WYI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C25 | C26 | doub | 1.38Å | 1.38Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C26 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| O38 | C29 | doub | 1.21Å | 1.22Å | |
| C21 | C20 | sing | 1.51Å | 1.52Å | |
| C21 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| N19 | C20 | sing | 1.46Å | 1.45Å | |
| N19 | C18 | sing | 1.38Å | 1.34Å | |
| C27 | C20 | sing | 1.53Å | 1.52Å | |
| C27 | O28 | sing | 1.45Å | 1.44Å | |
| C23 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| N17 | C18 | doub | 1.32Å | 1.33Å | Aromatic |
| N17 | C13 | sing | 1.33Å | 1.33Å | Aromatic |
| C31 | N30 | sing | 1.47Å | 1.46Å | |
| C31 | C32 | sing | 1.53Å | 1.52Å | |
| C29 | O28 | sing | 1.35Å | 1.35Å | |
| C29 | N30 | sing | 1.35Å | 1.35Å | |
| N14 | C13 | sing | 1.36Å | 1.34Å | Aromatic |
| N14 | N15 | sing | 1.40Å | 1.40Å | Aromatic |
| C18 | N39 | sing | 1.33Å | 1.35Å | Aromatic |
| N30 | C37 | sing | 1.47Å | 1.47Å | |
| C13 | C12 | doub | 1.41Å | 1.39Å | Aromatic |
| N34 | C33 | sing | 1.47Å | 1.48Å | |
| N15 | C16 | doub | 1.30Å | 1.30Å | Aromatic |
| C33 | C32 | sing | 1.53Å | 1.53Å | |
| C37 | C36 | sing | 1.53Å | 1.53Å | |
| C32 | O35 | sing | 1.43Å | 1.45Å | |
| N39 | C11 | doub | 1.33Å | 1.35Å | Aromatic |
| C12 | C16 | sing | 1.41Å | 1.43Å | Aromatic |
| C12 | C11 | sing | 1.41Å | 1.40Å | Aromatic |
| O35 | C36 | sing | 1.43Å | 1.45Å | |
| C11 | N10 | sing | 1.38Å | 1.36Å | |
| N10 | C09 | sing | 1.40Å | 1.40Å | |
| C08 | C09 | sing | 1.40Å | 1.42Å | Aromatic |
| C08 | C03 | doub | 1.35Å | 1.38Å | Aromatic |
| C07 | C04 | sing | 1.53Å | 1.54Å | |
| C09 | N40 | doub | 1.31Å | 1.29Å | Aromatic |
| C03 | C04 | sing | 1.51Å | 1.53Å | |
| C03 | N02 | sing | 1.35Å | 1.35Å | Aromatic |
| C04 | C06 | sing | 1.53Å | 1.55Å | |
| C04 | C05 | sing | 1.53Å | 1.55Å | |
| N40 | N02 | sing | 1.40Å | 1.39Å | Aromatic |
| N02 | C01 | sing | 1.47Å | 1.45Å | |
| C16 | H1 | sing | 1.08Å | 1.08Å | |
| C20 | H2 | sing | 1.09Å | 1.10Å | |
| C22 | H3 | sing | 1.08Å | 1.08Å | |
| C23 | H4 | sing | 1.08Å | 1.08Å | |
| C25 | H5 | sing | 1.08Å | 1.08Å | |
| C26 | H6 | sing | 1.08Å | 1.08Å | |
| C31 | H7 | sing | 1.09Å | 1.10Å | |
| C31 | H8 | sing | 1.09Å | 1.10Å | |
| C32 | H9 | sing | 1.09Å | 1.10Å | |
| C01 | H10 | sing | 1.09Å | 1.10Å | |
| C01 | H11 | sing | 1.09Å | 1.10Å | |
