WU2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | C16 | sing | 1.53Å | 1.57Å | |
| C18 | C16 | sing | 1.53Å | 1.57Å | |
| C16 | C19 | sing | 1.53Å | 1.57Å | |
| C16 | C15 | sing | 1.51Å | 1.64Å | |
| C23 | C22 | sing | 1.51Å | 1.52Å | |
| C30 | O29 | sing | 1.43Å | 1.45Å | |
| O30 | C03 | sing | 1.43Å | 1.43Å | |
| O30 | C32 | sing | 1.36Å | 1.41Å | |
| C31 | C28 | doub | 1.38Å | 1.41Å | Aromatic |
| C31 | C32 | sing | 1.39Å | 1.42Å | Aromatic |
| O29 | C28 | sing | 1.36Å | 1.41Å | |
| O01 | C02 | doub | 1.22Å | 1.25Å | |
| C15 | C20 | doub | 1.38Å | 1.44Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.42Å | Aromatic |
| C28 | C27 | sing | 1.39Å | 1.44Å | Aromatic |
| C32 | C33 | doub | 1.39Å | 1.42Å | Aromatic |
| C20 | C04 | sing | 1.39Å | 1.45Å | Aromatic |
| C22 | N24 | sing | 1.35Å | 1.38Å | Aromatic |
| C22 | C21 | doub | 1.37Å | 1.42Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.45Å | Aromatic |
| C27 | C36 | doub | 1.39Å | 1.46Å | Aromatic |
| C27 | N24 | sing | 1.40Å | 1.42Å | |
| C33 | C36 | sing | 1.38Å | 1.43Å | Aromatic |
| C33 | C01 | sing | 1.51Å | 1.54Å | |
| C02 | C21 | sing | 1.47Å | 1.54Å | |
| C02 | N03 | sing | 1.35Å | 1.48Å | |
| N24 | N25 | sing | 1.40Å | 1.36Å | Aromatic |
| C21 | N26 | sing | 1.34Å | 1.36Å | Aromatic |
| C04 | N03 | sing | 1.40Å | 1.51Å | |
| C04 | C05 | doub | 1.39Å | 1.46Å | Aromatic |
| C13 | C05 | sing | 1.39Å | 1.42Å | Aromatic |
| N25 | N26 | doub | 1.29Å | 1.38Å | Aromatic |
| C05 | O06 | sing | 1.36Å | 1.42Å | |
| O06 | C07 | sing | 1.43Å | 1.47Å | |
| C07 | C08 | sing | 1.53Å | 1.56Å | |
| C07 | C10 | sing | 1.53Å | 1.60Å | |
| C08 | C09 | sing | 1.53Å | 1.55Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C12 | C11 | sing | 1.53Å | 1.54Å | |
| C17 | H1 | sing | 1.09Å | 1.10Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C18 | H4 | sing | 1.09Å | 1.10Å | |
| C18 | H5 | sing | 1.09Å | 1.10Å | |
| C18 | H6 | sing | 1.09Å | 1.10Å | |
| C23 | H7 | sing | 1.09Å | 1.10Å | |
| C23 | H8 | sing | 1.09Å | 1.10Å | |
| C23 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.08Å | 1.08Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C13 | H15 | sing | 1.08Å | 1.08Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C10 | H21 | sing | 1.09Å | 1.10Å | |
| C10 | H22 | sing | 1.09Å | 1.10Å | |
| C01 | H23 | sing | 1.09Å | 1.10Å | |
| C01 | H24 | sing | 1.09Å | 1.10Å | |
| C01 | H25 | sing | 1.09Å | 1.10Å | |
