UOJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | C41 | sing | 1.54Å | 1.53Å | |
| C02 | C01 | sing | 1.54Å | 1.55Å | |
| C03 | C41 | sing | 1.54Å | 1.55Å | |
| C03 | C01 | sing | 1.54Å | 1.55Å | |
| C01 | C23 | sing | 1.53Å | 1.52Å | |
| O24 | C22 | doub | 1.21Å | 1.23Å | |
| C39 | C04 | sing | 1.53Å | 1.54Å | |
| C23 | O25 | sing | 1.45Å | 1.47Å | |
| C23 | C22 | sing | 1.51Å | 1.53Å | |
| O25 | C26 | sing | 1.34Å | 1.37Å | |
| C22 | N21 | sing | 1.36Å | 1.36Å | |
| C11 | N12 | sing | 1.47Å | 1.46Å | |
| C11 | C10 | sing | 1.53Å | 1.54Å | |
| C30 | C04 | sing | 1.50Å | 1.53Å | |
| C30 | C31 | doub | 1.33Å | 1.36Å | |
| C37 | C36 | doub | 1.36Å | 1.40Å | Aromatic |
| C37 | C32 | sing | 1.41Å | 1.42Å | Aromatic |
| C04 | C26 | sing | 1.51Å | 1.54Å | |
| C04 | C40 | sing | 1.53Å | 1.54Å | |
| N12 | N13 | sing | 1.39Å | 1.42Å | |
| N12 | C18 | sing | 1.33Å | 1.37Å | |
| C36 | C35 | sing | 1.40Å | 1.40Å | Aromatic |
| C26 | O27 | doub | 1.21Å | 1.23Å | |
| N13 | C14 | sing | 1.48Å | 1.49Å | |
| O29 | C15 | doub | 1.21Å | 1.22Å | |
| O20 | C18 | doub | 1.21Å | 1.24Å | |
| N21 | C19 | sing | 1.48Å | 1.46Å | |
| C18 | C19 | sing | 1.50Å | 1.53Å | |
| C10 | C09 | sing | 1.53Å | 1.52Å | |
| C09 | C14 | sing | 1.53Å | 1.54Å | |
| C05 | C32 | doub | 1.41Å | 1.40Å | Aromatic |
| C05 | C06 | sing | 1.37Å | 1.40Å | Aromatic |
| C32 | C33 | sing | 1.42Å | 1.41Å | Aromatic |
| C19 | C28 | sing | 1.53Å | 1.53Å | |
| C35 | C31 | sing | 1.48Å | 1.47Å | |
| C35 | C34 | doub | 1.39Å | 1.41Å | Aromatic |
| C14 | C15 | sing | 1.50Å | 1.54Å | |
| C15 | N16 | sing | 1.37Å | 1.39Å | |
| C06 | C07 | doub | 1.39Å | 1.40Å | Aromatic |
| C33 | C34 | sing | 1.40Å | 1.40Å | Aromatic |
| C33 | N08 | doub | 1.34Å | 1.35Å | Aromatic |
| C07 | N08 | sing | 1.31Å | 1.37Å | Aromatic |
| C07 | C17 | sing | 1.51Å | 1.51Å | |
| N16 | C17 | sing | 1.48Å | 1.50Å | |
| C17 | C38 | sing | 1.53Å | 1.53Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C02 | H2 | sing | 1.09Å | 1.10Å | |
| C02 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.09Å | 1.10Å | |
| C03 | H5 | sing | 1.09Å | 1.10Å | |
| C05 | H6 | sing | 1.08Å | 1.08Å | |
| C06 | H7 | sing | 1.08Å | 1.08Å | |
| C09 | H8 | sing | 1.09Å | 1.10Å | |
| C09 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.10Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C28 | H18 | sing | 1.09Å | 1.10Å | |
| C28 | H19 | sing | 1.09Å | 1.10Å | |
| C28 | H20 | sing | 1.09Å | 1.10Å | |
| C30 | H21 | sing | 1.08Å | 1.08Å | |
| C31 | H22 | sing | 1.07Å | 1.08Å | |
| C34 | H23 | sing | 1.08Å | 1.08Å | |
| C36 | H24 | sing | 1.08Å | 1.08Å | |
| C37 | H25 | sing | 1.08Å | 1.08Å | |
| C38 | H26 | sing | 1.09Å | 1.10Å | |
| C38 | H27 | sing | 1.09Å | 1.10Å | |
| C38 | H28 | sing | 1.09Å | 1.10Å | |
| C39 | H29 | sing | 1.09Å | 1.10Å | |
| C39 | H30 | sing | 1.09Å | 1.10Å | |
