UXE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C37 | C38 | sing | 1.53Å | 1.55Å | |
| C37 | N06 | sing | 1.47Å | 1.50Å | |
| C07 | N06 | sing | 1.47Å | 1.52Å | |
| C07 | C08 | sing | 1.51Å | 1.56Å | |
| C38 | C02 | sing | 1.53Å | 1.56Å | |
| C31 | C30 | doub | 1.38Å | 1.40Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.40Å | Aromatic |
| N06 | C05 | sing | 1.47Å | 1.46Å | |
| C30 | C29 | sing | 1.38Å | 1.41Å | Aromatic |
| N11 | C08 | doub | 1.32Å | 1.37Å | Aromatic |
| N11 | C12 | sing | 1.32Å | 1.37Å | Aromatic |
| C08 | C09 | sing | 1.38Å | 1.41Å | Aromatic |
| C03 | C02 | sing | 1.53Å | 1.56Å | |
| C05 | C04 | sing | 1.53Å | 1.53Å | |
| C32 | C33 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | doub | 1.39Å | 1.43Å | Aromatic |
| C02 | C04 | sing | 1.53Å | 1.52Å | |
| C02 | C01 | sing | 1.53Å | 1.54Å | |
| C09 | C10 | doub | 1.38Å | 1.41Å | Aromatic |
| C29 | C28 | sing | 1.51Å | 1.55Å | |
| C29 | C34 | doub | 1.38Å | 1.40Å | Aromatic |
| C28 | N27 | sing | 1.46Å | 1.51Å | |
| C13 | C10 | sing | 1.39Å | 1.38Å | Aromatic |
| C13 | N14 | sing | 1.40Å | 1.41Å | |
| C33 | C34 | sing | 1.38Å | 1.40Å | Aromatic |
| N27 | C26 | sing | 1.39Å | 1.41Å | |
| N14 | C15 | sing | 1.46Å | 1.45Å | |
| C19 | C20 | sing | 1.53Å | 1.56Å | |
| C19 | C16 | sing | 1.53Å | 1.52Å | |
| C20 | N21 | sing | 1.47Å | 1.46Å | |
| C35 | C26 | doub | 1.39Å | 1.46Å | Aromatic |
| C35 | C22 | sing | 1.39Å | 1.42Å | Aromatic |
| C26 | N25 | sing | 1.33Å | 1.37Å | Aromatic |
| C15 | C16 | sing | 1.53Å | 1.56Å | |
| O36 | C16 | sing | 1.43Å | 1.40Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| N21 | C22 | sing | 1.39Å | 1.43Å | |
| N21 | C18 | sing | 1.47Å | 1.50Å | |
| C22 | N23 | doub | 1.33Å | 1.38Å | Aromatic |
| N25 | C24 | doub | 1.32Å | 1.35Å | Aromatic |
| C17 | C18 | sing | 1.53Å | 1.55Å | |
| N23 | C24 | sing | 1.32Å | 1.36Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| 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 | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C20 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.08Å | 1.08Å | |
| C28 | H9 | sing | 1.09Å | 1.10Å | |
| C28 | H10 | sing | 1.09Å | 1.10Å | |
| C01 | H11 | sing | 1.09Å | 1.10Å | |
| C01 | H12 | sing | 1.09Å | 1.10Å | |
| C01 | H13 | sing | 1.09Å | 1.10Å | |
| C03 | H14 | sing | 1.09Å | 1.10Å | |
| C03 | H15 | sing | 1.09Å | 1.10Å | |
| C03 | H16 | sing | 1.09Å | 1.10Å | |
| C04 | H17 | sing | 1.09Å | 1.10Å | |
| C04 | H18 | sing | 1.09Å | 1.10Å | |
| C05 | H19 | sing | 1.09Å | 1.10Å | |
| C05 | H20 | sing | 1.09Å | 1.10Å | |
| C07 | H21 | sing | 1.09Å | 1.10Å | |
| C07 | H22 | sing | 1.09Å | 1.10Å | |
| C09 | H23 | sing | 1.08Å | 1.08Å | |
| C12 | H24 | sing | 1.08Å | 1.08Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| C30 | H29 | sing | 1.08Å | 1.08Å | |