| C03 | H26 | sing | 1.09Å | 1.10Å | |
| C03 | H27 | sing | 1.09Å | 1.10Å | |
| C03 | H28 | sing | 1.09Å | 1.10Å | |
| C07 | H29 | sing | 1.09Å | 1.10Å | |
| C08 | H30 | sing | 1.09Å | 1.10Å | |
| C08 | H31 | sing | 1.09Å | 1.10Å | |
| C09 | H32 | sing | 1.09Å | 1.10Å | |
| C09 | H33 | sing | 1.09Å | 1.10Å | |
| C09 | H34 | sing | 1.09Å | 1.10Å | |
| C30 | H35 | sing | 1.09Å | 1.10Å | |
| C30 | H36 | sing | 1.09Å | 1.10Å | |
| C30 | H37 | sing | 1.09Å | 1.10Å | |
| C31 | H38 | sing | 1.08Å | 1.08Å | |
| C36 | H39 | sing | 1.08Å | 1.08Å | |
| N03 | H40 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | C16 | C18 | 107.0° | 109.5° |
| C17 | C16 | C19 | 110.2° | 109.5° |
| C17 | C16 | C15 | 111.3° | 109.5° |
| C16 | C17 | H1 | 109.5° | 109.5° |
| C16 | C17 | H2 | 109.5° | 109.5° |
| C16 | C17 | H3 | 109.5° | 109.5° |
| C18 | C16 | C19 | 107.2° | 109.4° |
| C18 | C16 | C15 | 111.4° | 109.5° |
| C16 | C18 | H4 | 109.5° | 109.5° |
| C16 | C18 | H5 | 109.5° | 109.5° |
| C16 | C18 | H6 | 109.5° | 109.5° |
| C19 | C16 | C15 | 109.7° | 109.5° |
| C16 | C19 | H11 | 109.5° | 109.5° |
| C16 | C19 | H12 | 109.5° | 109.5° |
| C16 | C19 | H13 | 109.5° | 109.4° |
| C16 | C15 | C20 | 122.2° | 119.9° |
| C16 | C15 | C14 | 121.3° | 119.9° |
| C23 | C22 | N24 | 118.2° | 126.6° |
| C23 | C22 | C21 | 130.7° | 126.6° |
| C22 | C23 | H7 | 109.5° | 109.4° |
| C22 | C23 | H8 | 109.5° | 109.5° |
| C22 | C23 | H9 | 109.5° | 109.4° |
| C30 | O29 | C28 | 117.8° | 117.0° |
| O29 | C30 | H35 | 109.5° | 109.5° |
| O29 | C30 | H36 | 109.5° | 109.5° |
| O29 | C30 | H37 | 109.5° | 109.4° |
| C03 | O30 | C32 | 117.6° | 117.0° |
| O30 | C03 | H26 | 109.5° | 109.4° |
| O30 | C03 | H27 | 109.5° | 109.5° |
| O30 | C03 | H28 | 109.5° | 109.5° |
| O30 | C32 | C31 | 119.0° | 120.0° |
| O30 | C32 | C33 | 118.1° | 119.9° |
| C28 | C31 | C32 | 121.1° | 120.0° |
| C31 | C28 | O29 | 123.0° | 120.1° |
| C31 | C28 | C27 | 119.5° | 119.9° |
| C28 | C31 | H38 | 119.4° | 120.0° |
| C31 | C32 | C33 | 122.9° | 120.1° |
| C32 | C31 | H38 | 119.5° | 120.0° |
| O29 | C28 | C27 | 117.5° | 120.1° |
| O01 | C02 | C21 | 112.0° | 120.0° |
| O01 | C02 | N03 | 116.0° | 120.0° |
| C20 | C15 | C14 | 116.4° | 120.1° |
| C15 | C20 | C04 | 125.0° | 120.0° |
| C15 | C20 | H10 | 117.5° | 120.0° |
| C15 | C14 | C13 | 120.9° | 120.2° |
| C15 | C14 | H14 | 119.5° | 119.9° |
| C28 | C27 | C36 | 117.3° | 120.0° |