| C39 | H31 | sing | 1.09Å | 1.10Å | |
| C40 | H32 | sing | 1.09Å | 1.10Å | |
| C40 | H33 | sing | 1.09Å | 1.10Å | |
| C40 | H34 | sing | 1.09Å | 1.10Å | |
| C41 | H35 | sing | 1.09Å | 1.10Å | |
| C41 | H36 | sing | 1.09Å | 1.10Å | |
| N13 | H37 | sing | 1.01Å | 1.00Å | |
| N16 | H38 | sing | 0.97Å | 1.00Å | |
| N21 | H39 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C41 | C02 | C01 | 89.3° | 87.1° |
| C02 | C41 | C03 | 89.8° | 87.1° |
| C41 | C02 | H2 | 114.2° | 113.6° |
| C41 | C02 | H3 | 114.2° | 113.6° |
| C02 | C41 | H35 | 114.2° | 113.6° |
| C02 | C41 | H36 | 114.1° | 113.6° |
| C02 | C01 | C03 | 89.1° | 87.2° |
| C02 | C01 | C23 | 115.5° | 113.6° |
| C02 | C01 | H1 | 112.5° | 113.6° |
| C01 | C02 | H2 | 114.3° | 113.5° |
| C01 | C02 | H3 | 114.2° | 113.7° |
| C41 | C03 | C01 | 88.7° | 87.0° |
| C41 | C03 | H4 | 114.4° | 113.6° |
| C41 | C03 | H5 | 114.4° | 113.6° |
| C03 | C41 | H35 | 114.1° | 113.7° |
| C03 | C41 | H36 | 114.1° | 113.6° |
| C03 | C01 | C23 | 112.1° | 113.6° |
| C03 | C01 | H1 | 112.5° | 113.6° |
| C01 | C03 | H4 | 114.4° | 113.7° |
| C01 | C03 | H5 | 114.4° | 113.6° |
| C01 | C23 | O25 | 106.6° | 109.6° |
| C01 | C23 | C22 | 113.2° | 109.5° |
| C23 | C01 | H1 | 113.0° | 112.8° |
| C01 | C23 | H17 | 111.3° | 109.6° |
| O24 | C22 | C23 | 123.5° | 120.7° |
| O24 | C22 | N21 | 121.8° | 120.6° |
| C39 | C04 | C30 | 108.0° | 109.7° |
| C39 | C04 | C26 | 114.9° | 109.6° |
| C39 | C04 | C40 | 111.9° | 109.6° |
| C04 | C39 | H29 | 109.5° | 109.5° |
| C04 | C39 | H30 | 109.5° | 109.5° |
| C04 | C39 | H31 | 109.4° | 109.5° |
| O25 | C23 | C22 | 102.0° | 108.9° |
| C23 | O25 | C26 | 117.7° | 117.3° |
| O25 | C23 | H17 | 112.1° | 109.6° |
| C23 | C22 | N21 | 114.8° | 118.7° |
| C22 | C23 | H17 | 111.2° | 109.6° |
| O25 | C26 | C04 | 112.0° | 119.8° |
| O25 | C26 | O27 | 124.6° | 120.0° |
| C22 | N21 | C19 | 120.8° | 116.3° |
| C22 | N21 | H39 | 119.6° | 121.9° |
| N12 | C11 | C10 | 110.4° | 108.9° |
| C11 | N12 | N13 | 116.5° | 118.2° |
| C11 | N12 | C18 | 127.0° | 123.4° |
| N12 | C11 | H12 | 109.2° | 109.6° |
| N12 | C11 | H13 | 109.3° | 109.6° |
| C11 | C10 | C09 | 105.4° | 111.2° |
| C11 | C10 | H10 | 110.5° | 109.1° |
| C11 | C10 | H11 | 110.4° | 109.1° |
| C10 | C11 | H12 | 109.2° | 109.5° |
| C10 | C11 | H13 | 109.2° | 109.5° |
| C04 | C30 | C31 | 125.4° | 122.1° |
| C30 | C04 | C26 | 98.8° | 108.8° |
| C30 | C04 | C40 | 114.7° | 109.6° |
| C04 | C30 | H21 | 117.3° | 119.1° |
| C30 | C31 | C35 | 122.4° | 117.3° |
| C31 | C30 | H21 | 117.3° | 118.7° |
| C30 | C31 | H22 | 118.8° | 121.6° |
| C36 | C37 | C32 | 120.4° | 120.2° |
| C37 | C36 | C35 | 120.3° | 120.4° |
| C37 | C36 | H24 | 119.8° | 119.7° |
| C36 | C37 | H25 | 119.8° | 119.9° |
| C37 | C32 | C05 | 123.1° | 121.5° |
| C37 | C32 | C33 | 119.8° | 119.7° |
| C32 | C37 | H25 | 119.8° | 119.9° |
