 | C18 | O20 | 58.3° | 58.3° |
| C21 | C19 | N24 | C18 | 121.3° | 121.3° |
| C21 | C19 | N24 | H12 | 121.4° | 121.4° |
| C21 | C19 | N24 | C25 | 146.2° | 146.2° |
| C21 | C19 | C18 | H12 | 123.4° | 123.4° |
| C21 | C19 | C18 | N17 | 123.4° | 123.4° |
| C19 | C21 | C22 | H14 | 61.3° | 61.3° |
| C19 | C21 | C22 | H15 | 58.7° | 58.7° |
| C19 | C21 | C22 | H16 | 178.7° | 178.7° |
| C19 | C21 | C23 | H17 | 61.9° | 61.9° |
| C19 | C21 | C23 | H18 | 178.1° | 178.1° |
| C19 | C21 | C23 | H19 | 58.2° | 58.2° |
| C21 | C19 | N24 | H39 | 33.7° | 33.7° |
| O20 | C18 | C19 | N24 | 60.5° | 60.5° |
| O20 | C18 | C19 | N17 | 178.4° | 178.4° |
| O20 | C18 | N17 | C15 | 3.0° | 3.0° |
| O20 | C18 | C19 | H12 | 178.3° | 178.3° |
| O20 | C18 | N17 | H38 | 177.0° | 177.0° |
| C39 | C38 | C25 | N24 | 41.7° | 41.7° |
| C39 | C38 | C30 | C25 | 117.5° | 117.5° |
| C39 | C38 | C30 | C40 | 128.1° | 128.1° |
| C39 | C38 | C25 | C40 | 125.0° | 125.0° |
| C39 | C38 | C30 | C31 | 164.2° | 164.2° |
| C39 | C38 | C25 | O26 | 139.6° | 139.6° |
| C39 | C38 | C30 | H26 | 15.8° | 15.8° |
| C38 | C39 | H31 | H32 | 120.0° | 120.0° |
| C38 | C39 | H31 | H33 | 120.0° | 120.0° |
| C38 | C39 | H32 | H33 | 120.0° | 120.0° |
| C39 | C38 | C40 | H34 | 180.0° | 180.0° |
| C39 | C38 | C40 | H35 | 60.0° | 60.0° |
| C39 | C38 | C40 | H36 | 60.0° | 60.0° |
| C19 | N24 | C25 | H39 | 180.0° | 180.0° |
| N24 | C19 | C18 | H12 | 117.8° | 117.8° |
| N24 | C19 | C18 | N17 | 117.8° | 117.8° |
| C19 | N24 | C25 | C38 | 174.4° | 174.4° |
| C19 | N24 | C25 | O26 | 4.3° | 4.3° |
| N24 | C19 | C21 | H13 | 59.3° | 59.3° |
| C25 | N24 | C19 | C18 | 92.4° | 92.4° |
| N24 | C25 | C38 | C30 | 75.4° | 75.4° |
| N24 | C25 | C38 | O26 | 178.6° | 178.6° |
| N24 | C25 | C38 | C40 | 166.8° | 166.8° |
| C25 | N24 | C19 | H12 | 24.9° | 24.9° |
| C19 | C18 | N17 | C15 | 175.4° | 175.4° |
| C18 | C19 | C21 | H13 | 55.6° | 55.6° |
| C19 | C18 | N17 | H38 | 4.6° | 4.5° |
| C18 | C19 | N24 | H39 | 87.6° | 87.6° |
| C18 | N17 | C15 | H38 | 180.0° | 180.0° |
| C18 | N17 | C15 | C14 | 93.7° | 93.7° |
| C18 | N17 | C15 | C27 | 147.8° | 147.8° |
| C18 | N17 | C15 | H11 | 28.6° | 28.6° |
| N17 | C18 | C19 | H12 | 0.0° | 0.0° |
| N08 | C07 | C06 | H7 | 119.8° | 119.8° |
| N08 | C07 | C06 | H8 | 119.7° | 119.8° |
| C07 | N08 | N09 | C14 | 177.2° | 177.2° |
| C07 | N08 | C14 | O16 | 0.9° | 0.9° |