| C28 | C27 | N24 | 124.4° | 120.0° |
| C32 | C33 | C36 | 115.2° | 120.1° |
| C32 | C33 | C01 | 123.4° | 120.0° |
| C20 | C04 | N03 | 120.7° | 120.1° |
| C20 | C04 | C05 | 116.5° | 119.8° |
| C04 | C20 | H10 | 117.5° | 120.0° |
| N24 | C22 | C21 | 111.1° | 106.8° |
| C22 | N24 | C27 | 130.7° | 126.6° |
| C22 | N24 | N25 | 104.3° | 106.8° |
| C22 | C21 | C02 | 134.0° | 125.8° |
| C22 | C21 | N26 | 104.3° | 108.5° |
| C14 | C13 | C05 | 121.8° | 120.0° |
| C13 | C14 | H14 | 119.5° | 119.9° |
| C14 | C13 | H15 | 119.1° | 120.0° |
| C36 | C27 | N24 | 118.4° | 120.0° |
| C27 | C36 | C33 | 124.1° | 120.0° |
| C27 | C36 | H39 | 117.9° | 120.0° |
| C27 | N24 | N25 | 125.0° | 126.6° |
| C36 | C33 | C01 | 121.4° | 120.0° |
| C33 | C36 | H39 | 118.0° | 119.9° |
| C33 | C01 | H23 | 109.5° | 109.5° |
| C33 | C01 | H24 | 109.5° | 109.5° |
| C33 | C01 | H25 | 109.5° | 109.5° |
| C21 | C02 | N03 | 131.9° | 120.0° |
| C02 | C21 | N26 | 121.7° | 125.7° |
| C02 | N03 | C04 | 129.3° | 120.0° |
| C02 | N03 | H40 | 115.4° | 120.0° |
| N24 | N25 | N26 | 110.7° | 108.4° |
| C21 | N26 | N25 | 109.6° | 109.5° |
| N03 | C04 | C05 | 122.8° | 120.1° |
| C04 | N03 | H40 | 115.4° | 119.9° |
| C04 | C05 | C13 | 119.3° | 119.8° |
| C04 | C05 | O06 | 121.1° | 120.1° |
| C13 | C05 | O06 | 119.6° | 120.1° |
| C05 | C13 | H15 | 119.1° | 120.0° |
| C05 | O06 | C07 | 121.5° | 117.0° |
| O06 | C07 | C08 | 111.1° | 109.5° |
| O06 | C07 | C10 | 111.7° | 109.5° |
| O06 | C07 | H29 | 109.5° | 109.5° |
| C08 | C07 | C10 | 108.4° | 109.4° |
| C07 | C08 | C09 | 114.5° | 109.4° |
| C08 | C07 | H29 | 108.3° | 109.5° |
| C07 | C08 | H30 | 108.2° | 109.5° |
| C07 | C08 | H31 | 108.2° | 109.4° |
| C07 | C10 | C11 | 117.3° | 109.4° |
| C07 | C10 | H21 | 107.5° | 109.5° |
| C07 | C10 | H22 | 107.5° | 109.5° |
| C10 | C07 | H29 | 107.8° | 109.5° |
| C09 | C08 | H30 | 108.2° | 109.5° |
| C09 | C08 | H31 | 108.2° | 109.5° |
| C08 | C09 | H32 | 109.5° | 109.5° |
| C08 | C09 | H33 | 109.4° | 109.5° |
| C08 | C09 | H34 | 109.4° | 109.5° |
| C10 | C11 | C12 | 115.9° | 109.4° |
| C10 | C11 | H19 | 107.8° | 109.4° |
| C10 | C11 | H20 | 107.8° | 109.5° |
| C11 | C10 | H21 | 107.5° | 109.4° |
| C11 | C10 | H22 | 107.5° | 109.5° |
| C11 | C12 | H16 | 109.5° | 109.5° |
| C11 | C12 | H17 | 109.5° | 109.5° |
| C11 | C12 | H18 | 109.5° | 109.5° |
| C12 | C11 | H19 | 107.8° | 109.5° |
| C12 | C11 | H20 | 107.8° | 109.5° |
