WSX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | C16 | sing | 1.53Å | 1.56Å | |
| C19 | C16 | sing | 1.53Å | 1.45Å | |
| C17 | C16 | sing | 1.53Å | 1.51Å | |
| C16 | C15 | sing | 1.51Å | 1.60Å | |
| C23 | C22 | sing | 1.51Å | 1.55Å | |
| C30 | O29 | sing | 1.43Å | 1.40Å | |
| C15 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | C04 | sing | 1.39Å | 1.41Å | Aromatic |
| O01 | C02 | doub | 1.22Å | 1.23Å | |
| O29 | C28 | sing | 1.36Å | 1.43Å | |
| C31 | C28 | doub | 1.39Å | 1.40Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.38Å | Aromatic |
| C28 | C27 | sing | 1.39Å | 1.40Å | Aromatic |
| C32 | C33 | doub | 1.39Å | 1.42Å | Aromatic |
| C22 | C21 | doub | 1.37Å | 1.39Å | Aromatic |
| C22 | N24 | sing | 1.35Å | 1.37Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.41Å | Aromatic |
| C02 | C21 | sing | 1.48Å | 1.55Å | |
| C02 | N03 | sing | 1.35Å | 1.48Å | |
| C27 | N24 | sing | 1.40Å | 1.49Å | |
| C27 | C36 | doub | 1.39Å | 1.40Å | Aromatic |
| C33 | C36 | sing | 1.39Å | 1.37Å | Aromatic |
| C33 | O34 | sing | 1.36Å | 1.44Å | |
| C04 | N03 | sing | 1.40Å | 1.55Å | |
| C04 | C05 | doub | 1.39Å | 1.39Å | Aromatic |
| C21 | N26 | sing | 1.34Å | 1.36Å | Aromatic |
| N24 | N25 | sing | 1.40Å | 1.36Å | Aromatic |
| O34 | C35 | sing | 1.43Å | 1.41Å | |
| C13 | C05 | sing | 1.39Å | 1.40Å | Aromatic |
| C05 | O06 | sing | 1.36Å | 1.47Å | |
| N26 | N25 | doub | 1.29Å | 1.37Å | Aromatic |
| O06 | C07 | sing | 1.43Å | 1.41Å | |
| C07 | C08 | sing | 1.53Å | 1.54Å | |
| C07 | C10 | sing | 1.53Å | 1.53Å | |
| C08 | C09 | sing | 1.53Å | 1.61Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C14 | H1 | sing | 1.08Å | 1.08Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.08Å | 1.08Å | |
| C31 | H5 | sing | 1.08Å | 1.08Å | |
| C32 | H6 | sing | 1.08Å | 1.08Å | |
| C36 | H7 | sing | 1.08Å | 1.08Å | |
| C07 | H8 | sing | 1.09Å | 1.10Å | |
| C08 | H9 | sing | 1.09Å | 1.10Å | |
| C08 | H10 | sing | 1.09Å | 1.10Å | |
| C09 | H11 | sing | 1.09Å | 1.10Å | |
| C09 | H12 | sing | 1.09Å | 1.10Å | |
| C09 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C20 | H28 | sing | 1.08Å | 1.08Å | |
| C23 | H29 | sing | 1.09Å | 1.10Å | |
| C23 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| C30 | H32 | sing | 1.09Å | 1.10Å | |
| C30 | H33 | sing | 1.09Å | 1.10Å | |
| C30 | H34 | sing | 1.09Å | 1.10Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C35 | H36 | sing | 1.09Å | 1.10Å | |
| C35 | H37 | sing | 1.09Å | 1.10Å | |
| N03 | H38 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | C16 | C19 | 109.7° | 109.5° |