| C01 | H12 | sing | 1.09Å | 1.10Å | |
| C05 | H13 | sing | 1.09Å | 1.10Å | |
| C05 | H14 | sing | 1.09Å | 1.10Å | |
| C05 | H15 | sing | 1.09Å | 1.10Å | |
| C06 | H16 | sing | 1.09Å | 1.10Å | |
| C06 | H17 | sing | 1.09Å | 1.10Å | |
| C06 | H18 | sing | 1.09Å | 1.10Å | |
| C07 | H19 | sing | 1.09Å | 1.10Å | |
| C07 | H20 | sing | 1.09Å | 1.10Å | |
| C07 | H21 | sing | 1.09Å | 1.10Å | |
| C08 | H22 | sing | 1.08Å | 1.08Å | |
| C24 | H23 | sing | 1.08Å | 1.08Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å | |
| C27 | H25 | sing | 1.09Å | 1.10Å | |
| C33 | H26 | sing | 1.09Å | 1.10Å | |
| C33 | H27 | sing | 1.09Å | 1.10Å | |
| C36 | H28 | sing | 1.09Å | 1.10Å | |
| C36 | H29 | sing | 1.09Å | 1.10Å | |
| C37 | H30 | sing | 1.09Å | 1.10Å | |
| C37 | H31 | sing | 1.09Å | 1.10Å | |
| N10 | H32 | sing | 0.97Å | 1.00Å | |
| N14 | H33 | sing | 0.97Å | 1.00Å | |
| N19 | H34 | sing | 0.97Å | 1.00Å | |
| N34 | H35 | sing | 1.01Å | 1.00Å | |
| N34 | H36 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C26 | C25 | C24 | 119.7° | 120.0° |
| C25 | C26 | C21 | 121.2° | 120.1° |
| C26 | C25 | H5 | 120.2° | 120.0° |
| C25 | C26 | H6 | 119.5° | 119.9° |
| C25 | C24 | C23 | 119.6° | 120.0° |
| C24 | C25 | H5 | 120.1° | 120.0° |
| C25 | C24 | H23 | 120.2° | 120.0° |
| C26 | C21 | C20 | 122.1° | 120.0° |
| C26 | C21 | C22 | 119.1° | 120.0° |
| C21 | C26 | H6 | 119.4° | 120.0° |
| C24 | C23 | C22 | 120.7° | 120.0° |
| C24 | C23 | H4 | 119.7° | 120.0° |
| C23 | C24 | H23 | 120.2° | 120.0° |
| O38 | C29 | O28 | 121.3° | 120.0° |
| O38 | C29 | N30 | 126.1° | 120.0° |
| C20 | C21 | C22 | 118.8° | 120.0° |
| C21 | C20 | N19 | 105.8° | 109.5° |
| C21 | C20 | C27 | 115.9° | 109.4° |
| C21 | C20 | H2 | 109.3° | 109.4° |
| C21 | C22 | C23 | 119.8° | 120.0° |
| C21 | C22 | H3 | 120.1° | 120.0° |
| C20 | N19 | C18 | 123.4° | 120.0° |
| N19 | C20 | C27 | 106.1° | 109.5° |
| N19 | C20 | H2 | 110.3° | 109.5° |
| C20 | N19 | H34 | 105.9° | 120.0° |
| N19 | C18 | N17 | 115.8° | 118.8° |
| N19 | C18 | N39 | 118.2° | 118.8° |
| C18 | N19 | H34 | 105.9° | 120.0° |
| C20 | C27 | O28 | 104.7° | 109.5° |
| C27 | C20 | H2 | 109.3° | 109.5° |
| C20 | C27 | H24 | 110.7° | 109.5° |
| C20 | C27 | H25 | 110.7° | 109.5° |
| C27 | O28 | C29 | 116.7° | 117.0° |
| O28 | C27 | H24 | 110.6° | 109.5° |
| O28 | C27 | H25 | 110.7° | 109.4° |