| H1 | C17 | H2 | 109.5° | 109.4° |
| H1 | C17 | H3 | 109.5° | 109.4° |
| H2 | C17 | H3 | 109.5° | 109.4° |
| H4 | C18 | H5 | 109.5° | 109.4° |
| H4 | C18 | H6 | 109.5° | 109.5° |
| H5 | C18 | H6 | 109.4° | 109.4° |
| H7 | C23 | H8 | 109.4° | 109.5° |
| H7 | C23 | H9 | 109.4° | 109.4° |
| H8 | C23 | H9 | 109.5° | 109.5° |
| H11 | C19 | H12 | 109.5° | 109.5° |
| H11 | C19 | H13 | 109.5° | 109.4° |
| H12 | C19 | H13 | 109.5° | 109.5° |
| H16 | C12 | H17 | 109.5° | 109.4° |
| H16 | C12 | H18 | 109.5° | 109.5° |
| H17 | C12 | H18 | 109.5° | 109.5° |
| H19 | C11 | H20 | 109.5° | 109.5° |
| H21 | C10 | H22 | 109.5° | 109.5° |
| H23 | C01 | H24 | 109.5° | 109.4° |
| H23 | C01 | H25 | 109.4° | 109.5° |
| H24 | C01 | H25 | 109.5° | 109.4° |
| H26 | C03 | H27 | 109.5° | 109.5° |
| H26 | C03 | H28 | 109.5° | 109.4° |
| H27 | C03 | H28 | 109.4° | 109.5° |
| H30 | C08 | H31 | 109.5° | 109.5° |
| H32 | C09 | H33 | 109.5° | 109.4° |
| H32 | C09 | H34 | 109.5° | 109.4° |
| H33 | C09 | H34 | 109.5° | 109.5° |
| H35 | C30 | H36 | 109.5° | 109.5° |
| H35 | C30 | H37 | 109.4° | 109.5° |
| H36 | C30 | H37 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | C16 | C18 | C19 | 118.2° | 120.0° |
| C17 | C16 | C18 | C15 | 121.8° | 120.0° |
| C17 | C16 | C19 | C15 | 122.8° | 120.0° |
| C17 | C16 | C15 | C20 | 83.4° | 60.0° |
| C17 | C16 | C15 | C14 | 96.6° | 120.0° |
| C16 | C17 | H1 | H2 | 120.0° | 120.0° |
| C16 | C17 | H1 | H3 | 120.0° | 120.0° |
| C16 | C17 | H2 | H3 | 120.0° | 120.1° |
| C17 | C16 | C18 | H4 | 180.0° | 180.0° |
| C17 | C16 | C18 | H5 | 60.0° | 60.0° |
| C17 | C16 | C18 | H6 | 60.0° | 59.9° |
| C17 | C16 | C19 | H11 | 180.0° | 180.0° |
| C17 | C16 | C19 | H12 | 60.0° | 60.0° |
| C17 | C16 | C19 | H13 | 60.0° | 60.0° |
| C18 | C16 | C19 | C15 | 121.1° | 120.0° |
| C18 | C16 | C15 | C20 | 35.9° | 179.9° |
| C18 | C16 | C15 | C14 | 144.1° | 0.0° |
| C18 | C16 | C17 | H1 | 180.0° | 60.0° |
| C18 | C16 | C17 | H2 | 60.0° | 60.0° |
| C18 | C16 | C17 | H3 | 60.0° | 180.0° |
| C16 | C18 | H4 | H5 | 120.0° | 120.0° |
| C16 | C18 | H4 | H6 | 120.0° | 120.1° |
| C16 | C18 | H5 | H6 | 120.0° | 120.0° |
| C18 | C16 | C19 | H11 | 63.9° | 60.0° |
| C18 | C16 | C19 | H12 | 176.1° | 60.0° |
| C18 | C16 | C19 | H13 | 56.1° | 180.0° |
| C19 | C16 | C15 | C20 | 154.4° | 60.0° |
| C19 | C16 | C15 | C14 | 25.5° | 120.0° |
| C19 | C16 | C17 | H1 | 63.8° | 60.0° |
| C19 | C16 | C17 | H2 | 176.2° | 180.0° |