| C26 | C04 | C40 | 108.1° | 109.5° |
| C04 | C26 | O27 | 123.4° | 120.1° |
| C04 | C40 | H32 | 109.5° | 109.5° |
| C04 | C40 | H33 | 109.5° | 109.4° |
| C04 | C40 | H34 | 109.5° | 109.4° |
| N13 | N12 | C18 | 116.6° | 118.3° |
| N12 | N13 | C14 | 108.4° | 109.0° |
| N12 | N13 | H37 | 109.7° | 111.0° |
| N12 | C18 | O20 | 121.1° | 118.1° |
| N12 | C18 | C19 | 119.5° | 123.8° |
| C36 | C35 | C31 | 121.3° | 121.8° |
| C36 | C35 | C34 | 118.9° | 120.7° |
| C35 | C36 | H24 | 119.8° | 119.8° |
| N13 | C14 | C09 | 108.5° | 109.3° |
| N13 | C14 | C15 | 102.8° | 110.0° |
| N13 | C14 | H14 | 110.5° | 107.9° |
| C14 | N13 | H37 | 109.7° | 111.0° |
| O29 | C15 | C14 | 120.9° | 121.6° |
| O29 | C15 | N16 | 123.4° | 121.6° |
| O20 | C18 | C19 | 119.4° | 118.1° |
| N21 | C19 | C18 | 110.3° | 108.2° |
| N21 | C19 | C28 | 107.4° | 109.7° |
| N21 | C19 | H16 | 109.9° | 109.7° |
| C19 | N21 | H39 | 119.6° | 121.8° |
| C18 | C19 | C28 | 111.2° | 109.7° |
| C18 | C19 | H16 | 109.0° | 109.8° |
| C10 | C09 | C14 | 108.9° | 110.4° |
| C10 | C09 | H8 | 109.6° | 109.3° |
| C10 | C09 | H9 | 109.6° | 109.1° |
| C09 | C10 | H10 | 110.5° | 109.1° |
| C09 | C10 | H11 | 110.5° | 109.1° |
| C09 | C14 | C15 | 115.3° | 111.4° |
| C14 | C09 | H8 | 109.6° | 109.3° |
| C14 | C09 | H9 | 109.6° | 109.3° |
| C09 | C14 | H14 | 109.8° | 109.0° |
| C32 | C05 | C06 | 121.1° | 118.3° |
| C05 | C32 | C33 | 117.1° | 118.7° |
| C32 | C05 | H6 | 119.4° | 120.9° |
| C05 | C06 | C07 | 117.8° | 119.9° |
| C06 | C05 | H6 | 119.5° | 120.8° |
| C05 | C06 | H7 | 121.1° | 120.1° |
| C32 | C33 | C34 | 118.5° | 119.2° |
| C32 | C33 | N08 | 122.5° | 120.1° |
| C28 | C19 | H16 | 108.9° | 109.7° |
| C19 | C28 | H18 | 109.5° | 109.5° |
| C19 | C28 | H19 | 109.5° | 109.5° |
| C19 | C28 | H20 | 109.5° | 109.5° |
| C31 | C35 | C34 | 119.9° | 117.5° |
| C35 | C31 | H22 | 118.8° | 121.0° |
| C35 | C34 | C33 | 122.1° | 119.7° |
| C35 | C34 | H23 | 118.9° | 120.2° |
| C14 | C15 | N16 | 115.6° | 116.8° |
| C15 | C14 | H14 | 109.8° | 109.1° |
| C15 | N16 | C17 | 124.6° | 116.1° |
| C15 | N16 | H38 | 117.7° | 122.0° |
| C06 | C07 | N08 | 121.8° | 121.9° |
| C06 | C07 | C17 | 122.8° | 119.7° |
| C07 | C06 | H7 | 121.1° | 120.1° |
| C34 | C33 | N08 | 119.0° | 120.7° |
| C33 | C34 | H23 | 118.9° | 120.2° |
| C33 | N08 | C07 | 119.5° | 121.1° |
| N08 | C07 | C17 | 115.4° | 118.4° |
| C07 | C17 | N16 | 105.9° | 106.9° |
| C07 | C17 | C38 | 109.9° | 110.0° |
| C07 | C17 | H15 | 110.0° | 110.0° |
| N16 | C17 | C38 | 110.9° | 109.9° |
| N16 | C17 | H15 | 110.2° | 110.1° |
| C17 | N16 | H38 | 117.7° | 122.0° |
| C38 | C17 | H15 | 109.8° | 109.9° |
| C17 | C38 | H26 | 109.5° | 109.5° |
| C17 | C38 | H27 | 109.4° | 109.5° |
| C17 | C38 | H28 | 109.5° | 109.5° |
| H2 | C02 | H3 | 109.5° | 112.9° |
| H4 | C03 | H5 | 109.4° | 112.9° |
| H8 | C09 | H9 | 109.4° | 109.3° |