| C31 | H30 | sing | 1.08Å | 1.08Å | |
| C32 | H31 | sing | 1.08Å | 1.08Å | |
| C33 | H32 | sing | 1.08Å | 1.08Å | |
| C34 | H33 | sing | 1.08Å | 1.08Å | |
| C35 | H34 | sing | 1.08Å | 1.08Å | |
| C37 | H35 | sing | 1.09Å | 1.10Å | |
| C37 | H36 | sing | 1.09Å | 1.10Å | |
| C38 | H37 | sing | 1.09Å | 1.10Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| N14 | H40 | sing | 0.97Å | 1.00Å | |
| N27 | H41 | sing | 0.97Å | 1.00Å | |
| O36 | H42 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C38 | C37 | N06 | 106.9° | 109.5° |
| C37 | C38 | C02 | 113.3° | 109.3° |
| C38 | C37 | H35 | 110.1° | 109.4° |
| C38 | C37 | H36 | 110.1° | 109.4° |
| C37 | C38 | H37 | 108.5° | 109.5° |
| C37 | C38 | H38 | 108.5° | 109.5° |
| C37 | N06 | C07 | 114.0° | 111.0° |
| C37 | N06 | C05 | 102.7° | 111.2° |
| N06 | C37 | H35 | 110.1° | 109.5° |
| N06 | C37 | H36 | 110.1° | 109.5° |
| N06 | C07 | C08 | 110.5° | 109.4° |
| C07 | N06 | C05 | 109.6° | 111.0° |
| N06 | C07 | H21 | 109.2° | 109.4° |
| N06 | C07 | H22 | 109.2° | 109.5° |
| C07 | C08 | N11 | 121.2° | 119.6° |
| C07 | C08 | C09 | 119.3° | 119.5° |
| C08 | C07 | H21 | 109.2° | 109.5° |
| C08 | C07 | H22 | 109.2° | 109.5° |
| C38 | C02 | C03 | 109.4° | 109.6° |
| C38 | C02 | C04 | 109.5° | 109.2° |
| C38 | C02 | C01 | 110.0° | 109.5° |
| C02 | C38 | H37 | 108.5° | 109.5° |
| C02 | C38 | H38 | 108.5° | 109.5° |
| C30 | C31 | C32 | 119.8° | 120.0° |
| C31 | C30 | C29 | 122.4° | 120.0° |
| C31 | C30 | H29 | 118.8° | 120.0° |
| C30 | C31 | H30 | 120.1° | 120.0° |
| C31 | C32 | C33 | 119.2° | 120.0° |
| C32 | C31 | H30 | 120.1° | 120.0° |
| C31 | C32 | H31 | 120.4° | 120.0° |
| N06 | C05 | C04 | 110.8° | 109.6° |
| N06 | C05 | H19 | 109.1° | 109.5° |
| N06 | C05 | H20 | 109.1° | 109.4° |
| C30 | C29 | C28 | 121.7° | 120.0° |
| C30 | C29 | C34 | 116.2° | 120.0° |
| C29 | C30 | H29 | 118.8° | 120.0° |
| C08 | N11 | C12 | 119.8° | 121.8° |
| N11 | C08 | C09 | 119.4° | 120.9° |
| N11 | C12 | C13 | 123.6° | 120.7° |
| N11 | C12 | H24 | 118.2° | 119.7° |
| C08 | C09 | C10 | 119.7° | 119.2° |
| C08 | C09 | H23 | 120.2° | 120.3° |
| C03 | C02 | C04 | 108.9° | 109.5° |
| C03 | C02 | C01 | 109.7° | 109.5° |
| C02 | C03 | H14 | 109.5° | 109.5° |
| C02 | C03 | H15 | 109.5° | 109.5° |
| C02 | C03 | H16 | 109.5° | 109.5° |
| C05 | C04 | C02 | 114.7° | 109.3° |
| C05 | C04 | H17 | 108.2° | 109.5° |
| C05 | C04 | H18 | 108.2° | 109.5° |
| C04 | C05 | H19 | 109.2° | 109.4° |
| C04 | C05 | H20 | 109.2° | 109.5° |
| C32 | C33 | C34 | 120.2° | 120.0° |
| C33 | C32 | H31 | 120.4° | 120.0° |
| C32 | C33 | H32 | 119.9° | 120.0° |
| C12 | C13 | C10 | 115.3° | 119.0° |
| C12 | C13 | N14 | 121.3° | 120.4° |
| C13 | C12 | H24 | 118.2° | 119.7° |
| C04 | C02 | C01 | 109.3° | 109.5° |