| C19 | C16 | C17 | H3 | 56.2° | 60.0° |
| C19 | C16 | C18 | H4 | 61.8° | 60.0° |
| C19 | C16 | C18 | H5 | 58.2° | 180.0° |
| C19 | C16 | C18 | H6 | 178.2° | 60.0° |
| C16 | C19 | H11 | H12 | 120.0° | 120.0° |
| C16 | C19 | H11 | H13 | 120.0° | 119.9° |
| C16 | C19 | H12 | H13 | 120.0° | 120.0° |
| C16 | C15 | C20 | C14 | 179.9° | 180.0° |
| C16 | C15 | C20 | C04 | 179.8° | 180.0° |
| C16 | C15 | C14 | C13 | 179.9° | 179.5° |
| C15 | C16 | C17 | H1 | 58.1° | 180.0° |
| C15 | C16 | C17 | H2 | 61.9° | 60.0° |
| C15 | C16 | C17 | H3 | 178.1° | 60.0° |
| C15 | C16 | C18 | H4 | 58.2° | 59.9° |
| C15 | C16 | C18 | H5 | 178.2° | 60.0° |
| C15 | C16 | C18 | H6 | 61.8° | 180.0° |
| C16 | C15 | C20 | H10 | 0.2° | 0.2° |
| C15 | C16 | C19 | H11 | 57.2° | 60.0° |
| C15 | C16 | C19 | H12 | 62.8° | 180.0° |
| C15 | C16 | C19 | H13 | 177.2° | 60.0° |
| C16 | C15 | C14 | H14 | 0.1° | 0.3° |
| C23 | C22 | N24 | C21 | 179.6° | 179.8° |
| C23 | C22 | N24 | C27 | 0.1° | 0.0° |
| C23 | C22 | C21 | C02 | 1.0° | 0.0° |
| C23 | C22 | N24 | N25 | 179.9° | 180.0° |
| C23 | C22 | C21 | N26 | 180.0° | 180.0° |
| C22 | C23 | H7 | H8 | 120.0° | 120.0° |
| C22 | C23 | H7 | H9 | 120.0° | 119.9° |
| C22 | C23 | H8 | H9 | 120.0° | 120.0° |
| C30 | O29 | C28 | C31 | 26.4° | 0.1° |
| C30 | O29 | C28 | C27 | 153.9° | 180.0° |
| O29 | C30 | H35 | H36 | 120.0° | 120.0° |
| O29 | C30 | H35 | H37 | 120.0° | 120.0° |
| O29 | C30 | H36 | H37 | 120.0° | 119.9° |
| C03 | O30 | C32 | C31 | 40.5° | 0.0° |
| C03 | O30 | C32 | C33 | 139.5° | 180.0° |
| O30 | C03 | H26 | H27 | 120.0° | 120.1° |
| O30 | C03 | H26 | H28 | 120.0° | 120.0° |
| O30 | C03 | H27 | H28 | 120.0° | 120.0° |
| O30 | C32 | C31 | C28 | 180.0° | 180.0° |
| O30 | C32 | C31 | C33 | 179.9° | 180.0° |
| O30 | C32 | C33 | C36 | 179.9° | 180.0° |
| O30 | C32 | C33 | C01 | 0.0° | 0.0° |
| C32 | O30 | C03 | H26 | 180.0° | 180.0° |
| C32 | O30 | C03 | H27 | 60.0° | 60.0° |
| C32 | O30 | C03 | H28 | 60.0° | 60.0° |
| O30 | C32 | C31 | H38 | 0.1° | 0.0° |
| C28 | C31 | C32 | H38 | 180.0° | 180.0° |
| C31 | C28 | O29 | C27 | 179.7° | 179.9° |
| C28 | C31 | C32 | C33 | 0.0° | 0.0° |
| C31 | C28 | C27 | C36 | 0.5° | 0.1° |
| C31 | C28 | C27 | N24 | 179.7° | 179.8° |
| C32 | C31 | C28 | O29 | 180.0° | 180.0° |
| C32 | C31 | C28 | C27 | 0.3° | 0.1° |
| C31 | C32 | C33 | C36 | 0.0° | 0.0° |
| C31 | C32 | C33 | C01 | 179.9° | 180.0° |