| C18 | C16 | C17 | 109.3° | 109.5° |
| C18 | C16 | C15 | 109.2° | 109.5° |
| C16 | C18 | H22 | 109.5° | 109.4° |
| C16 | C18 | H23 | 109.5° | 109.5° |
| C16 | C18 | H24 | 109.5° | 109.5° |
| C19 | C16 | C17 | 109.8° | 109.4° |
| C19 | C16 | C15 | 109.7° | 109.4° |
| C16 | C19 | H25 | 109.5° | 109.5° |
| C16 | C19 | H26 | 109.5° | 109.4° |
| C16 | C19 | H27 | 109.5° | 109.4° |
| C17 | C16 | C15 | 109.1° | 109.5° |
| C16 | C17 | H19 | 109.5° | 109.4° |
| C16 | C17 | H20 | 109.5° | 109.5° |
| C16 | C17 | H21 | 109.5° | 109.5° |
| C16 | C15 | C20 | 120.8° | 119.9° |
| C16 | C15 | C14 | 118.8° | 119.9° |
| C23 | C22 | C21 | 126.5° | 126.6° |
| C23 | C22 | N24 | 127.2° | 126.6° |
| C22 | C23 | H29 | 109.5° | 109.5° |
| C22 | C23 | H30 | 109.4° | 109.5° |
| C22 | C23 | H31 | 109.5° | 109.5° |
| C30 | O29 | C28 | 114.2° | 117.0° |
| O29 | C30 | H32 | 109.5° | 109.4° |
| O29 | C30 | H33 | 109.5° | 109.5° |
| O29 | C30 | H34 | 109.5° | 109.5° |
| C20 | C15 | C14 | 120.4° | 120.2° |
| C15 | C20 | C04 | 119.7° | 120.0° |
| C15 | C20 | H28 | 120.1° | 120.0° |
| C15 | C14 | C13 | 119.9° | 120.2° |
| C15 | C14 | H1 | 120.0° | 119.9° |
| C20 | C04 | N03 | 119.8° | 120.1° |
| C20 | C04 | C05 | 120.0° | 119.8° |
| C04 | C20 | H28 | 120.2° | 120.0° |
| O01 | C02 | C21 | 121.2° | 120.0° |
| O01 | C02 | N03 | 121.2° | 120.0° |
| O29 | C28 | C31 | 119.6° | 120.0° |
| O29 | C28 | C27 | 120.6° | 120.0° |
| C28 | C31 | C32 | 120.1° | 120.1° |
| C31 | C28 | C27 | 119.8° | 119.9° |
| C28 | C31 | H5 | 119.9° | 119.9° |
| C31 | C32 | C33 | 119.9° | 120.2° |
| C32 | C31 | H5 | 120.0° | 120.0° |
| C31 | C32 | H6 | 120.0° | 119.9° |
| C28 | C27 | N24 | 121.7° | 120.1° |
| C28 | C27 | C36 | 119.9° | 119.9° |
| C32 | C33 | C36 | 120.2° | 120.0° |
| C32 | C33 | O34 | 120.5° | 120.0° |
| C33 | C32 | H6 | 120.1° | 119.9° |
| C21 | C22 | N24 | 106.3° | 106.8° |
| C22 | C21 | C02 | 128.5° | 125.7° |
| C22 | C21 | N26 | 108.4° | 108.5° |
| C22 | N24 | C27 | 128.8° | 126.6° |
| C22 | N24 | N25 | 109.4° | 106.8° |
| C14 | C13 | C05 | 120.2° | 120.0° |
| C13 | C14 | H1 | 120.1° | 119.9° |
| C14 | C13 | H4 | 119.9° | 120.0° |
| C21 | C02 | N03 | 117.6° | 120.0° |
| C02 | C21 | N26 | 123.2° | 125.8° |
| C02 | N03 | C04 | 120.0° | 120.0° |
| C02 | N03 | H38 | 120.0° | 120.0° |
| N24 | C27 | C36 | 118.2° | 120.1° |
| C27 | N24 | N25 | 121.8° | 126.6° |
| C27 | C36 | C33 | 120.0° | 119.9° |
| C27 | C36 | H7 | 120.0° | 120.0° |
| C36 | C33 | O34 | 119.3° | 120.0° |
| C33 | C36 | H7 | 120.0° | 120.0° |
| C33 | O34 | C35 | 114.6° | 117.0° |
| N03 | C04 | C05 | 120.2° | 120.1° |
| C04 | N03 | H38 | 120.0° | 120.0° |