| C02 | C04 | H17 | 108.1° | 109.5° |
| C02 | C04 | H18 | 108.2° | 109.5° |
| C02 | C01 | H11 | 109.5° | 109.5° |
| C02 | C01 | H12 | 109.5° | 109.5° |
| C02 | C01 | H13 | 109.5° | 109.4° |
| C09 | C10 | C13 | 122.2° | 118.4° |
| C09 | C10 | H1 | 118.9° | 120.8° |
| C10 | C09 | H23 | 120.1° | 120.4° |
| C28 | C29 | C34 | 122.1° | 120.0° |
| C29 | C28 | N27 | 118.4° | 109.5° |
| C29 | C28 | H9 | 107.2° | 109.5° |
| C29 | C28 | H10 | 107.2° | 109.5° |
| C29 | C34 | C33 | 122.2° | 120.0° |
| C29 | C34 | H33 | 118.9° | 120.0° |
| C28 | N27 | C26 | 127.5° | 120.0° |
| N27 | C28 | H9 | 107.2° | 109.5° |
| N27 | C28 | H10 | 107.2° | 109.5° |
| C28 | N27 | H41 | 104.8° | 120.0° |
| C10 | C13 | N14 | 123.4° | 120.5° |
| C13 | C10 | H1 | 118.9° | 120.8° |
| C13 | N14 | C15 | 123.6° | 120.0° |
| C13 | N14 | H40 | 105.9° | 119.9° |
| C34 | C33 | H32 | 119.9° | 120.0° |
| C33 | C34 | H33 | 118.9° | 120.0° |
| N27 | C26 | C35 | 121.5° | 120.4° |
| N27 | C26 | N25 | 119.7° | 120.5° |
| C26 | N27 | H41 | 104.8° | 119.9° |
| N14 | C15 | C16 | 113.1° | 109.5° |
| N14 | C15 | H2 | 108.6° | 109.5° |
| N14 | C15 | H3 | 108.6° | 109.5° |
| C15 | N14 | H40 | 105.8° | 120.0° |
| C20 | C19 | C16 | 114.0° | 109.3° |
| C19 | C20 | N21 | 114.2° | 109.5° |
| C19 | C20 | H6 | 108.3° | 109.5° |
| C19 | C20 | H7 | 108.3° | 109.5° |
| C20 | C19 | H27 | 108.3° | 109.5° |
| C20 | C19 | H28 | 108.3° | 109.4° |
| C19 | C16 | C15 | 113.2° | 109.5° |
| C19 | C16 | O36 | 106.0° | 109.6° |
| C19 | C16 | C17 | 106.3° | 109.1° |
| C16 | C19 | H27 | 108.3° | 109.5° |
| C16 | C19 | H28 | 108.3° | 109.5° |
| C20 | N21 | C22 | 123.5° | 111.0° |
| C20 | N21 | C18 | 115.9° | 111.2° |
| N21 | C20 | H6 | 108.3° | 109.4° |
| N21 | C20 | H7 | 108.3° | 109.4° |
| C26 | C35 | C22 | 118.8° | 118.2° |
| C35 | C26 | N25 | 118.8° | 119.0° |
| C26 | C35 | H34 | 120.6° | 120.9° |
| C35 | C22 | N21 | 122.2° | 120.5° |
| C35 | C22 | N23 | 120.3° | 119.0° |
| C22 | C35 | H34 | 120.6° | 120.9° |
| C26 | N25 | C24 | 117.6° | 120.9° |
| C15 | C16 | O36 | 109.0° | 109.5° |
| C15 | C16 | C17 | 113.1° | 109.6° |
| C16 | C15 | H2 | 108.5° | 109.4° |
| C16 | C15 | H3 | 108.5° | 109.4° |
| O36 | C16 | C17 | 108.9° | 109.5° |
| C16 | O36 | H42 | 109.5° | 114.0° |
| C16 | C17 | C18 | 112.7° | 109.3° |
| C16 | C17 | H4 | 108.7° | 109.6° |
| C16 | C17 | H5 | 108.7° | 109.5° |
| C22 | N21 | C18 | 120.1° | 111.0° |
| N21 | C22 | N23 | 117.5° | 120.5° |
| N21 | C18 | C17 | 118.6° | 109.5° |
| N21 | C18 | H25 | 107.2° | 109.5° |
| N21 | C18 | H26 | 107.2° | 109.4° |
| C22 | N23 | C24 | 116.6° | 120.9° |
| N25 | C24 | N23 | 127.9° | 121.9° |
| N25 | C24 | H8 | 116.1° | 119.0° |
| C18 | C17 | H4 | 108.7° | 109.5° |
| C18 | C17 | H5 | 108.7° | 109.4° |
| C17 | C18 | H25 | 107.2° | 109.5° |