| O29 | C28 | C27 | C36 | 179.8° | 179.9° |
| O29 | C28 | C27 | N24 | 0.6° | 0.4° |
| C28 | O29 | C30 | H35 | 180.0° | 180.0° |
| C28 | O29 | C30 | H36 | 60.0° | 60.0° |
| C28 | O29 | C30 | H37 | 60.0° | 60.0° |
| O29 | C28 | C31 | H38 | 0.0° | 0.1° |
| O01 | C02 | C21 | C22 | 9.2° | 0.0° |
| O01 | C02 | C21 | N03 | 179.7° | 180.0° |
| O01 | C02 | C21 | N26 | 171.9° | 180.0° |
| O01 | C02 | N03 | C04 | 0.4° | 5.2° |
| O01 | C02 | N03 | H40 | 179.6° | 174.8° |
| C15 | C20 | C04 | H10 | 180.0° | 179.8° |
| C20 | C15 | C14 | C13 | 0.0° | 0.5° |
| C15 | C20 | C04 | N03 | 179.8° | 179.8° |
| C15 | C20 | C04 | C05 | 0.3° | 0.2° |
| C20 | C15 | C14 | H14 | 180.0° | 179.8° |
| C14 | C15 | C20 | C04 | 0.2° | 0.0° |
| C15 | C14 | C13 | H14 | 180.0° | 179.2° |
| C15 | C14 | C13 | C05 | 0.1° | 0.8° |
| C14 | C15 | C20 | H10 | 179.8° | 179.7° |
| C15 | C14 | C13 | H15 | 179.8° | 179.1° |
| C28 | C27 | N24 | C22 | 65.2° | 131.5° |
| C28 | C27 | C36 | N24 | 179.2° | 179.7° |
| C28 | C27 | C36 | C33 | 0.5° | 0.0° |
| C28 | C27 | N24 | N25 | 114.8° | 48.5° |
| C27 | C28 | C31 | H38 | 179.7° | 180.0° |
| C28 | C27 | C36 | H39 | 179.5° | 179.7° |
| C32 | C33 | C36 | C27 | 0.2° | 0.0° |
| C32 | C33 | C36 | C01 | 179.9° | 179.9° |
| C32 | C33 | C01 | H23 | 89.9° | 90.0° |
| C32 | C33 | C01 | H24 | 150.0° | 150.0° |
| C32 | C33 | C01 | H25 | 30.0° | 30.0° |
| C33 | C32 | C31 | H38 | 180.0° | 180.0° |
| C32 | C33 | C36 | H39 | 179.8° | 179.7° |
| C20 | C04 | N03 | C02 | 26.7° | 19.0° |
| C20 | C04 | N03 | C05 | 179.4° | 180.0° |
| C20 | C04 | C05 | C13 | 0.2° | 0.0° |
| C20 | C04 | C05 | O06 | 179.5° | 179.4° |
| C20 | C04 | N03 | H40 | 153.3° | 160.9° |
| C22 | N24 | C27 | C36 | 115.6° | 48.8° |
| C22 | N24 | C27 | N25 | 180.0° | 180.0° |
| N24 | C22 | C21 | C02 | 179.5° | 179.7° |
| N24 | C22 | C21 | N26 | 0.4° | 0.2° |
| C22 | N24 | N25 | N26 | 0.0° | 0.1° |
| N24 | C22 | C23 | H7 | 90.2° | 88.9° |
| N24 | C22 | C23 | H8 | 149.8° | 151.1° |
| N24 | C22 | C23 | H9 | 29.8° | 31.1° |
| C21 | C22 | N24 | C27 | 179.8° | 179.8° |
| C22 | C21 | C02 | N26 | 179.0° | 179.9° |
| C22 | C21 | C02 | N03 | 170.6° | 180.0° |
| C21 | C22 | N24 | N25 | 0.2° | 0.2° |
| C22 | C21 | N26 | N25 | 0.4° | 0.1° |
| C21 | C22 | C23 | H7 | 90.3° | 90.9° |
| C21 | C22 | C23 | H8 | 29.7° | 29.1° |
| C21 | C22 | C23 | H9 | 149.7° | 149.2° |
| C14 | C13 | C05 | C04 | 0.1° | 0.5° |
| C14 | C13 | C05 | H15 | 180.0° | 179.9° |