| C04 | C05 | C13 | 119.9° | 119.9° |
| C04 | C05 | O06 | 122.4° | 120.1° |
| C21 | N26 | N25 | 108.2° | 109.5° |
| N24 | N25 | N26 | 107.7° | 108.4° |
| O34 | C35 | H35 | 109.5° | 109.5° |
| O34 | C35 | H36 | 109.5° | 109.5° |
| O34 | C35 | H37 | 109.4° | 109.5° |
| C13 | C05 | O06 | 117.7° | 120.1° |
| C05 | C13 | H4 | 119.9° | 120.0° |
| C05 | O06 | C07 | 119.8° | 117.0° |
| O06 | C07 | C08 | 111.6° | 109.5° |
| O06 | C07 | C10 | 108.2° | 109.4° |
| O06 | C07 | H8 | 110.5° | 109.4° |
| C08 | C07 | C10 | 109.1° | 109.5° |
| C07 | C08 | C09 | 112.7° | 109.5° |
| C08 | C07 | H8 | 108.7° | 109.5° |
| C07 | C08 | H9 | 108.7° | 109.4° |
| C07 | C08 | H10 | 108.6° | 109.4° |
| C07 | C10 | C11 | 112.5° | 109.5° |
| C07 | C10 | H2 | 108.7° | 109.4° |
| C07 | C10 | H3 | 108.7° | 109.5° |
| C10 | C07 | H8 | 108.7° | 109.5° |
| C09 | C08 | H9 | 108.6° | 109.5° |
| C09 | C08 | H10 | 108.7° | 109.5° |
| C08 | C09 | H11 | 109.5° | 109.4° |
| C08 | C09 | H12 | 109.5° | 109.5° |
| C08 | C09 | H13 | 109.5° | 109.5° |
| C10 | C11 | C12 | 112.5° | 109.5° |
| C11 | C10 | H2 | 108.7° | 109.5° |
| C11 | C10 | H3 | 108.7° | 109.5° |
| C10 | C11 | H14 | 108.7° | 109.4° |
| C10 | C11 | H15 | 108.7° | 109.5° |
| C12 | C11 | H14 | 108.7° | 109.4° |
| C12 | C11 | H15 | 108.7° | 109.5° |
| C11 | C12 | H16 | 109.5° | 109.4° |
| C11 | C12 | H17 | 109.5° | 109.5° |
| C11 | C12 | H18 | 109.4° | 109.4° |
| H2 | C10 | H3 | 109.5° | 109.5° |
| H9 | C08 | H10 | 109.5° | 109.5° |
| H11 | C09 | H12 | 109.5° | 109.5° |
| H11 | C09 | H13 | 109.5° | 109.5° |
| H12 | C09 | H13 | 109.4° | 109.5° |
| H14 | C11 | H15 | 109.5° | 109.5° |
| H16 | C12 | H17 | 109.5° | 109.5° |
| H16 | C12 | H18 | 109.5° | 109.4° |
| H17 | C12 | H18 | 109.5° | 109.5° |
| H19 | C17 | H20 | 109.5° | 109.5° |
| H19 | C17 | H21 | 109.5° | 109.5° |
| H20 | C17 | H21 | 109.5° | 109.5° |
| H22 | C18 | H23 | 109.5° | 109.4° |
| H22 | C18 | H24 | 109.5° | 109.5° |
| H23 | C18 | H24 | 109.5° | 109.5° |
| H25 | C19 | H26 | 109.5° | 109.5° |
| H25 | C19 | H27 | 109.4° | 109.5° |
| H26 | C19 | H27 | 109.5° | 109.5° |
| H29 | C23 | H30 | 109.5° | 109.4° |
| H29 | C23 | H31 | 109.5° | 109.5° |
| H30 | C23 | H31 | 109.5° | 109.4° |
| H32 | C30 | H33 | 109.4° | 109.4° |
| H32 | C30 | H34 | 109.5° | 109.5° |
| H33 | C30 | H34 | 109.5° | 109.5° |
| H35 | C35 | H36 | 109.4° | 109.5° |
| H35 | C35 | H37 | 109.5° | 109.4° |
| H36 | C35 | H37 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | C16 | C19 | C17 | 120.1° | 120.0° |
| C18 | C16 | C19 | C15 | 120.0° | 120.0° |
| C18 | C16 | C17 | C15 | 119.4° | 120.0° |