| C23 | C22 | H3 | 120.1° | 120.0° |
| C22 | C23 | H4 | 119.6° | 120.0° |
| C18 | N17 | C13 | 113.1° | 120.6° |
| N17 | C18 | N39 | 126.0° | 122.4° |
| N17 | C13 | N14 | 125.9° | 134.5° |
| N17 | C13 | C12 | 126.8° | 118.9° |
| N30 | C31 | C32 | 103.6° | 108.4° |
| C31 | N30 | C29 | 123.6° | 121.0° |
| C31 | N30 | C37 | 114.9° | 118.0° |
| N30 | C31 | H7 | 110.9° | 109.7° |
| N30 | C31 | H8 | 110.9° | 109.7° |
| C31 | C32 | C33 | 114.5° | 109.5° |
| C31 | C32 | O35 | 105.7° | 109.2° |
| C32 | C31 | H7 | 110.9° | 109.7° |
| C32 | C31 | H8 | 110.9° | 109.7° |
| C31 | C32 | H9 | 108.6° | 109.6° |
| O28 | C29 | N30 | 112.6° | 120.0° |
| C29 | N30 | C37 | 121.4° | 121.0° |
| C13 | N14 | N15 | 110.8° | 108.2° |
| N14 | C13 | C12 | 107.3° | 106.6° |
| C13 | N14 | H33 | 124.6° | 125.9° |
| N14 | N15 | C16 | 106.3° | 109.7° |
| N15 | N14 | H33 | 124.5° | 125.8° |
| C18 | N39 | C11 | 119.6° | 121.2° |
| N30 | C37 | C36 | 109.8° | 108.4° |
| N30 | C37 | H30 | 109.4° | 109.7° |
| N30 | C37 | H31 | 109.4° | 109.7° |
| C13 | C12 | C16 | 105.1° | 107.1° |
| C13 | C12 | C11 | 115.5° | 118.4° |
| N34 | C33 | C32 | 106.8° | 109.5° |
| N34 | C33 | H26 | 110.2° | 109.5° |
| N34 | C33 | H27 | 110.1° | 109.5° |
| C33 | N34 | H35 | 109.5° | 111.0° |
| C33 | N34 | H36 | 109.5° | 111.0° |
| N15 | C16 | C12 | 110.5° | 108.4° |
| N15 | C16 | H1 | 124.8° | 125.8° |
| C33 | C32 | O35 | 109.7° | 109.5° |
| C33 | C32 | H9 | 108.6° | 109.5° |
| C32 | C33 | H26 | 110.1° | 109.4° |
| C32 | C33 | H27 | 110.1° | 109.5° |
| C37 | C36 | O35 | 112.0° | 109.2° |
| C37 | C36 | H28 | 108.8° | 109.5° |
| C37 | C36 | H29 | 108.8° | 109.5° |
| C36 | C37 | H30 | 109.4° | 109.7° |
| C36 | C37 | H31 | 109.4° | 109.7° |
| C32 | O35 | C36 | 112.4° | 114.1° |
| O35 | C32 | H9 | 109.6° | 109.5° |
| N39 | C11 | C12 | 119.0° | 118.5° |
| N39 | C11 | N10 | 116.7° | 120.7° |
| C16 | C12 | C11 | 139.4° | 134.5° |
| C12 | C16 | H1 | 124.7° | 125.8° |
| C12 | C11 | N10 | 124.3° | 120.8° |
| O35 | C36 | H28 | 108.8° | 109.5° |
| O35 | C36 | H29 | 108.8° | 109.6° |
| C11 | N10 | C09 | 136.9° | 120.0° |
| C11 | N10 | H32 | 111.6° | 120.0° |
| N10 | C09 | C08 | 126.3° | 126.0° |
| N10 | C09 | N40 | 122.6° | 126.0° |
| C09 | N10 | H32 | 111.5° | 120.0° |
| C09 | C08 | C03 | 105.7° | 107.9° |
| C08 | C09 | N40 | 111.1° | 108.0° |
| C09 | C08 | H22 | 127.2° | 126.0° |