| C07 | N08 | N09 | C10 | 60.7° | 60.7° |
| C07 | N08 | C14 | C15 | 178.4° | 178.4° |
| N08 | C07 | C06 | C05 | 56.7° | 56.7° |
| N08 | C07 | C06 | H5 | 63.2° | 63.2° |
| N08 | C07 | C06 | H6 | 176.7° | 176.7° |
| N08 | C07 | H7 | H8 | 120.7° | 120.8° |
| C07 | N08 | N09 | H37 | 59.3° | 59.3° |
| C06 | C07 | N08 | N09 | 62.6° | 62.6° |
| C06 | C07 | N08 | C14 | 120.5° | 120.5° |
| C07 | C06 | C05 | H5 | 119.9° | 119.9° |
| C07 | C06 | C05 | H6 | 119.9° | 119.9° |
| C07 | C06 | C05 | C10 | 54.3° | 54.3° |
| C07 | C06 | C05 | H3 | 174.5° | 174.5° |
| C07 | C06 | C05 | H4 | 65.9° | 65.9° |
| C07 | C06 | H5 | H6 | 120.3° | 120.3° |
| C06 | C07 | H7 | H8 | 120.7° | 120.7° |
| C30 | C38 | C25 | C40 | 117.8° | 117.8° |
| C38 | C30 | C31 | H26 | 180.0° | 180.0° |
| C30 | C38 | C25 | O26 | 103.2° | 103.2° |
| C38 | C30 | C31 | C35 | 176.3° | 176.3° |
| C38 | C30 | C31 | H27 | 3.7° | 3.7° |
| C30 | C38 | C39 | H31 | 180.0° | 180.0° |
| C30 | C38 | C39 | H32 | 60.0° | 60.0° |
| C30 | C38 | C39 | H33 | 60.0° | 60.0° |
| C30 | C38 | C40 | H34 | 54.8° | 54.8° |
| C30 | C38 | C40 | H35 | 65.2° | 65.2° |
| C30 | C38 | C40 | H36 | 174.8° | 174.8° |
| C25 | C38 | C30 | C31 | 46.8° | 46.8° |
| C25 | C38 | C30 | H26 | 133.2° | 133.2° |
| C25 | C38 | C39 | H31 | 66.6° | 66.6° |
| C25 | C38 | C39 | H32 | 173.5° | 173.5° |
| C25 | C38 | C39 | H33 | 53.4° | 53.4° |
| C25 | C38 | C40 | H34 | 57.9° | 57.9° |
| C25 | C38 | C40 | H35 | 177.9° | 177.9° |
| C25 | C38 | C40 | H36 | 62.1° | 62.1° |
| C38 | C25 | N24 | H39 | 5.6° | 5.6° |
| C40 | C38 | C30 | C31 | 67.7° | 67.7° |
| C40 | C38 | C25 | O26 | 14.6° | 14.6° |
| C40 | C38 | C30 | H26 | 112.3° | 112.3° |
| C40 | C38 | C39 | H31 | 53.8° | 53.8° |
| C40 | C38 | C39 | H32 | 66.2° | 66.2° |
| C40 | C38 | C39 | H33 | 173.8° | 173.8° |
| C38 | C40 | H34 | H35 | 120.0° | 120.0° |
| C38 | C40 | H34 | H36 | 120.0° | 120.0° |
| C38 | C40 | H35 | H36 | 120.0° | 120.0° |
| C30 | C31 | C35 | C36 | 15.8° | 15.8° |
| C30 | C31 | C35 | H27 | 180.0° | 180.0° |
| C30 | C31 | C35 | C34 | 162.2° | 162.2° |
| C36 | C37 | C32 | H30 | 180.0° | 180.0° |
| C37 | C36 | C35 | H29 | 180.0° | 180.0° |
| C36 | C37 | C32 | C01 | 178.6° | 178.6° |
| C36 | C37 | C32 | C33 | 3.0° | 3.0° |
| C37 | C36 | C35 | C31 | 179.1° | 179.1° |
| C37 | C36 | C35 | C34 | 2.9° | 2.9° |
| C32 | C37 | C36 | C35 | 4.1° | 4.1° |