| C18 | C16 | C15 | C20 | 47.4° | 180.0° |
| C18 | C16 | C15 | C14 | 132.4° | 0.5° |
| C18 | C16 | C17 | H19 | 180.0° | 60.0° |
| C18 | C16 | C17 | H20 | 60.0° | 60.0° |
| C18 | C16 | C17 | H21 | 60.0° | 180.0° |
| C16 | C18 | H22 | H23 | 120.0° | 120.0° |
| C16 | C18 | H22 | H24 | 120.0° | 120.0° |
| C16 | C18 | H23 | H24 | 120.0° | 120.0° |
| C18 | C16 | C19 | H25 | 180.0° | 180.0° |
| C18 | C16 | C19 | H26 | 60.0° | 60.0° |
| C18 | C16 | C19 | H27 | 60.0° | 60.0° |
| C19 | C16 | C17 | C15 | 120.3° | 119.9° |
| C19 | C16 | C15 | C20 | 72.8° | 60.0° |
| C19 | C16 | C15 | C14 | 107.4° | 120.6° |
| C19 | C16 | C17 | H19 | 59.6° | 180.0° |
| C19 | C16 | C17 | H20 | 179.7° | 60.0° |
| C19 | C16 | C17 | H21 | 60.4° | 60.0° |
| C19 | C16 | C18 | H22 | 180.0° | 60.0° |
| C19 | C16 | C18 | H23 | 60.0° | 59.9° |
| C19 | C16 | C18 | H24 | 60.0° | 180.0° |
| C16 | C19 | H25 | H26 | 120.0° | 120.0° |
| C16 | C19 | H25 | H27 | 120.0° | 120.0° |
| C16 | C19 | H26 | H27 | 120.0° | 119.9° |
| C17 | C16 | C15 | C20 | 166.9° | 59.9° |
| C17 | C16 | C15 | C14 | 13.0° | 119.5° |
| C16 | C17 | H19 | H20 | 120.0° | 120.0° |
| C16 | C17 | H19 | H21 | 120.0° | 120.0° |
| C16 | C17 | H20 | H21 | 120.0° | 120.0° |
| C17 | C16 | C18 | H22 | 59.5° | 180.0° |
| C17 | C16 | C18 | H23 | 179.5° | 60.0° |
| C17 | C16 | C18 | H24 | 60.5° | 60.0° |
| C17 | C16 | C19 | H25 | 59.9° | 60.0° |
| C17 | C16 | C19 | H26 | 60.1° | 60.0° |
| C17 | C16 | C19 | H27 | 179.9° | 180.0° |
| C16 | C15 | C20 | C14 | 179.8° | 179.4° |
| C16 | C15 | C20 | C04 | 180.0° | 180.0° |
| C16 | C15 | C14 | C13 | 180.0° | 179.4° |
| C16 | C15 | C14 | H1 | 0.0° | 0.3° |
| C15 | C16 | C17 | H19 | 60.6° | 60.0° |
| C15 | C16 | C17 | H20 | 59.4° | 180.0° |
| C15 | C16 | C17 | H21 | 179.4° | 60.0° |
| C15 | C16 | C18 | H22 | 59.8° | 60.0° |
| C15 | C16 | C18 | H23 | 60.2° | 180.0° |
| C15 | C16 | C18 | H24 | 179.8° | 60.0° |
| C15 | C16 | C19 | H25 | 60.0° | 60.0° |
| C15 | C16 | C19 | H26 | 180.0° | 180.0° |
| C15 | C16 | C19 | H27 | 59.9° | 60.1° |
| C16 | C15 | C20 | H28 | 0.0° | 0.6° |
| C23 | C22 | C21 | N24 | 180.0° | 180.0° |
| C23 | C22 | C21 | C02 | 0.1° | 0.0° |
| C23 | C22 | N24 | C27 | 0.0° | 0.0° |
| C23 | C22 | C21 | N26 | 180.0° | 179.7° |
| C23 | C22 | N24 | N25 | 179.9° | 180.0° |
| C22 | C23 | H29 | H30 | 120.0° | 120.0° |
| C22 | C23 | H29 | H31 | 120.0° | 120.1° |
| C22 | C23 | H30 | H31 | 120.0° | 120.0° |
| C30 | O29 | C28 | C31 | 0.6° | 0.0° |
| C30 | O29 | C28 | C27 | 179.8° | 180.0° |
| O29 | C30 | H32 | H33 | 120.0° | 120.0° |
| O29 | C30 | H32 | H34 | 120.0° | 120.0° |