| C08 | C03 | C04 | 127.4° | 126.1° |
| C08 | C03 | N02 | 106.0° | 107.8° |
| C03 | C08 | H22 | 127.1° | 126.1° |
| C07 | C04 | C03 | 111.3° | 109.5° |
| C07 | C04 | C06 | 106.7° | 109.4° |
| C07 | C04 | C05 | 110.0° | 109.4° |
| C04 | C07 | H19 | 109.5° | 109.4° |
| C04 | C07 | H20 | 109.4° | 109.5° |
| C04 | C07 | H21 | 109.5° | 109.5° |
| C09 | N40 | N02 | 105.7° | 108.2° |
| C04 | C03 | N02 | 126.6° | 126.1° |
| C03 | C04 | C06 | 110.7° | 109.5° |
| C03 | C04 | C05 | 110.4° | 109.5° |
| C03 | N02 | N40 | 111.5° | 108.1° |
| C03 | N02 | C01 | 135.9° | 125.9° |
| C06 | C04 | C05 | 107.6° | 109.5° |
| C04 | C06 | H16 | 109.5° | 109.5° |
| C04 | C06 | H17 | 109.4° | 109.5° |
| C04 | C06 | H18 | 109.5° | 109.4° |
| C04 | C05 | H13 | 109.5° | 109.4° |
| C04 | C05 | H14 | 109.5° | 109.5° |
| C04 | C05 | H15 | 109.5° | 109.5° |
| N40 | N02 | C01 | 112.6° | 126.0° |
| N02 | C01 | H10 | 109.5° | 109.5° |
| N02 | C01 | H11 | 109.5° | 109.5° |
| N02 | C01 | H12 | 109.5° | 109.5° |
| H7 | C31 | H8 | 109.5° | 109.7° |
| H10 | C01 | H11 | 109.4° | 109.5° |
| H10 | C01 | H12 | 109.5° | 109.5° |
| H11 | C01 | H12 | 109.5° | 109.4° |
| H13 | C05 | H14 | 109.4° | 109.5° |
| H13 | C05 | H15 | 109.5° | 109.5° |
| H14 | C05 | H15 | 109.5° | 109.5° |
| H16 | C06 | H17 | 109.4° | 109.5° |
| H16 | C06 | H18 | 109.5° | 109.5° |
| H17 | C06 | H18 | 109.5° | 109.5° |
| H19 | C07 | H20 | 109.5° | 109.5° |
| H19 | C07 | H21 | 109.4° | 109.5° |
| H20 | C07 | H21 | 109.5° | 109.5° |
| H24 | C27 | H25 | 109.5° | 109.4° |
| H26 | C33 | H27 | 109.5° | 109.4° |
| H28 | C36 | H29 | 109.5° | 109.5° |
| H30 | C37 | H31 | 109.4° | 109.7° |
| H35 | N34 | H36 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C26 | C25 | C24 | H5 | 180.0° | 179.9° |
| C25 | C26 | C21 | H6 | 180.0° | 179.9° |
| C26 | C25 | C24 | C23 | 0.7° | 0.4° |
| C25 | C26 | C21 | C20 | 179.4° | 180.0° |
| C25 | C26 | C21 | C22 | 0.9° | 0.3° |
| C26 | C25 | C24 | H23 | 179.3° | 180.0° |
| C24 | C25 | C26 | C21 | 0.1° | 0.1° |
| C25 | C24 | C23 | H23 | 180.0° | 179.6° |
| C25 | C24 | C23 | C22 | 0.6° | 0.4° |
| C25 | C24 | C23 | H4 | 179.4° | 179.7° |
| C24 | C25 | C26 | H6 | 179.9° | 180.0° |
| C26 | C21 | C20 | C22 | 178.6° | 179.8° |
| C26 | C21 | C20 | N19 | 15.5° | 40.3° |
| C26 | C21 | C20 | C27 | 101.7° | 79.7° |
| C26 | C21 | C22 | C23 | 0.9° | 0.3° |