| C17 | C18 | H26 | 107.1° | 109.5° |
| N23 | C24 | H8 | 116.0° | 119.1° |
| H2 | C15 | H3 | 109.5° | 109.5° |
| H4 | C17 | H5 | 109.4° | 109.5° |
| H6 | C20 | H7 | 109.5° | 109.5° |
| H9 | C28 | H10 | 109.5° | 109.4° |
| H11 | C01 | H12 | 109.5° | 109.5° |
| H11 | C01 | H13 | 109.5° | 109.5° |
| H12 | C01 | H13 | 109.5° | 109.4° |
| H14 | C03 | H15 | 109.5° | 109.5° |
| H14 | C03 | H16 | 109.5° | 109.5° |
| H15 | C03 | H16 | 109.5° | 109.4° |
| H17 | C04 | H18 | 109.5° | 109.5° |
| H19 | C05 | H20 | 109.4° | 109.4° |
| H21 | C07 | H22 | 109.5° | 109.6° |
| H25 | C18 | H26 | 109.5° | 109.5° |
| H27 | C19 | H28 | 109.4° | 109.6° |
| H35 | C37 | H36 | 109.5° | 109.5° |
| H37 | C38 | H38 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C38 | C37 | N06 | H35 | 119.6° | 120.0° |
| C38 | C37 | N06 | H36 | 119.6° | 120.0° |
| C38 | C37 | N06 | C07 | 169.1° | 174.2° |
| C37 | C38 | C02 | H37 | 120.6° | 119.9° |
| C37 | C38 | C02 | H38 | 120.6° | 119.9° |
| C38 | C37 | N06 | C05 | 72.4° | 61.8° |
| C37 | C38 | C02 | C03 | 77.0° | 62.3° |
| C37 | C38 | C02 | C04 | 42.3° | 57.6° |
| C37 | C38 | C02 | C01 | 162.5° | 177.6° |
| C38 | C37 | H35 | H36 | 121.2° | 119.9° |
| C37 | C38 | H37 | H38 | 118.2° | 120.1° |
| C37 | N06 | C07 | C05 | 114.4° | 124.2° |
| C37 | N06 | C07 | C08 | 154.8° | 170.0° |
| N06 | C37 | C38 | C02 | 60.7° | 59.2° |
| C37 | N06 | C05 | C04 | 71.0° | 61.8° |
| C37 | N06 | C05 | H19 | 168.8° | 58.3° |
| C37 | N06 | C05 | H20 | 49.2° | 178.2° |
| C37 | N06 | C07 | H21 | 85.1° | 70.0° |
| C37 | N06 | C07 | H22 | 34.6° | 50.1° |
| N06 | C37 | H35 | H36 | 121.2° | 120.0° |
| N06 | C37 | C38 | H37 | 178.7° | 60.7° |
| N06 | C37 | C38 | H38 | 59.8° | 179.1° |
| N06 | C07 | C08 | H21 | 120.2° | 119.9° |
| N06 | C07 | C08 | H22 | 120.2° | 120.0° |
| N06 | C07 | C08 | N11 | 106.8° | 85.0° |
| N06 | C07 | C08 | C09 | 72.9° | 95.0° |
| C07 | N06 | C05 | C04 | 167.5° | 174.2° |
| C07 | N06 | C05 | H19 | 47.2° | 65.8° |
| C07 | N06 | C05 | H20 | 72.3° | 54.2° |
| N06 | C07 | H21 | H22 | 119.5° | 120.0° |
| C07 | N06 | C37 | H35 | 49.6° | 54.2° |
| C07 | N06 | C37 | H36 | 71.3° | 65.8° |
| C08 | C07 | N06 | C05 | 40.3° | 65.8° |
| C07 | C08 | N11 | C09 | 179.7° | 180.0° |
| C07 | C08 | N11 | C12 | 179.8° | 179.6° |
| C07 | C08 | C09 | C10 | 179.2° | 180.0° |
| C08 | C07 | H21 | H22 | 119.5° | 120.0° |
| C07 | C08 | C09 | H23 | 0.9° | 0.1° |
| C38 | C02 | C03 | C04 | 119.7° | 119.7° |
| C38 | C02 | C03 | C01 | 120.8° | 120.1° |
| C38 | C02 | C04 | C05 | 39.1° | 57.6° |
| C38 | C02 | C04 | C01 | 120.6° | 119.9° |
| C38 | C02 | C01 | H11 | 180.0° | 179.7° |
| C38 | C02 | C01 | H12 | 60.0° | 60.3° |
| C38 | C02 | C01 | H13 | 60.0° | 59.7° |
| C38 | C02 | C03 | H14 | 180.0° | 59.7° |
| C38 | C02 | C03 | H15 | 60.0° | 60.3° |