| O29 | C30 | H33 | H34 | 120.0° | 120.0° |
| C15 | C20 | C04 | H28 | 180.0° | 179.3° |
| C20 | C15 | C14 | C13 | 0.2° | 0.0° |
| C15 | C20 | C04 | N03 | 179.9° | 179.7° |
| C15 | C20 | C04 | C05 | 0.8° | 0.9° |
| C20 | C15 | C14 | H1 | 179.8° | 179.7° |
| C14 | C15 | C20 | C04 | 0.2° | 0.6° |
| C15 | C14 | C13 | H1 | 180.0° | 179.7° |
| C15 | C14 | C13 | C05 | 0.8° | 0.3° |
| C15 | C14 | C13 | H4 | 179.2° | 179.7° |
| C14 | C15 | C20 | H28 | 179.8° | 179.9° |
| C20 | C04 | N03 | C02 | 60.3° | 33.2° |
| C20 | C04 | N03 | C05 | 179.0° | 179.4° |
| C20 | C04 | C05 | C13 | 1.4° | 0.6° |
| C20 | C04 | C05 | O06 | 179.1° | 179.4° |
| C20 | C04 | N03 | H38 | 119.8° | 146.9° |
| O01 | C02 | C21 | C22 | 48.2° | 0.3° |
| O01 | C02 | C21 | N03 | 178.9° | 180.0° |
| O01 | C02 | N03 | C04 | 0.2° | 4.9° |
| O01 | C02 | C21 | N26 | 131.7° | 180.0° |
| O01 | C02 | N03 | H38 | 179.9° | 175.2° |
| O29 | C28 | C31 | C27 | 179.2° | 180.0° |
| O29 | C28 | C31 | C32 | 179.8° | 180.0° |
| O29 | C28 | C27 | N24 | 2.6° | 0.0° |
| O29 | C28 | C27 | C36 | 179.0° | 180.0° |
| O29 | C28 | C31 | H5 | 0.2° | 0.2° |
| C28 | O29 | C30 | H32 | 180.0° | 60.0° |
| C28 | O29 | C30 | H33 | 60.0° | 179.9° |
| C28 | O29 | C30 | H34 | 60.0° | 60.0° |
| C28 | C31 | C32 | H5 | 180.0° | 179.8° |
| C28 | C31 | C32 | C33 | 0.4° | 0.0° |
| C31 | C28 | C27 | N24 | 178.2° | 180.0° |
| C31 | C28 | C27 | C36 | 1.8° | 0.0° |
| C28 | C31 | C32 | H6 | 179.5° | 180.0° |
| C32 | C31 | C28 | C27 | 0.6° | 0.0° |
| C31 | C32 | C33 | H6 | 180.0° | 180.0° |
| C31 | C32 | C33 | C36 | 0.2° | 0.0° |
| C31 | C32 | C33 | O34 | 179.7° | 180.0° |
| C28 | C27 | N24 | C22 | 62.5° | 131.9° |
| C28 | C27 | N24 | C36 | 176.5° | 180.0° |
| C28 | C27 | C36 | C33 | 2.0° | 0.1° |
| C28 | C27 | N24 | N25 | 117.4° | 48.1° |
| C27 | C28 | C31 | H5 | 179.5° | 179.8° |
| C28 | C27 | C36 | H7 | 178.0° | 180.0° |
| C32 | C33 | C36 | C27 | 1.0° | 0.0° |
| C32 | C33 | C36 | O34 | 180.0° | 180.0° |
| C32 | C33 | O34 | C35 | 163.8° | 0.0° |
| C33 | C32 | C31 | H5 | 179.5° | 179.8° |
| C32 | C33 | C36 | H7 | 179.0° | 180.0° |
| C22 | C21 | C02 | N26 | 179.8° | 179.7° |
| C22 | C21 | C02 | N03 | 132.9° | 179.8° |
| C21 | C22 | N24 | C27 | 179.9° | 180.0° |
| C21 | C22 | N24 | N25 | 0.0° | 0.0° |
| C22 | C21 | N26 | N25 | 0.1° | 0.4° |
| C21 | C22 | C23 | H29 | 90.0° | 94.0° |
| C21 | C22 | C23 | H30 | 150.0° | 146.0° |
| C21 | C22 | C23 | H31 | 30.0° | 26.1° |
| N24 | C22 | C21 | C02 | 179.9° | 180.0° |
| C22 | N24 | C27 | N25 | 179.9° | 179.9° |
| C22 | N24 | C27 | C36 | 121.1° | 48.0° |
| N24 | C22 | C21 | N26 | 0.0° | 0.2° |