| C26 | C21 | C20 | H2 | 134.3° | 160.3° |
| C26 | C21 | C22 | H3 | 179.1° | 179.7° |
| C21 | C26 | C25 | H5 | 179.9° | 180.0° |
| C24 | C23 | C22 | C21 | 0.2° | NaN° |
| C24 | C23 | C22 | H4 | 180.0° | 180.0° |
| C24 | C23 | C22 | H3 | 179.8° | 180.0° |
| C23 | C24 | C25 | H5 | 179.3° | 179.7° |
| O38 | C29 | O28 | C27 | 21.7° | 0.0° |
| O38 | C29 | N30 | C31 | 10.1° | 0.0° |
| O38 | C29 | O28 | N30 | 179.3° | 180.0° |
| O38 | C29 | N30 | C37 | 167.4° | 180.0° |
| C21 | C20 | N19 | C27 | 123.6° | 120.0° |
| C21 | C20 | N19 | H2 | 118.1° | 120.0° |
| C21 | C20 | N19 | C18 | 89.7° | 85.0° |
| C21 | C20 | C27 | H2 | 124.0° | 119.9° |
| C21 | C20 | C27 | O28 | 73.9° | 55.0° |
| C20 | C21 | C22 | C23 | 179.5° | 179.9° |
| C20 | C21 | C22 | H3 | 0.5° | 0.0° |
| C20 | C21 | C26 | H6 | 0.6° | 0.1° |
| C21 | C20 | C27 | H24 | 166.9° | 65.0° |
| C21 | C20 | C27 | H25 | 45.4° | 175.0° |
| C21 | C20 | N19 | H34 | 32.2° | 95.0° |
| C22 | C21 | C20 | N19 | 163.0° | 140.0° |
| C22 | C21 | C20 | C27 | 79.7° | 100.0° |
| C21 | C22 | C23 | H3 | 180.0° | 180.0° |
| C22 | C21 | C20 | H2 | 44.3° | 20.0° |
| C21 | C22 | C23 | H4 | 179.8° | 180.0° |
| C22 | C21 | C26 | H6 | 179.1° | 179.6° |
| C20 | N19 | C18 | H34 | 121.9° | 180.0° |
| N19 | C20 | C27 | H2 | 118.9° | 120.1° |
| N19 | C20 | C27 | O28 | 169.1° | 65.0° |
| C20 | N19 | C18 | N17 | 179.6° | 0.1° |
| C20 | N19 | C18 | N39 | 0.2° | 180.0° |
| N19 | C20 | C27 | H24 | 49.8° | 175.0° |
| N19 | C20 | C27 | H25 | 71.7° | 55.0° |
| C18 | N19 | C20 | C27 | 146.6° | 155.0° |
| N19 | C18 | N17 | N39 | 179.8° | 179.9° |
| N19 | C18 | N17 | C13 | 179.6° | 179.7° |
| N19 | C18 | N39 | C11 | 178.7° | 179.9° |
| C18 | N19 | C20 | H2 | 28.4° | 35.0° |
| C20 | C27 | O28 | H24 | 119.2° | 120.0° |
| C20 | C27 | O28 | H25 | 119.3° | 120.0° |
| C20 | C27 | O28 | C29 | 178.0° | 180.0° |
| C20 | C27 | H24 | H25 | 122.2° | 120.0° |
| C27 | C20 | N19 | H34 | 91.5° | 25.0° |
| C27 | O28 | C29 | N30 | 157.5° | 180.0° |
| O28 | C27 | C20 | H2 | 50.2° | 174.9° |
| O28 | C27 | H24 | H25 | 122.2° | 119.9° |
| C22 | C23 | C24 | H23 | 179.4° | 179.9° |
| C18 | N17 | C13 | N14 | 179.6° | 179.7° |
| C18 | N17 | C13 | C12 | 0.9° | 0.4° |
| N17 | C18 | N39 | C11 | 1.5° | 0.1° |
| N17 | C18 | N19 | H34 | 57.7° | 179.9° |
| N17 | C13 | N14 | C12 | 179.0° | 179.9° |
| N17 | C13 | N14 | N15 | 179.4° | 180.0° |