| C14 | C13 | C05 | O06 | 179.7° | 179.9° |
| C27 | C36 | C33 | H39 | 180.0° | 179.7° |
| C27 | C36 | C33 | C01 | 179.7° | 180.0° |
| C36 | C27 | N24 | N25 | 64.4° | 131.2° |
| N24 | C27 | C36 | C33 | 179.7° | 179.7° |
| C27 | N24 | N25 | N26 | 180.0° | 179.9° |
| N24 | C27 | C36 | H39 | 0.3° | 0.0° |
| C36 | C33 | C01 | H23 | 90.0° | 90.0° |
| C36 | C33 | C01 | H24 | 30.0° | 30.0° |
| C36 | C33 | C01 | H25 | 150.0° | 149.9° |
| C33 | C01 | H23 | H24 | 120.0° | 120.0° |
| C33 | C01 | H23 | H25 | 120.0° | 120.0° |
| C33 | C01 | H24 | H25 | 120.0° | 120.0° |
| C01 | C33 | C36 | H39 | 0.3° | 0.3° |
| C21 | C02 | N03 | C04 | 179.3° | 174.8° |
| C02 | C21 | N26 | N25 | 179.6° | 179.8° |
| C21 | C02 | N03 | H40 | 0.7° | 5.1° |
| N03 | C02 | C21 | N26 | 8.4° | 0.1° |
| C02 | N03 | C04 | H40 | 180.0° | 180.0° |
| C02 | N03 | C04 | C05 | 153.9° | 161.0° |
| N24 | N25 | N26 | C21 | 0.2° | 0.0° |
| N03 | C04 | C05 | C13 | 179.6° | 180.0° |
| N03 | C04 | C05 | O06 | 0.1° | 0.6° |
| N03 | C04 | C20 | H10 | 0.2° | 0.0° |
| C04 | C05 | C13 | O06 | 179.7° | 179.4° |
| C04 | C05 | O06 | C07 | 56.3° | 174.4° |
| C05 | C04 | C20 | H10 | 179.7° | 180.0° |
| C04 | C05 | C13 | H15 | 179.9° | 179.4° |
| C05 | C04 | N03 | H40 | 26.1° | 19.1° |
| C13 | C05 | O06 | C07 | 124.0° | 5.0° |
| C05 | C13 | C14 | H14 | 179.9° | 180.0° |
| C05 | O06 | C07 | C08 | 105.1° | 99.5° |
| C05 | O06 | C07 | C10 | 133.8° | 140.6° |
| O06 | C05 | C13 | H15 | 0.2° | 0.0° |
| C05 | O06 | C07 | H29 | 14.5° | 20.6° |
| O06 | C07 | C08 | C10 | 123.0° | 120.0° |
| O06 | C07 | C08 | H29 | 120.3° | 120.0° |
| O06 | C07 | C10 | H29 | 120.3° | 120.0° |
| O06 | C07 | C08 | C09 | 147.3° | 65.0° |
| O06 | C07 | C10 | C11 | 31.9° | 65.0° |
| O06 | C07 | C10 | H21 | 89.2° | 54.9° |
| O06 | C07 | C10 | H22 | 153.0° | 175.0° |
| O06 | C07 | C08 | H30 | 92.0° | 55.0° |
| O06 | C07 | C08 | H31 | 26.6° | 175.0° |
| C08 | C07 | C10 | H29 | 117.0° | 120.0° |
| C07 | C08 | C09 | H30 | 120.7° | 120.0° |
| C07 | C08 | C09 | H31 | 120.7° | 119.9° |
| C08 | C07 | C10 | C11 | 90.8° | 175.0° |
| C08 | C07 | C10 | H21 | 148.1° | 65.0° |
| C08 | C07 | C10 | H22 | 30.3° | 55.0° |
| C07 | C08 | H30 | H31 | 117.7° | 120.0° |
| C07 | C08 | C09 | H32 | 180.0° | 60.0° |
| C07 | C08 | C09 | H33 | 60.0° | 60.0° |
| C07 | C08 | C09 | H34 | 60.0° | 180.0° |
| C10 | C07 | C08 | C09 | 24.3° | 175.0° |
| C07 | C10 | C11 | H21 | 121.1° | 120.0° |