| C37 | C32 | C01 | C33 | 178.4° | 178.4° |
| C37 | C32 | C01 | C02 | 179.3° | 179.3° |
| C37 | C32 | C33 | C34 | 0.7° | 0.7° |
| C37 | C32 | C33 | N04 | 177.6° | 177.6° |
| C37 | C32 | C01 | H1 | 0.7° | 0.7° |
| C32 | C37 | C36 | H29 | 175.9° | 175.9° |
| C36 | C35 | C31 | C34 | 177.9° | 177.9° |
| C36 | C35 | C34 | C33 | 0.7° | 0.7° |
| C36 | C35 | C31 | H27 | 164.2° | 164.2° |
| C36 | C35 | C34 | H28 | 179.3° | 179.3° |
| C35 | C36 | C37 | H30 | 175.9° | 175.9° |
| O26 | C25 | N24 | H39 | 175.7° | 175.7° |
| N09 | N08 | C14 | O16 | 177.7° | 177.7° |
| N08 | N09 | C10 | H37 | 120.0° | 120.0° |
| N09 | N08 | C14 | C15 | 1.5° | 1.5° |
| N08 | N09 | C10 | C05 | 54.2° | 54.2° |
| N08 | N09 | C10 | C11 | 178.5° | 178.5° |
| N09 | N08 | C07 | H7 | 177.7° | 177.7° |
| N09 | N08 | C07 | H8 | 57.2° | 57.2° |
| N08 | N09 | C10 | H9 | 65.7° | 65.7° |
| N08 | C14 | O16 | C15 | 179.2° | 179.2° |
| C14 | N08 | N09 | C10 | 122.1° | 122.1° |
| N08 | C14 | C15 | N17 | 147.9° | 147.9° |
| N08 | C14 | C15 | C27 | 94.7° | 94.7° |
| C14 | N08 | C07 | H7 | 0.7° | 0.7° |
| C14 | N08 | C07 | H8 | 119.8° | 119.8° |
| N08 | C14 | C15 | H11 | 25.1° | 25.1° |
| C14 | N08 | N09 | H37 | 117.9° | 117.9° |
| O16 | C14 | C15 | N17 | 31.3° | 31.3° |
| O16 | C14 | C15 | C27 | 86.1° | 86.1° |
| O16 | C14 | C15 | H11 | 154.1° | 154.1° |
| N09 | C10 | C11 | O29 | 51.0° | 51.0° |
| N09 | C10 | C05 | C06 | 53.3° | 53.3° |
| N09 | C10 | C05 | C11 | 118.5° | 118.5° |
| N09 | C10 | C05 | H9 | 120.3° | 120.3° |
| N09 | C10 | C11 | H9 | 116.2° | 116.2° |
| N09 | C10 | C11 | O12 | 122.7° | 122.7° |
| N09 | C10 | C05 | H3 | 173.5° | 173.5° |
| N09 | C10 | C05 | H4 | 66.9° | 66.9° |
| O29 | C11 | C10 | C05 | 71.6° | 71.6° |
| O29 | C11 | C10 | O12 | 173.7° | 173.7° |
| O29 | C11 | O12 | C13 | 1.5° | 1.5° |
| O29 | C11 | C10 | H9 | 167.2° | 167.2° |
| N17 | C15 | C14 | C27 | 117.4° | 117.4° |
| N17 | C15 | C14 | H11 | 122.8° | 122.8° |
| N17 | C15 | C27 | H11 | 119.8° | 119.8° |
| N17 | C15 | C27 | H20 | 180.0° | 180.0° |
| N17 | C15 | C27 | H21 | 60.0° | 60.0° |
| N17 | C15 | C27 | H22 | 60.0° | 60.0° |
| C14 | C15 | C27 | H11 | 119.9° | 119.9° |
| C14 | C15 | C27 | H20 | 59.7° | 59.7° |
| C14 | C15 | C27 | H21 | 179.7° | 179.7° |
| C14 | C15 | C27 | H22 | 60.3° | 60.3° |
| C14 | C15 | N17 | H38 | 86.3° | 86.4° |
| C32 | C01 | C02 | H1 | 180.0° | 180.0° |