| C38 | C02 | C03 | H16 | 60.0° | 179.7° |
| C38 | C02 | C04 | H17 | 81.7° | 177.6° |
| C38 | C02 | C04 | H18 | 159.9° | 62.3° |
| C02 | C38 | C37 | H35 | 179.7° | 179.2° |
| C02 | C38 | C37 | H36 | 58.9° | 60.9° |
| C02 | C38 | H37 | H38 | 118.2° | 120.2° |
| C30 | C31 | C32 | H30 | 180.0° | 180.0° |
| C31 | C30 | C29 | H29 | 180.0° | 180.0° |
| C30 | C31 | C32 | C33 | 0.1° | 0.0° |
| C31 | C30 | C29 | C28 | 180.0° | 180.0° |
| C31 | C30 | C29 | C34 | 0.0° | 0.3° |
| C30 | C31 | C32 | H31 | 179.9° | 179.9° |
| C32 | C31 | C30 | C29 | 0.1° | 0.0° |
| C31 | C32 | C33 | H31 | 180.0° | 179.9° |
| C31 | C32 | C33 | C34 | 0.0° | 0.3° |
| C32 | C31 | C30 | H29 | 179.9° | 180.0° |
| C31 | C32 | C33 | H32 | 180.0° | 180.0° |
| N06 | C05 | C04 | H19 | 120.2° | 120.1° |
| N06 | C05 | C04 | H20 | 120.2° | 120.0° |
| N06 | C05 | C04 | C02 | 56.5° | 59.2° |
| N06 | C05 | C04 | H17 | 64.2° | 179.2° |
| N06 | C05 | C04 | H18 | 177.3° | 60.8° |
| N06 | C05 | H19 | H20 | 119.3° | 119.9° |
| C05 | N06 | C07 | H21 | 160.5° | 54.1° |
| C05 | N06 | C07 | H22 | 79.8° | 174.2° |
| C05 | N06 | C37 | H35 | 168.0° | 178.3° |
| C05 | N06 | C37 | H36 | 47.2° | 58.3° |
| C30 | C29 | C28 | C34 | 180.0° | 179.8° |
| C30 | C29 | C28 | N27 | 173.3° | 89.7° |
| C30 | C29 | C34 | C33 | 0.0° | 0.5° |
| C30 | C29 | C28 | H9 | 65.5° | 30.3° |
| C30 | C29 | C28 | H10 | 52.0° | 150.2° |
| C29 | C30 | C31 | H30 | 179.9° | 180.0° |
| C30 | C29 | C34 | H33 | 180.0° | 179.8° |
| C08 | N11 | C12 | C13 | 0.7° | 0.3° |
| N11 | C08 | C09 | C10 | 0.5° | 0.0° |
| N11 | C08 | C07 | H21 | 133.0° | 34.9° |
| N11 | C08 | C07 | H22 | 13.3° | 155.0° |
| N11 | C08 | C09 | H23 | 179.4° | 180.0° |
| C08 | N11 | C12 | H24 | 179.4° | 179.6° |
| C12 | N11 | C08 | C09 | 0.1° | 0.3° |
| N11 | C12 | C13 | H24 | 180.0° | 179.9° |
| N11 | C12 | C13 | C10 | 0.6° | 0.0° |
| N11 | C12 | C13 | N14 | 179.7° | 179.9° |
| C08 | C09 | C10 | H23 | 180.0° | 180.0° |
| C08 | C09 | C10 | C13 | 0.6° | 0.3° |
| C08 | C09 | C10 | H1 | 179.4° | 180.0° |
| C09 | C08 | C07 | H21 | 47.3° | 145.0° |
| C09 | C08 | C07 | H22 | 167.0° | 24.9° |
| C03 | C02 | C04 | C05 | 80.5° | 62.3° |
| C03 | C02 | C04 | C01 | 119.8° | 120.1° |
| C03 | C02 | C01 | H11 | 59.5° | 60.2° |
| C03 | C02 | C01 | H12 | 60.5° | 59.9° |
| C03 | C02 | C01 | H13 | 179.5° | 179.8° |
| C02 | C03 | H14 | H15 | 120.0° | 120.0° |
| C02 | C03 | H14 | H16 | 120.0° | 120.0° |
| C02 | C03 | H15 | H16 | 120.0° | 120.0° |
| C03 | C02 | C04 | H17 | 158.7° | 57.7° |
| C03 | C02 | C04 | H18 | 40.3° | 177.7° |
| C03 | C02 | C38 | H37 | 43.6° | 177.8° |
| C03 | C02 | C38 | H38 | 162.5° | 57.6° |
| C05 | C04 | C02 | H17 | 120.8° | 120.0° |
| C05 | C04 | C02 | H18 | 120.8° | 120.0° |
| C05 | C04 | C02 | C01 | 159.7° | 177.6° |
| C05 | C04 | H17 | H18 | 117.6° | 120.1° |