| H10 | C10 | H11 | 109.5° | 109.1° |
| H12 | C11 | H13 | 109.5° | 109.6° |
| H18 | C28 | H19 | 109.5° | 109.5° |
| H18 | C28 | H20 | 109.5° | 109.5° |
| H19 | C28 | H20 | 109.5° | 109.4° |
| H26 | C38 | H27 | 109.5° | 109.5° |
| H26 | C38 | H28 | 109.4° | 109.5° |
| H27 | C38 | H28 | 109.5° | 109.5° |
| H29 | C39 | H30 | 109.4° | 109.5° |
| H29 | C39 | H31 | 109.4° | 109.5° |
| H30 | C39 | H31 | 109.5° | 109.5° |
| H32 | C40 | H33 | 109.5° | 109.4° |
| H32 | C40 | H34 | 109.4° | 109.5° |
| H33 | C40 | H34 | 109.5° | 109.5° |
| H35 | C41 | H36 | 109.5° | 112.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C41 | C02 | C01 | H2 | 116.4° | 114.5° |
| C41 | C02 | C01 | H3 | 116.4° | 114.6° |
| C02 | C41 | C03 | H35 | 116.5° | 114.6° |
| C02 | C41 | C03 | H36 | 116.5° | 114.5° |
| C41 | C02 | C01 | C03 | 13.3° | 25.4° |
| C41 | C02 | C01 | C23 | 100.8° | 140.0° |
| C41 | C02 | C01 | H1 | 127.4° | 89.2° |
| C41 | C02 | H2 | H3 | 129.5° | 131.2° |
| C02 | C41 | C03 | H4 | 129.6° | 140.0° |
| C02 | C41 | C03 | H5 | 103.0° | 89.1° |
| C02 | C41 | H35 | H36 | 129.3° | 131.2° |
| C02 | C01 | C03 | C23 | 117.2° | 114.6° |
| C02 | C01 | C03 | H1 | 114.1° | 114.6° |
| C02 | C01 | C23 | H1 | 131.6° | 131.2° |
| C02 | C01 | C23 | O25 | 77.8° | 166.0° |
| C02 | C01 | C23 | C22 | 170.8° | 74.6° |
| C01 | C02 | H2 | H3 | 129.5° | 131.3° |
| C02 | C01 | C03 | H4 | 129.5° | 139.9° |
| C02 | C01 | C03 | H5 | 103.1° | 89.1° |
| C02 | C01 | C23 | H17 | 44.7° | 45.7° |
| C01 | C02 | C41 | H35 | 103.2° | 140.0° |
| C01 | C02 | C41 | H36 | 129.9° | 89.2° |
| C41 | C03 | C01 | H4 | 116.3° | 114.5° |
| C41 | C03 | C01 | H5 | 116.3° | 114.5° |
| C41 | C03 | C01 | C23 | 104.0° | 140.0° |
| C41 | C03 | C01 | H1 | 127.3° | 89.3° |
| C03 | C41 | C02 | H2 | 103.1° | 89.1° |
| C03 | C41 | C02 | H3 | 129.8° | 140.0° |
| C41 | C03 | H4 | H5 | 129.9° | 131.2° |
| C03 | C41 | H35 | H36 | 129.3° | 131.2° |
| C03 | C01 | C23 | H1 | 128.4° | 131.2° |
| C03 | C01 | C23 | O25 | 177.9° | 96.3° |
| C03 | C01 | C23 | C22 | 70.8° | 23.1° |
| C03 | C01 | C02 | H2 | 103.1° | 89.1° |
| C03 | C01 | C02 | H3 | 129.8° | 139.9° |
| C01 | C03 | H4 | H5 | 129.9° | 131.3° |
| C03 | C01 | C23 | H17 | 55.3° | 143.4° |
| C01 | C03 | C41 | H35 | 103.2° | 139.9° |
| C01 | C03 | C41 | H36 | 129.9° | 89.2° |
| C01 | C23 | C22 | O24 | 55.8° | 141.1° |
| C01 | C23 | O25 | C22 | 118.9° | 119.8° |
| C01 | C23 | O25 | H17 | 122.1° | 120.2° |
| C01 | C23 | C22 | H17 | 126.2° | 120.2° |
| C01 | C23 | O25 | C26 | 143.9° | 51.1° |
| C01 | C23 | C22 | N21 | 126.2° | 38.9° |
| C23 | C01 | C02 | H2 | 142.7° | 25.5° |
| C23 | C01 | C02 | H3 | 15.6° | 105.4° |
| C23 | C01 | C03 | H4 | 12.3° | 105.5° |
| C23 | C01 | C03 | H5 | 139.7° | 25.5° |
| O24 | C22 | C23 | O25 | 58.3° | 21.2° |
| O24 | C22 | C23 | N21 | 178.0° | 180.0° |
| O24 | C22 | N21 | C19 | 1.8° | 2.8° |