| C22 | N24 | N25 | N26 | 0.1° | 0.2° |
| N24 | C22 | C23 | H29 | 90.0° | 86.0° |
| N24 | C22 | C23 | H30 | 30.0° | 34.0° |
| N24 | C22 | C23 | H31 | 150.0° | 154.0° |
| C14 | C13 | C05 | C04 | 1.4° | 0.1° |
| C14 | C13 | C05 | H4 | 180.0° | 179.9° |
| C14 | C13 | C05 | O06 | 179.2° | 179.9° |
| C21 | C02 | N03 | C04 | 178.8° | 175.2° |
| C02 | C21 | N26 | N25 | 179.9° | 179.8° |
| C21 | C02 | N03 | H38 | 1.2° | 4.7° |
| C02 | N03 | C04 | H38 | 180.0° | 179.9° |
| C02 | N03 | C04 | C05 | 118.8° | 147.4° |
| N03 | C02 | C21 | N26 | 47.2° | 0.1° |
| N24 | C27 | C36 | C33 | 178.5° | 180.0° |
| C27 | N24 | N25 | N26 | 180.0° | 179.7° |
| N24 | C27 | C36 | H7 | 1.5° | 0.0° |
| C27 | C36 | C33 | H7 | 180.0° | 179.9° |
| C27 | C36 | C33 | O34 | 179.0° | 179.9° |
| C36 | C27 | N24 | N25 | 59.1° | 131.9° |
| C36 | C33 | O34 | C35 | 16.2° | 180.0° |
| C36 | C33 | C32 | H6 | 179.8° | 180.0° |
| O34 | C33 | C32 | H6 | 0.3° | 0.0° |
| O34 | C33 | C36 | H7 | 1.0° | 0.0° |
| C33 | O34 | C35 | H35 | 180.0° | 60.1° |
| C33 | O34 | C35 | H36 | 60.0° | 60.0° |
| C33 | O34 | C35 | H37 | 60.0° | 180.0° |
| N03 | C04 | C05 | C13 | 179.5° | 180.0° |
| N03 | C04 | C05 | O06 | 1.9° | 0.0° |
| N03 | C04 | C20 | H28 | 0.1° | 0.4° |
| C04 | C05 | C13 | O06 | 177.8° | 180.0° |
| C04 | C05 | O06 | C07 | 65.5° | 177.5° |
| C04 | C05 | C13 | H4 | 178.6° | 180.0° |
| C05 | C04 | C20 | H28 | 179.2° | 179.8° |
| C05 | C04 | N03 | H38 | 61.2° | 32.5° |
| C21 | N26 | N25 | N24 | 0.1° | 0.4° |
| O34 | C35 | H35 | H36 | 120.0° | 120.0° |
| O34 | C35 | H35 | H37 | 120.0° | 120.0° |
| O34 | C35 | H36 | H37 | 120.0° | 120.0° |
| C13 | C05 | O06 | C07 | 116.8° | 2.5° |
| C05 | C13 | C14 | H1 | 179.3° | 180.0° |
| C05 | O06 | C07 | C08 | 109.4° | 95.7° |
| C05 | O06 | C07 | C10 | 130.5° | 144.3° |
| O06 | C05 | C13 | H4 | 0.8° | 0.0° |
| C05 | O06 | C07 | H8 | 11.6° | 24.3° |
| O06 | C07 | C08 | C10 | 119.5° | 120.0° |
| O06 | C07 | C08 | H8 | 122.1° | 120.0° |
| O06 | C07 | C10 | H8 | 120.0° | 119.9° |
| O06 | C07 | C08 | C09 | 0.5° | 65.0° |
| O06 | C07 | C10 | C11 | 63.7° | 65.0° |
| O06 | C07 | C10 | H2 | 56.7° | 175.0° |
| O06 | C07 | C10 | H3 | 175.8° | 55.0° |
| O06 | C07 | C08 | H9 | 120.0° | 55.0° |
| O06 | C07 | C08 | H10 | 120.9° | 175.0° |
| C08 | C07 | C10 | H8 | 118.4° | 120.1° |
| C07 | C08 | C09 | H9 | 120.5° | 120.0° |
| C07 | C08 | C09 | H10 | 120.5° | 120.0° |
| C08 | C07 | C10 | C11 | 57.9° | 175.0° |
| C08 | C07 | C10 | H2 | 178.3° | 55.0° |
| C08 | C07 | C10 | H3 | 62.6° | 65.0° |
| C07 | C08 | H9 | H10 | 118.5° | 119.9° |