| C04 | C05 | H19 | H20 | 119.4° | 119.9° |
| C32 | C33 | C34 | C29 | 0.1° | 0.5° |
| C32 | C33 | C34 | H32 | 180.0° | 179.8° |
| C33 | C32 | C31 | H30 | 179.9° | 180.0° |
| C32 | C33 | C34 | H33 | 179.9° | 179.8° |
| C12 | C13 | C10 | C09 | 0.1° | 0.3° |
| C12 | C13 | C10 | N14 | 179.8° | 179.9° |
| C12 | C13 | N14 | C15 | 161.2° | 0.1° |
| C12 | C13 | C10 | H1 | 179.9° | 180.0° |
| C12 | C13 | N14 | H40 | 76.9° | 179.9° |
| C04 | C02 | C01 | H11 | 59.7° | 59.9° |
| C04 | C02 | C01 | H12 | 179.7° | 180.0° |
| C04 | C02 | C01 | H13 | 60.3° | 60.0° |
| C04 | C02 | C03 | H14 | 60.3° | 60.0° |
| C04 | C02 | C03 | H15 | 59.7° | 180.0° |
| C04 | C02 | C03 | H16 | 179.7° | 60.0° |
| C02 | C04 | H17 | H18 | 117.6° | 120.1° |
| C02 | C04 | C05 | H19 | 176.7° | 60.9° |
| C02 | C04 | C05 | H20 | 63.7° | 179.2° |
| C04 | C02 | C38 | H37 | 162.9° | 62.3° |
| C04 | C02 | C38 | H38 | 78.3° | 177.5° |
| C02 | C01 | H11 | H12 | 120.0° | 120.0° |
| C02 | C01 | H11 | H13 | 120.0° | 120.0° |
| C02 | C01 | H12 | H13 | 120.0° | 119.9° |
| C01 | C02 | C03 | H14 | 59.2° | 179.9° |
| C01 | C02 | C03 | H15 | 179.2° | 59.9° |
| C01 | C02 | C03 | H16 | 60.8° | 60.1° |
| C01 | C02 | C04 | H17 | 39.0° | 62.5° |
| C01 | C02 | C04 | H18 | 79.5° | 57.6° |
| C01 | C02 | C38 | H37 | 77.0° | 57.7° |
| C01 | C02 | C38 | H38 | 41.9° | 62.5° |
| C09 | C10 | C13 | H1 | 180.0° | 179.7° |
| C09 | C10 | C13 | N14 | 179.7° | 179.8° |
| C29 | C28 | N27 | H9 | 121.3° | 120.0° |
| C29 | C28 | N27 | H10 | 121.3° | 120.0° |
| C28 | C29 | C34 | C33 | 180.0° | 179.7° |
| C29 | C28 | N27 | C26 | 80.8° | 180.0° |
| C29 | C28 | H9 | H10 | 116.0° | 120.0° |
| C28 | C29 | C30 | H29 | 0.0° | 0.0° |
| C28 | C29 | C34 | H33 | 0.1° | 0.0° |
| C29 | C28 | N27 | H41 | 156.8° | 0.1° |
| C34 | C29 | C28 | N27 | 6.7° | 90.0° |
| C29 | C34 | C33 | H33 | 180.0° | 179.7° |
| C34 | C29 | C28 | H9 | 114.5° | 150.0° |
| C34 | C29 | C28 | H10 | 128.0° | 30.0° |
| C34 | C29 | C30 | H29 | 180.0° | 179.7° |
| C29 | C34 | C33 | H32 | 179.9° | 179.7° |
| C28 | N27 | C26 | H41 | 122.4° | 180.0° |
| C28 | N27 | C26 | C35 | 9.5° | 0.0° |
| C28 | N27 | C26 | N25 | 170.2° | 180.0° |
| N27 | C28 | H9 | H10 | 115.9° | 120.0° |
| C10 | C13 | N14 | C15 | 19.0° | 180.0° |
| C13 | C10 | C09 | H23 | 179.4° | 179.7° |
| C10 | C13 | C12 | H24 | 179.5° | 180.0° |
| C10 | C13 | N14 | H40 | 102.9° | 0.0° |
| C13 | N14 | C15 | H40 | 122.0° | 180.0° |
| C13 | N14 | C15 | C16 | 122.6° | 180.0° |
| N14 | C13 | C10 | H1 | 0.3° | 0.1° |
| C13 | N14 | C15 | H2 | 116.9° | 60.1° |
| C13 | N14 | C15 | H3 | 2.1° | 60.0° |
| N14 | C13 | C12 | H24 | 0.3° | 0.1° |
| C34 | C33 | C32 | H31 | 180.0° | 179.8° |
| N27 | C26 | C35 | N25 | 179.7° | 180.0° |
| N27 | C26 | C35 | C22 | 179.9° | 180.0° |