| C07 | C10 | C11 | H22 | 121.1° | 120.0° |
| C07 | C10 | C11 | C12 | 85.7° | NaN° |
| C07 | C10 | C11 | H19 | 153.3° | 60.0° |
| C07 | C10 | C11 | H20 | 35.2° | 60.0° |
| C07 | C10 | H21 | H22 | 116.4° | 120.0° |
| C10 | C07 | C08 | H30 | 145.0° | 65.0° |
| C10 | C07 | C08 | H31 | 96.5° | 55.0° |
| C09 | C08 | C07 | H29 | 92.4° | 55.0° |
| C09 | C08 | H30 | H31 | 117.7° | 120.1° |
| C08 | C09 | H32 | H33 | 120.0° | 120.0° |
| C08 | C09 | H32 | H34 | 120.0° | 120.0° |
| C08 | C09 | H33 | H34 | 120.0° | 120.0° |
| C10 | C11 | C12 | H19 | 120.9° | 119.9° |
| C10 | C11 | C12 | H20 | 120.9° | 120.0° |
| C10 | C11 | C12 | H16 | 180.0° | 180.0° |
| C10 | C11 | C12 | H17 | 60.0° | 60.0° |
| C10 | C11 | C12 | H18 | 60.0° | 60.1° |
| C10 | C11 | H19 | H20 | 117.1° | 120.0° |
| C11 | C10 | H21 | H22 | 116.4° | 120.0° |
| C11 | C10 | C07 | H29 | 152.2° | 55.0° |
| C11 | C12 | H16 | H17 | 120.0° | 120.0° |
| C11 | C12 | H16 | H18 | 120.0° | 120.0° |
| C11 | C12 | H17 | H18 | 120.0° | 120.0° |
| C12 | C11 | H19 | H20 | 117.1° | 120.0° |
| C12 | C11 | C10 | H21 | 35.4° | 60.0° |
| C12 | C11 | C10 | H22 | 153.2° | 60.0° |
| H1 | C17 | H2 | H3 | 120.0° | 119.9° |
| H4 | C18 | H5 | H6 | 120.0° | 120.0° |
| H7 | C23 | H8 | H9 | 119.9° | 120.0° |
| H11 | C19 | H12 | H13 | 120.0° | 120.0° |
| H14 | C14 | C13 | H15 | 0.2° | 0.1° |
| H16 | C12 | H17 | H18 | 120.0° | 120.0° |
| H16 | C12 | C11 | H19 | 59.1° | 60.0° |
| H16 | C12 | C11 | H20 | 59.1° | 60.0° |
| H17 | C12 | C11 | H19 | 179.1° | 59.9° |
| H17 | C12 | C11 | H20 | 60.9° | 180.0° |
| H18 | C12 | C11 | H19 | 60.9° | NaN° |
| H18 | C12 | C11 | H20 | 179.1° | 60.0° |
| H19 | C11 | C10 | H21 | 85.5° | 180.0° |
| H19 | C11 | C10 | H22 | 32.2° | 60.0° |
| H20 | C11 | C10 | H21 | 156.3° | 60.0° |
| H20 | C11 | C10 | H22 | 85.9° | 180.0° |
| H21 | C10 | C07 | H29 | 31.1° | 175.0° |
| H22 | C10 | C07 | H29 | 86.7° | 65.0° |
| H23 | C01 | H24 | H25 | 119.9° | 120.0° |
| H26 | C03 | H27 | H28 | 120.0° | 119.9° |
| H29 | C07 | C08 | H30 | 28.4° | 175.0° |
| H29 | C07 | C08 | H31 | 146.9° | 65.0° |
| H30 | C08 | C09 | H32 | 59.3° | 180.0° |
| H30 | C08 | C09 | H33 | 179.3° | 60.0° |
| H30 | C08 | C09 | H34 | 60.7° | 60.0° |
| H31 | C08 | C09 | H32 | 59.3° | 59.9° |
| H31 | C08 | C09 | H33 | 60.7° | 179.9° |
| H31 | C08 | C09 | H34 | 179.3° | 60.0° |
| H32 | C09 | H33 | H34 | 120.0° | 119.9° |
| H35 | C30 | H36 | H37 | 120.0° | 120.0° |