| C07 | C08 | C09 | H11 | 180.0° | 180.0° |
| C07 | C08 | C09 | H12 | 60.0° | 60.0° |
| C07 | C08 | C09 | H13 | 60.0° | 60.0° |
| C10 | C07 | C08 | C09 | 120.0° | 175.0° |
| C07 | C10 | C11 | H2 | 120.4° | 120.0° |
| C07 | C10 | C11 | H3 | 120.5° | 120.0° |
| C07 | C10 | C11 | C12 | 95.2° | 180.0° |
| C07 | C10 | H2 | H3 | 118.6° | 120.0° |
| C10 | C07 | C08 | H9 | 0.5° | 65.0° |
| C10 | C07 | C08 | H10 | 119.5° | 55.0° |
| C07 | C10 | C11 | H14 | 144.4° | 60.0° |
| C07 | C10 | C11 | H15 | 25.3° | 60.0° |
| C09 | C08 | C07 | H8 | 121.6° | 55.0° |
| C09 | C08 | H9 | H10 | 118.5° | 120.1° |
| C08 | C09 | H11 | H12 | 120.0° | 120.0° |
| C08 | C09 | H11 | H13 | 120.0° | 120.0° |
| C08 | C09 | H12 | H13 | 120.0° | 120.0° |
| C10 | C11 | C12 | H14 | 120.5° | 120.0° |
| C10 | C11 | C12 | H15 | 120.5° | 120.0° |
| C11 | C10 | H2 | H3 | 118.6° | 120.0° |
| C11 | C10 | C07 | H8 | 176.3° | 55.0° |
| C10 | C11 | H14 | H15 | 118.6° | 120.0° |
| C10 | C11 | C12 | H16 | 180.0° | 60.0° |
| C10 | C11 | C12 | H17 | 60.0° | 60.0° |
| C10 | C11 | C12 | H18 | 60.0° | 180.0° |
| C12 | C11 | C10 | H2 | 25.3° | 60.1° |
| C12 | C11 | C10 | H3 | 144.4° | 60.0° |
| C12 | C11 | H14 | H15 | 118.6° | 120.0° |
| C11 | C12 | H16 | H17 | 120.0° | 120.0° |
| C11 | C12 | H16 | H18 | 120.0° | 119.9° |
| C11 | C12 | H17 | H18 | 120.0° | 120.0° |
| H1 | C14 | C13 | H4 | 0.7° | 0.1° |
| H2 | C10 | C07 | H8 | 63.3° | 65.1° |
| H2 | C10 | C11 | H14 | 95.2° | 180.0° |
| H2 | C10 | C11 | H15 | 145.7° | 60.0° |
| H3 | C10 | C07 | H8 | 55.8° | 174.9° |
| H3 | C10 | C11 | H14 | 23.9° | 59.9° |
| H3 | C10 | C11 | H15 | 95.2° | 180.0° |
| H5 | C31 | C32 | H6 | 0.5° | 0.2° |
| H8 | C07 | C08 | H9 | 117.9° | 175.0° |
| H8 | C07 | C08 | H10 | 1.1° | 65.1° |
| H9 | C08 | C09 | H11 | 59.5° | 60.0° |
| H9 | C08 | C09 | H12 | 179.5° | 180.0° |
| H9 | C08 | C09 | H13 | 60.5° | 60.0° |
| H10 | C08 | C09 | H11 | 59.5° | 60.0° |
| H10 | C08 | C09 | H12 | 60.5° | 60.0° |
| H10 | C08 | C09 | H13 | 179.6° | 180.0° |
| H11 | C09 | H12 | H13 | 120.0° | 120.0° |
| H14 | C11 | C12 | H16 | 59.6° | 180.0° |
| H14 | C11 | C12 | H17 | 179.6° | 60.0° |
| H14 | C11 | C12 | H18 | 60.5° | 60.1° |
| H15 | C11 | C12 | H16 | 59.5° | 60.0° |
| H15 | C11 | C12 | H17 | 60.5° | 180.0° |
| H15 | C11 | C12 | H18 | 179.5° | 60.0° |
| H16 | C12 | H17 | H18 | 120.0° | 120.0° |
| H19 | C17 | H20 | H21 | 120.0° | 120.0° |
| H22 | C18 | H23 | H24 | 120.0° | 120.0° |
| H25 | C19 | H26 | H27 | 119.9° | 120.1° |
| H29 | C23 | H30 | H31 | 120.0° | 120.0° |
| H32 | C30 | H33 | H34 | 120.0° | 120.0° |
| H35 | C35 | H36 | H37 | 120.0° | 120.0° |