| O24 | C22 | C23 | H17 | 178.0° | 98.7° |
| O24 | C22 | N21 | H39 | 178.2° | 177.3° |
| C39 | C04 | C26 | O25 | 45.0° | 173.1° |
| C39 | C04 | C30 | C26 | 119.9° | 119.9° |
| C39 | C04 | C30 | C40 | 125.5° | 120.4° |
| C39 | C04 | C30 | C31 | 179.5° | 23.9° |
| C39 | C04 | C26 | C40 | 125.7° | 120.2° |
| C39 | C04 | C26 | O27 | 136.9° | 6.9° |
| C39 | C04 | C30 | H21 | 0.6° | 157.5° |
| C04 | C39 | H29 | H30 | 120.0° | 120.0° |
| C04 | C39 | H29 | H31 | 120.0° | 120.0° |
| C04 | C39 | H30 | H31 | 120.0° | 120.0° |
| C39 | C04 | C40 | H32 | 180.0° | 179.7° |
| C39 | C04 | C40 | H33 | 60.0° | 59.8° |
| C39 | C04 | C40 | H34 | 60.0° | 60.2° |
| O25 | C23 | C22 | H17 | 119.7° | 119.9° |
| O25 | C23 | C22 | N21 | 119.6° | 158.7° |
| C23 | O25 | C26 | C04 | 177.1° | 178.0° |
| C23 | O25 | C26 | O27 | 0.9° | 2.0° |
| O25 | C23 | C01 | H1 | 53.7° | 34.9° |
| C22 | C23 | O25 | C26 | 97.1° | 170.9° |
| C23 | C22 | N21 | C19 | 176.2° | 177.2° |
| C22 | C23 | C01 | H1 | 57.6° | 154.3° |
| C23 | C22 | N21 | H39 | 3.8° | 2.8° |
| O25 | C26 | C04 | C30 | 69.7° | 53.2° |
| O25 | C26 | C04 | O27 | 178.1° | 180.0° |
| O25 | C26 | C04 | C40 | 170.7° | 66.6° |
| C26 | O25 | C23 | H17 | 21.9° | 69.1° |
| C22 | N21 | C19 | H39 | 180.0° | 180.0° |
| C22 | N21 | C19 | C18 | 98.9° | 107.6° |
| C22 | N21 | C19 | C28 | 139.7° | 132.7° |
| C22 | N21 | C19 | H16 | 21.4° | 12.1° |
| N21 | C22 | C23 | H17 | 0.1° | 81.3° |
| N12 | C11 | C10 | H12 | 120.2° | 119.8° |
| N12 | C11 | C10 | H13 | 120.2° | 119.9° |
| C11 | N12 | N13 | C18 | 178.4° | 176.4° |
| C11 | N12 | N13 | C14 | 57.0° | 32.4° |
| C11 | N12 | C18 | O20 | 1.3° | 150.2° |
| C11 | N12 | C18 | C19 | 179.1° | 29.7° |
| N12 | C11 | C10 | C09 | 56.1° | 57.6° |
| N12 | C11 | C10 | H10 | 63.2° | 62.9° |
| N12 | C11 | C10 | H11 | 175.5° | 178.0° |
| N12 | C11 | H12 | H13 | 119.6° | 120.4° |
| C11 | N12 | N13 | H37 | 62.8° | 90.2° |
| C10 | C11 | N12 | N13 | 56.8° | 29.5° |
| C10 | C11 | N12 | C18 | 121.4° | 154.3° |
| C11 | C10 | C09 | H10 | 119.4° | 120.4° |
| C11 | C10 | C09 | H11 | 119.3° | 120.4° |
| C11 | C10 | C09 | C14 | 61.8° | 22.2° |
| C11 | C10 | C09 | H8 | 178.3° | 98.2° |
| C11 | C10 | C09 | H9 | 58.1° | 142.3° |
| C11 | C10 | H10 | H11 | 121.8° | 119.1° |
| C10 | C11 | H12 | H13 | 119.5° | 120.2° |
| C04 | C30 | C31 | H21 | 180.0° | 178.6° |
| C30 | C04 | C26 | C40 | 119.7° | 119.8° |
| C30 | C04 | C26 | O27 | 108.5° | 126.8° |
| C04 | C30 | C31 | C35 | 178.8° | 171.0° |
| C04 | C30 | C31 | H22 | 1.2° | 4.5° |
| C30 | C04 | C39 | H29 | 180.0° | 179.4° |
| C30 | C04 | C39 | H30 | 60.0° | 60.6° |
| C30 | C04 | C39 | H31 | 60.0° | 59.4° |
| C30 | C04 | C40 | H32 | 56.6° | 59.3° |
| C30 | C04 | C40 | H33 | 63.5° | 60.6° |
| C30 | C04 | C40 | H34 | 176.5° | 179.4° |
| C31 | C30 | C04 | C26 | 59.6° | 143.7° |
| C31 | C30 | C04 | C40 | 55.0° | 96.5° |