| N27 | C26 | N25 | C24 | 179.6° | 180.0° |
| C26 | N27 | C28 | H9 | 40.5° | 60.0° |
| C26 | N27 | C28 | H10 | 157.9° | 60.0° |
| N27 | C26 | C35 | H34 | 0.1° | 0.0° |
| N14 | C15 | C16 | C19 | 54.4° | 55.3° |
| N14 | C15 | C16 | H2 | 120.5° | 120.0° |
| N14 | C15 | C16 | H3 | 120.6° | 120.0° |
| N14 | C15 | C16 | O36 | 63.3° | 64.9° |
| N14 | C15 | C16 | C17 | 175.5° | 175.0° |
| N14 | C15 | H2 | H3 | 118.4° | 120.1° |
| C20 | C19 | C16 | H27 | 120.7° | 119.9° |
| C20 | C19 | C16 | H28 | 120.7° | 119.9° |
| C19 | C20 | N21 | H6 | 120.7° | 120.0° |
| C19 | C20 | N21 | H7 | 120.7° | 120.1° |
| C20 | C19 | C16 | C15 | 174.8° | 62.2° |
| C20 | C19 | C16 | O36 | 55.3° | 177.6° |
| C20 | C19 | C16 | C17 | 60.4° | 57.7° |
| C19 | C20 | N21 | C22 | 137.6° | 174.2° |
| C19 | C20 | N21 | C18 | 34.0° | 61.7° |
| C19 | C20 | H6 | H7 | 117.9° | 120.1° |
| C20 | C19 | H27 | H28 | 117.9° | 120.0° |
| C16 | C19 | C20 | N21 | 51.5° | 59.2° |
| C19 | C16 | C15 | O36 | 117.7° | 120.2° |
| C19 | C16 | C15 | C17 | 121.0° | 119.7° |
| C19 | C16 | O36 | C17 | 114.0° | 119.6° |
| C19 | C16 | C17 | C18 | 54.6° | 57.7° |
| C19 | C16 | C15 | H2 | 174.9° | 64.7° |
| C19 | C16 | C15 | H3 | 66.1° | 175.3° |
| C19 | C16 | C17 | H4 | 175.1° | 62.3° |
| C19 | C16 | C17 | H5 | 65.9° | 177.6° |
| C16 | C19 | C20 | H6 | 172.2° | 60.7° |
| C16 | C19 | C20 | H7 | 69.2° | 179.2° |
| C16 | C19 | H27 | H28 | 117.9° | 120.2° |
| C19 | C16 | O36 | H42 | 180.0° | 60.1° |
| C20 | N21 | C22 | C35 | 15.5° | 179.7° |
| C20 | N21 | C22 | C18 | 171.3° | 124.3° |
| C20 | N21 | C22 | N23 | 165.1° | 0.0° |
| C20 | N21 | C18 | C17 | 31.0° | 61.7° |
| N21 | C20 | H6 | H7 | 117.8° | 119.9° |
| C20 | N21 | C18 | H25 | 152.3° | 178.3° |
| C20 | N21 | C18 | H26 | 90.3° | 58.3° |
| N21 | C20 | C19 | H27 | 172.2° | 60.8° |
| N21 | C20 | C19 | H28 | 69.2° | 179.1° |
| C26 | C35 | C22 | H34 | 180.0° | 180.0° |
| C26 | C35 | C22 | N21 | 179.9° | 179.7° |
| C26 | C35 | C22 | N23 | 0.5° | 0.0° |
| C35 | C26 | N25 | C24 | 0.1° | 0.0° |
| C35 | C26 | N27 | H41 | 112.9° | 180.0° |
| C22 | C35 | C26 | N25 | 0.2° | 0.0° |
| C35 | C22 | N21 | N23 | 179.4° | 179.7° |
| C35 | C22 | N21 | C18 | 173.2° | 56.0° |
| C35 | C22 | N23 | C24 | 0.5° | 0.0° |
| C26 | N25 | C24 | N23 | 0.2° | 0.0° |
| C26 | N25 | C24 | H8 | 179.8° | 180.0° |
| N25 | C26 | C35 | H34 | 179.8° | 180.0° |
| N25 | C26 | N27 | H41 | 67.4° | 0.0° |
| C15 | C16 | O36 | C17 | 123.8° | 120.2° |
| C15 | C16 | C17 | C18 | 179.4° | 62.2° |
| C16 | C15 | H2 | H3 | 118.3° | 120.0° |
| C15 | C16 | C17 | H4 | 60.1° | 177.8° |
| C15 | C16 | C17 | H5 | 58.9° | 57.7° |
| C15 | C16 | C19 | H27 | 54.1° | 177.8° |
| C15 | C16 | C19 | H28 | 64.5° | 57.7° |
| C16 | C15 | N14 | H40 | 0.6° | 0.0° |
| C15 | C16 | O36 | H42 | 57.9° | 60.0° |