| C32 | C01 | C02 | C03 | 3.3° | 3.3° |
| C01 | C32 | C33 | C34 | 179.3° | 179.3° |
| C01 | C32 | C33 | N04 | 1.0° | 1.0° |
| C32 | C01 | C02 | H2 | 176.8° | 176.7° |
| C01 | C32 | C37 | H30 | 1.4° | 1.4° |
| C33 | C32 | C01 | C02 | 2.3° | 2.3° |
| C32 | C33 | C34 | C35 | 0.3° | 0.3° |
| C32 | C33 | C34 | N04 | 178.4° | 178.4° |
| C32 | C33 | N04 | C03 | 3.3° | 3.3° |
| C33 | C32 | C01 | H1 | 177.7° | 177.7° |
| C32 | C33 | C34 | H28 | 179.7° | 179.7° |
| C33 | C32 | C37 | H30 | 177.0° | 177.0° |
| C01 | C02 | C03 | H2 | 180.0° | 180.0° |
| C01 | C02 | C03 | N04 | 1.0° | 1.0° |
| C01 | C02 | C03 | C13 | 178.8° | 178.8° |
| C06 | C05 | C10 | H3 | 120.2° | 120.2° |
| C06 | C05 | C10 | H4 | 120.2° | 120.2° |
| C06 | C05 | C10 | C11 | 171.8° | 171.8° |
| C06 | C05 | H3 | H4 | 119.5° | 119.5° |
| C05 | C06 | H5 | H6 | 120.2° | 120.2° |
| C05 | C06 | C07 | H7 | 176.5° | 176.5° |
| C05 | C06 | C07 | H8 | 63.0° | 63.0° |
| C06 | C05 | C10 | H9 | 67.0° | 67.0° |
| C31 | C35 | C34 | C33 | 178.7° | 178.7° |
| C35 | C31 | C30 | H26 | 3.7° | 3.7° |
| C31 | C35 | C34 | H28 | 1.3° | 1.3° |
| C31 | C35 | C36 | H29 | 0.9° | 0.9° |
| C35 | C34 | C33 | H28 | 180.0° | 180.0° |
| C35 | C34 | C33 | N04 | 178.7° | 178.7° |
| C34 | C35 | C31 | H27 | 17.9° | 17.9° |
| C34 | C35 | C36 | H29 | 177.1° | 177.1° |
| C15 | C27 | H20 | H21 | 120.0° | 120.0° |
| C15 | C27 | H20 | H22 | 120.0° | 120.0° |
| C15 | C27 | H21 | H22 | 120.0° | 120.0° |
| C27 | C15 | N17 | H38 | 32.2° | 32.2° |
| C05 | C10 | C11 | H9 | 121.2° | 121.2° |
| C05 | C10 | C11 | O12 | 114.7° | 114.7° |
| C10 | C05 | H3 | H4 | 119.4° | 119.4° |
| C10 | C05 | C06 | H5 | 65.6° | 65.6° |
| C10 | C05 | C06 | H6 | 174.2° | 174.2° |
| C05 | C10 | N09 | H37 | 65.7° | 65.7° |
| C10 | C11 | O12 | C13 | 175.1° | 175.1° |
| C11 | C10 | C05 | H3 | 68.0° | 68.0° |
| C11 | C10 | C05 | H4 | 51.6° | 51.6° |
| C11 | C10 | N09 | H37 | 58.5° | 58.5° |
| C02 | C03 | N04 | C33 | 2.3° | 2.3° |
| C02 | C03 | N04 | C13 | 178.1° | 178.1° |
| C02 | C03 | C13 | O12 | 136.3° | 136.3° |
| C02 | C03 | C13 | C28 | 109.2° | 109.2° |
| C03 | C02 | C01 | H1 | 176.7° | 176.7° |
| C02 | C03 | C13 | H10 | 15.0° | 15.0° |
| C11 | O12 | C13 | C03 | 61.1° | 61.1° |
| C11 | O12 | C13 | C28 | 178.2° | 178.2° |
| O12 | C11 | C10 | H9 | 6.5° | 6.5° |
| C11 | O12 | C13 | H10 | 59.9° | 59.9° |
| C34 | C33 | N04 | C03 | 178.3° | 178.3° |