| C30 | C31 | C35 | C36 | 26.9° | 172.6° |
| C30 | C31 | C35 | H22 | 180.0° | 175.6° |
| C30 | C31 | C35 | C34 | 153.2° | 7.4° |
| C36 | C37 | C32 | H25 | 180.0° | 180.0° |
| C37 | C36 | C35 | H24 | 180.0° | 179.9° |
| C36 | C37 | C32 | C05 | 179.9° | 178.7° |
| C36 | C37 | C32 | C33 | 0.1° | 1.1° |
| C37 | C36 | C35 | C31 | 179.7° | 178.9° |
| C37 | C36 | C35 | C34 | 0.2° | 1.1° |
| C32 | C37 | C36 | C35 | 0.3° | 0.5° |
| C37 | C32 | C05 | C33 | 179.7° | 179.8° |
| C37 | C32 | C05 | C06 | 177.6° | 179.1° |
| C37 | C32 | C33 | C34 | 0.1° | 0.0° |
| C37 | C32 | C33 | N08 | 178.4° | 179.4° |
| C37 | C32 | C05 | H6 | 2.4° | 0.9° |
| C32 | C37 | C36 | H24 | 179.7° | 179.4° |
| C26 | C04 | C30 | H21 | 120.4° | 37.7° |
| C26 | C04 | C39 | H29 | 70.9° | 60.0° |
| C26 | C04 | C39 | H30 | 169.2° | 180.0° |
| C26 | C04 | C39 | H31 | 49.1° | 60.0° |
| C26 | C04 | C40 | H32 | 52.5° | 60.0° |
| C26 | C04 | C40 | H33 | 172.6° | 180.0° |
| C26 | C04 | C40 | H34 | 67.4° | 60.0° |
| C40 | C04 | C26 | O27 | 11.2° | 113.4° |
| C40 | C04 | C30 | H21 | 124.9° | 82.1° |
| C40 | C04 | C39 | H29 | 52.9° | 60.2° |
| C40 | C04 | C39 | H30 | 67.1° | 59.8° |
| C40 | C04 | C39 | H31 | 172.8° | 179.8° |
| C04 | C40 | H32 | H33 | 120.0° | 119.9° |
| C04 | C40 | H32 | H34 | 120.0° | 120.0° |
| C04 | C40 | H33 | H34 | 120.0° | 120.0° |
| N12 | N13 | C14 | H37 | 119.8° | 122.5° |
| N13 | N12 | C18 | O20 | 179.4° | 33.5° |
| N13 | N12 | C18 | C19 | 1.0° | 146.5° |
| N12 | N13 | C14 | C09 | 58.9° | 69.3° |
| N12 | N13 | C14 | C15 | 178.5° | 168.0° |
| N13 | N12 | C11 | H12 | 176.9° | 149.3° |
| N13 | N12 | C11 | H13 | 63.4° | 90.3° |
| N12 | N13 | C14 | H14 | 61.4° | 49.1° |
| C18 | N12 | N13 | C14 | 121.3° | 144.1° |
| N12 | C18 | O20 | C19 | 179.6° | 180.0° |
| N12 | C18 | C19 | N21 | 147.2° | 138.9° |
| N12 | C18 | C19 | C28 | 93.7° | 101.4° |
| C18 | N12 | C11 | H12 | 1.2° | 34.4° |
| C18 | N12 | C11 | H13 | 118.5° | 85.9° |
| N12 | C18 | C19 | H16 | 26.5° | 19.3° |
| C18 | N12 | N13 | H37 | 118.8° | 93.4° |
| C36 | C35 | C31 | C34 | 179.9° | 180.0° |
| C36 | C35 | C34 | C33 | 0.0° | 2.1° |
| C36 | C35 | C31 | H22 | 153.1° | 11.8° |
| C36 | C35 | C34 | H23 | 179.9° | 177.9° |
| C35 | C36 | C37 | H25 | 179.7° | 179.4° |
| N13 | C14 | C15 | O29 | 50.8° | 62.6° |
| N13 | C14 | C09 | C10 | 65.1° | 38.8° |
| N13 | C14 | C09 | C15 | 114.6° | 121.8° |
| N13 | C14 | C09 | H14 | 120.8° | 117.7° |
| N13 | C14 | C15 | H14 | 117.6° | 118.2° |
| N13 | C14 | C15 | N16 | 127.1° | 117.4° |
| N13 | C14 | C09 | H8 | 175.0° | 159.1° |
| N13 | C14 | C09 | H9 | 54.9° | 81.3° |
| O29 | C15 | C14 | C09 | 67.1° | 58.7° |
| O29 | C15 | C14 | N16 | 177.9° | 180.0° |
| O29 | C15 | N16 | C17 | 2.0° | 2.3° |
| O29 | C15 | C14 | H14 | 168.3° | 179.2° |
| O29 | C15 | N16 | H38 | 178.0° | 177.8° |
| O20 | C18 | C19 | N21 | 32.4° | 41.1° |