| O36 | C16 | C17 | C18 | 59.2° | 177.6° |
| O36 | C16 | C15 | H2 | 57.2° | 175.1° |
| O36 | C16 | C15 | H3 | 176.2° | 55.1° |
| O36 | C16 | C17 | H4 | 61.3° | 57.7° |
| O36 | C16 | C17 | H5 | 179.7° | 62.5° |
| O36 | C16 | C19 | H27 | 65.4° | 57.6° |
| O36 | C16 | C19 | H28 | 176.0° | 62.5° |
| C16 | C17 | C18 | N21 | 42.4° | 59.2° |
| C16 | C17 | C18 | H4 | 120.5° | 120.0° |
| C16 | C17 | C18 | H5 | 120.5° | 119.9° |
| C17 | C16 | C15 | H2 | 64.0° | 55.0° |
| C17 | C16 | C15 | H3 | 54.9° | 65.0° |
| C16 | C17 | H4 | H5 | 118.5° | 120.1° |
| C16 | C17 | C18 | H25 | 163.7° | 179.2° |
| C16 | C17 | C18 | H26 | 78.9° | 60.8° |
| C17 | C16 | C19 | H27 | 178.9° | 62.2° |
| C17 | C16 | C19 | H28 | 60.3° | 177.6° |
| C17 | C16 | O36 | H42 | 66.0° | 179.8° |
| C22 | N21 | C18 | C17 | 141.0° | 174.1° |
| N21 | C22 | N23 | C24 | 179.9° | 179.7° |
| C22 | N21 | C20 | H6 | 16.9° | 65.8° |
| C22 | N21 | C20 | H7 | 101.7° | 54.1° |
| C22 | N21 | C18 | H25 | 19.7° | 54.1° |
| C22 | N21 | C18 | H26 | 97.7° | 65.9° |
| N21 | C22 | C35 | H34 | 0.1° | 0.3° |
| C18 | N21 | C22 | N23 | 6.2° | 124.2° |
| N21 | C18 | C17 | H25 | 121.3° | 120.0° |
| N21 | C18 | C17 | H26 | 121.3° | 120.0° |
| N21 | C18 | C17 | H4 | 162.9° | 60.8° |
| N21 | C18 | C17 | H5 | 78.1° | 179.1° |
| C18 | N21 | C20 | H6 | 154.7° | 58.3° |
| C18 | N21 | C20 | H7 | 86.7° | 178.2° |
| N21 | C18 | H25 | H26 | 115.9° | 120.0° |
| C22 | N23 | C24 | N25 | 0.1° | 0.0° |
| C22 | N23 | C24 | H8 | 179.9° | 180.0° |
| N23 | C22 | C35 | H34 | 179.5° | 180.0° |
| N25 | C24 | N23 | H8 | 180.0° | 180.0° |
| C18 | C17 | H4 | H5 | 118.5° | 120.0° |
| C17 | C18 | H25 | H26 | 115.9° | 120.0° |
| H1 | C10 | C09 | H23 | 0.6° | 0.0° |
| H2 | C15 | N14 | H40 | 121.1° | 119.9° |
| H3 | C15 | N14 | H40 | 119.9° | 120.0° |
| H4 | C17 | C18 | H25 | 75.8° | 59.2° |
| H4 | C17 | C18 | H26 | 41.6° | 179.2° |
| H5 | C17 | C18 | H25 | 43.2° | 60.9° |
| H5 | C17 | C18 | H26 | 160.6° | 59.2° |
| H6 | C20 | C19 | H27 | 67.1° | 179.3° |
| H6 | C20 | C19 | H28 | 51.5° | 59.2° |
| H7 | C20 | C19 | H27 | 51.5° | 59.3° |
| H7 | C20 | C19 | H28 | 170.1° | 60.8° |
| H9 | C28 | N27 | H41 | 81.9° | 120.1° |
| H10 | C28 | N27 | H41 | 35.5° | 120.0° |
| H11 | C01 | H12 | H13 | 120.0° | 120.0° |
| H14 | C03 | H15 | H16 | 120.0° | 120.0° |
| H17 | C04 | C05 | H19 | 56.0° | 59.1° |
| H17 | C04 | C05 | H20 | 175.6° | 60.8° |
| H18 | C04 | C05 | H19 | 62.5° | 179.2° |
| H18 | C04 | C05 | H20 | 57.1° | 59.2° |
| H29 | C30 | C31 | H30 | 0.1° | 0.0° |
| H30 | C31 | C32 | H31 | 0.1° | 0.1° |
| H31 | C32 | C33 | H32 | 0.0° | 0.0° |
| H32 | C33 | C34 | H33 | 0.1° | 0.0° |
| H35 | C37 | C38 | H37 | 59.1° | 59.3° |
| H35 | C37 | C38 | H38 | 59.7° | 60.9° |
| H36 | C37 | C38 | H37 | 61.7° | 179.2° |
| H36 | C37 | C38 | H38 | 179.4° | 59.1° |