| C33 | N04 | C03 | C13 | 175.8° | 175.8° |
| N04 | C33 | C34 | H28 | 1.3° | 1.3° |
| N04 | C03 | C13 | O12 | 41.6° | 41.6° |
| N04 | C03 | C13 | C28 | 72.8° | 72.8° |
| N04 | C03 | C02 | H2 | 179.1° | 179.0° |
| N04 | C03 | C13 | H10 | 163.0° | 163.0° |
| C03 | C13 | O12 | C28 | 120.7° | 120.7° |
| C03 | C13 | O12 | H10 | 120.9° | 120.9° |
| C03 | C13 | C28 | H10 | 124.2° | 124.2° |
| C13 | C03 | C02 | H2 | 1.2° | 1.2° |
| C03 | C13 | C28 | H23 | 180.0° | 180.0° |
| C03 | C13 | C28 | H24 | 60.0° | 60.0° |
| C03 | C13 | C28 | H25 | 60.0° | 60.0° |
| O12 | C13 | C28 | H10 | 118.7° | 118.7° |
| O12 | C13 | C28 | H23 | 62.9° | 62.9° |
| O12 | C13 | C28 | H24 | 177.1° | 177.1° |
| O12 | C13 | C28 | H25 | 57.1° | 57.1° |
| C13 | C28 | H23 | H24 | 120.0° | 120.0° |
| C13 | C28 | H23 | H25 | 120.0° | 120.0° |
| C13 | C28 | H24 | H25 | 120.0° | 120.0° |
| H1 | C01 | C02 | H2 | 3.2° | 3.3° |
| H3 | C05 | C06 | H5 | 54.6° | 54.6° |
| H3 | C05 | C06 | H6 | 65.6° | 65.6° |
| H3 | C05 | C10 | H9 | 53.2° | 53.2° |
| H4 | C05 | C06 | H5 | 174.2° | 174.2° |
| H4 | C05 | C06 | H6 | 54.1° | 54.1° |
| H4 | C05 | C10 | H9 | 172.8° | 172.8° |
| H5 | C06 | C07 | H7 | 56.6° | 56.6° |
| H5 | C06 | C07 | H8 | 177.1° | 177.1° |
| H6 | C06 | C07 | H7 | 63.6° | 63.6° |
| H6 | C06 | C07 | H8 | 56.9° | 56.9° |
| H9 | C10 | N09 | H37 | 174.3° | 174.3° |
| H10 | C13 | C28 | H23 | 55.8° | 55.8° |
| H10 | C13 | C28 | H24 | 64.1° | 64.1° |
| H10 | C13 | C28 | H25 | 175.8° | 175.8° |
| H11 | C15 | C27 | H20 | 60.1° | 60.2° |
| H11 | C15 | C27 | H21 | 59.8° | 59.8° |
| H11 | C15 | C27 | H22 | 179.8° | 179.8° |
| H11 | C15 | N17 | H38 | 151.4° | 151.3° |
| H12 | C19 | C21 | H13 | 179.0° | 179.0° |
| H12 | C19 | N24 | H39 | 155.1° | 155.1° |
| H13 | C21 | C22 | H14 | 59.6° | 59.6° |
| H13 | C21 | C22 | H15 | 179.6° | 179.6° |
| H13 | C21 | C22 | H16 | 60.4° | 60.4° |
| H13 | C21 | C23 | H17 | 59.7° | 59.7° |
| H13 | C21 | C23 | H18 | 60.4° | 60.4° |
| H13 | C21 | C23 | H19 | 179.7° | 179.7° |
| H14 | C22 | H15 | H16 | 120.0° | 120.0° |
| H17 | C23 | H18 | H19 | 120.0° | 120.0° |
| H20 | C27 | H21 | H22 | 120.0° | 120.0° |
| H23 | C28 | H24 | H25 | 120.0° | 120.0° |
| H26 | C30 | C31 | H27 | 176.3° | 176.3° |
| H29 | C36 | C37 | H30 | 4.1° | 4.1° |
| H31 | C39 | H32 | H33 | 120.0° | 120.0° |
| H34 | C40 | H35 | H36 | 120.0° | 120.0° |