| O20 | C18 | C19 | C28 | 86.7° | 78.6° |
| O20 | C18 | C19 | H16 | 153.2° | 160.8° |
| N21 | C19 | C18 | C28 | 119.1° | 119.7° |
| N21 | C19 | C18 | H16 | 120.8° | 119.7° |
| N21 | C19 | C28 | H16 | 119.0° | 120.6° |
| N21 | C19 | C28 | H18 | 180.0° | 178.8° |
| N21 | C19 | C28 | H19 | 60.0° | 61.2° |
| N21 | C19 | C28 | H20 | 60.0° | 58.7° |
| C18 | C19 | C28 | H16 | 120.2° | 120.7° |
| C18 | C19 | C28 | H18 | 59.2° | 60.0° |
| C18 | C19 | C28 | H19 | 179.2° | 180.0° |
| C18 | C19 | C28 | H20 | 60.8° | 60.0° |
| C18 | C19 | N21 | H39 | 81.1° | 72.4° |
| C10 | C09 | C14 | H8 | 119.9° | 120.3° |
| C10 | C09 | C14 | H9 | 119.9° | 120.1° |
| C10 | C09 | C14 | C15 | 179.7° | 160.6° |
| C10 | C09 | H8 | H9 | 120.3° | 119.4° |
| C09 | C10 | H10 | H11 | 121.9° | 119.1° |
| C09 | C10 | C11 | H12 | 176.3° | 177.4° |
| C09 | C10 | C11 | H13 | 64.0° | 62.3° |
| C10 | C09 | C14 | H14 | 55.7° | 79.0° |
| C09 | C14 | C15 | H14 | 124.6° | 120.4° |
| C09 | C14 | C15 | N16 | 115.0° | 121.2° |
| C14 | C09 | H8 | H9 | 120.3° | 119.6° |
| C14 | C09 | C10 | H10 | 57.6° | 98.3° |
| C14 | C09 | C10 | H11 | 178.9° | 142.6° |
| C09 | C14 | N13 | H37 | 60.9° | 53.2° |
| C32 | C05 | C06 | H6 | 180.0° | 180.0° |
| C32 | C05 | C06 | C07 | 3.0° | 0.4° |
| C05 | C32 | C33 | C34 | 179.7° | 179.8° |
| C05 | C32 | C33 | N08 | 1.4° | 0.4° |
| C32 | C05 | C06 | H7 | 177.0° | 179.6° |
| C05 | C32 | C37 | H25 | 0.1° | 1.3° |
| C06 | C05 | C32 | C33 | 2.6° | 0.7° |
| C05 | C06 | C07 | H7 | 180.0° | 180.0° |
| C05 | C06 | C07 | N08 | 0.6° | 0.3° |
| C05 | C06 | C07 | C17 | 178.5° | 179.8° |
| C32 | C33 | C34 | C35 | 0.2° | 1.5° |
| C32 | C33 | C34 | N08 | 178.4° | 179.4° |
| C32 | C33 | N08 | C07 | 4.9° | 0.3° |
| C33 | C32 | C05 | H6 | 177.3° | 179.3° |
| C32 | C33 | C34 | H23 | 179.8° | 178.5° |
| C33 | C32 | C37 | H25 | 179.9° | 178.9° |
| C19 | C28 | H18 | H19 | 120.0° | 120.0° |
| C19 | C28 | H18 | H20 | 120.0° | 120.0° |
| C19 | C28 | H19 | H20 | 120.0° | 120.0° |
| C28 | C19 | N21 | H39 | 40.3° | 47.3° |
| C31 | C35 | C34 | C33 | 180.0° | 177.9° |
| C35 | C31 | C30 | H21 | 1.2° | 10.4° |
| C31 | C35 | C34 | H23 | 0.0° | 2.1° |
| C31 | C35 | C36 | H24 | 0.3° | 1.0° |
| C35 | C34 | C33 | H23 | 180.0° | 180.0° |
| C35 | C34 | C33 | N08 | 178.6° | 177.9° |
| C34 | C35 | C31 | H22 | 26.8° | 168.2° |
| C34 | C35 | C36 | H24 | 179.8° | 179.0° |
| C14 | C15 | N16 | C17 | 175.8° | 177.7° |
| C15 | C14 | C09 | H8 | 60.4° | 79.1° |
| C15 | C14 | C09 | H9 | 59.7° | 40.5° |
| C15 | C14 | N13 | H37 | 61.6° | 69.4° |
| C14 | C15 | N16 | H38 | 4.2° | 2.2° |
| C15 | N16 | C17 | C07 | 58.0° | 152.6° |
| C15 | N16 | C17 | H38 | 180.0° | 179.9° |
| C15 | N16 | C17 | C38 | 177.2° | 88.1° |
| N16 | C15 | C14 | H14 | 9.6° | 0.8° |
| C15 | N16 | C17 | H15 | 60.9° | 33.2° |
| C06 | C07 | N08 | C33 | 4.5° | 0.7° |
| C06 | C07 | N08 | C17 | 179.2° | 180.0° |
| C06 | C07 | C17 | N16 | 135.1° | 158.1° |
| C06 | C07 | C17 | C38 | 105.0° | 38.8° |
| C07 | C06 | C05 | H6 | 177.0° | 179.6° |
| C06 | C07 | C17 | H15 | 16.0° | 82.4° |
| C34 | C33 | N08 | C07 | 176.8° | 179.1° |
| C33 | N08 | C07 | C17 | 174.7° | 179.4° |
| N08 | C33 | C34 | H23 | 1.4° | 2.1° |
| N08 | C07 | C17 | N16 | 44.1° | 21.9° |
| N08 | C07 | C17 | C38 | 75.9° | 141.1° |
| N08 | C07 | C06 | H7 | 179.4° | 179.7° |
| N08 | C07 | C17 | H15 | 163.1° | 97.7° |
| C07 | C17 | N16 | C38 | 119.3° | 119.3° |
| C07 | C17 | N16 | H15 | 118.9° | 119.4° |
| C07 | C17 | C38 | H15 | 121.1° | 121.2° |
| C17 | C07 | C06 | H7 | 1.5° | 0.2° |
| C07 | C17 | C38 | H26 | 180.0° | 60.0° |
| C07 | C17 | C38 | H27 | 60.0° | 180.0° |
| C07 | C17 | C38 | H28 | 60.0° | 60.0° |
| C07 | C17 | N16 | H38 | 122.0° | 27.3° |
| N16 | C17 | C38 | H15 | 122.1° | 121.4° |
| N16 | C17 | C38 | H26 | 63.2° | 57.4° |
| N16 | C17 | C38 | H27 | 176.8° | 62.6° |
| N16 | C17 | C38 | H28 | 56.8° | 177.4° |
| C17 | C38 | H26 | H27 | 120.0° | 120.0° |
| C17 | C38 | H26 | H28 | 120.0° | 120.0° |
| C17 | C38 | H27 | H28 | 120.0° | 120.0° |
| C38 | C17 | N16 | H38 | 2.8° | 92.0° |
| H1 | C01 | C02 | H2 | 10.9° | 156.2° |
| H1 | C01 | C02 | H3 | 116.2° | 25.3° |
| H1 | C01 | C03 | H4 | 116.4° | 25.3° |
| H1 | C01 | C03 | H5 | 11.0° | 156.2° |
| H1 | C01 | C23 | H17 | 176.3° | 85.4° |
| H2 | C02 | C41 | H35 | 140.4° | 25.5° |
| H2 | C02 | C41 | H36 | 13.4° | 156.4° |
| H3 | C02 | C41 | H35 | 13.3° | 105.4° |
| H3 | C02 | C41 | H36 | 113.7° | 25.5° |
| H4 | C03 | C41 | H35 | 13.1° | 105.4° |
| H4 | C03 | C41 | H36 | 113.8° | 25.4° |
| H5 | C03 | C41 | H35 | 140.5° | 25.4° |
| H5 | C03 | C41 | H36 | 13.5° | 156.3° |
| H6 | C05 | C06 | H7 | 3.0° | 0.4° |
| H8 | C09 | C10 | H10 | 62.4° | 141.4° |
| H8 | C09 | C10 | H11 | 59.0° | 22.3° |
| H8 | C09 | C14 | H14 | 64.2° | 41.4° |
| H9 | C09 | C10 | H10 | 177.5° | 21.9° |
| H9 | C09 | C10 | H11 | 61.2° | 97.3° |
| H9 | C09 | C14 | H14 | 175.7° | 160.9° |
| H10 | C10 | C11 | H12 | 56.9° | 57.0° |
| H10 | C10 | C11 | H13 | 176.6° | 177.2° |
| H11 | C10 | C11 | H12 | 64.3° | 62.2° |
| H11 | C10 | C11 | H13 | 55.3° | 58.1° |
| H14 | C14 | N13 | H37 | 178.7° | 171.6° |
| H15 | C17 | C38 | H26 | 58.9° | 178.8° |
| H15 | C17 | C38 | H27 | 61.1° | 58.8° |
| H15 | C17 | C38 | H28 | 178.9° | 61.2° |
| H15 | C17 | N16 | H38 | 119.1° | 146.7° |
| H16 | C19 | C28 | H18 | 61.0° | 60.7° |
| H16 | C19 | C28 | H19 | 59.0° | 59.4° |
| H16 | C19 | C28 | H20 | 179.0° | 179.3° |
| H16 | C19 | N21 | H39 | 158.6° | 167.9° |
| H18 | C28 | H19 | H20 | 120.0° | 120.0° |
| H21 | C30 | C31 | H22 | 178.8° | 174.1° |
| H24 | C36 | C37 | H25 | 0.3° | 0.6° |
| H26 | C38 | H27 | H28 | 120.0° | 120.0° |
| H29 | C39 | H30 | H31 | 120.0° | 120.0° |
| H32 | C40 | H33 | H34 | 119.9° | 120.1° |