| C13 | N17 | C18 | N39 | 0.5° | 0.4° |
| N17 | C13 | C12 | C16 | 179.8° | 180.0° |
| N17 | C13 | C12 | C11 | 1.2° | 0.1° |
| N17 | C13 | N14 | H33 | 0.6° | 0.1° |
| N30 | C31 | C32 | H7 | 119.0° | 119.7° |
| N30 | C31 | C32 | H8 | 119.1° | 119.7° |
| C31 | N30 | C29 | O28 | 169.1° | 180.0° |
| C31 | N30 | C29 | C37 | 177.5° | 180.0° |
| N30 | C31 | C32 | C33 | 170.5° | 172.2° |
| C31 | N30 | C37 | C36 | 51.6° | 50.5° |
| N30 | C31 | C32 | O35 | 68.6° | 52.4° |
| N30 | C31 | H7 | H8 | 122.8° | 120.5° |
| N30 | C31 | C32 | H9 | 48.9° | 67.6° |
| C31 | N30 | C37 | H30 | 68.5° | 170.3° |
| C31 | N30 | C37 | H31 | 171.6° | 69.2° |
| C32 | C31 | N30 | C29 | 113.3° | 129.5° |
| C32 | C31 | N30 | C37 | 64.4° | 50.5° |
| C31 | C32 | C33 | N34 | 86.0° | 175.0° |
| C31 | C32 | C33 | O35 | 118.7° | 119.7° |
| C31 | C32 | C33 | H9 | 121.6° | 120.2° |
| C31 | C32 | O35 | H9 | 116.9° | 120.0° |
| C31 | C32 | O35 | C36 | 66.9° | 62.6° |
| C32 | C31 | H7 | H8 | 122.7° | 120.5° |
| C31 | C32 | C33 | H26 | 154.5° | 55.0° |
| C31 | C32 | C33 | H27 | 33.6° | 65.0° |
| O28 | C29 | N30 | C37 | 13.4° | 0.0° |
| C29 | O28 | C27 | H24 | 62.8° | 60.0° |
| C29 | O28 | C27 | H25 | 58.7° | 60.0° |
| C29 | N30 | C37 | C36 | 126.2° | 129.5° |
| C29 | N30 | C31 | H7 | 5.8° | 110.8° |
| C29 | N30 | C31 | H8 | 127.7° | 9.8° |
| C29 | N30 | C37 | H30 | 113.8° | 9.8° |
| C29 | N30 | C37 | H31 | 6.1° | 110.8° |
| C13 | N14 | N15 | H33 | 180.0° | 180.0° |
| C13 | N14 | N15 | C16 | 0.2° | 0.0° |
| N14 | C13 | C12 | C16 | 0.9° | 0.1° |
| N14 | C13 | C12 | C11 | 179.8° | 180.0° |
| N15 | N14 | C13 | C12 | 0.4° | 0.1° |
| N14 | N15 | C16 | C12 | 0.8° | 0.0° |
| N14 | N15 | C16 | H1 | 179.2° | 180.0° |
| C18 | N39 | C11 | C12 | 1.1° | 0.2° |
| C18 | N39 | C11 | N10 | 179.8° | 179.9° |
| N39 | C18 | N19 | H34 | 122.1° | 0.1° |
| N30 | C37 | C36 | H30 | 120.1° | 119.7° |
| N30 | C37 | C36 | H31 | 120.1° | 119.8° |
| N30 | C37 | C36 | O35 | 42.8° | 52.3° |
| C37 | N30 | C31 | H7 | 176.6° | 69.2° |
| C37 | N30 | C31 | H8 | 54.7° | 170.3° |
| N30 | C37 | C36 | H28 | 163.2° | 172.2° |
| N30 | C37 | C36 | H29 | 77.6° | 67.7° |
| N30 | C37 | H30 | H31 | 119.8° | 120.5° |
| C13 | C12 | C16 | N15 | 1.0° | 0.0° |
| C13 | C12 | C11 | N39 | 0.2° | 0.2° |
| C13 | C12 | C16 | C11 | 178.6° | 180.0° |
| C13 | C12 | C11 | N10 | 178.9° | 179.9° |
| C13 | C12 | C16 | H1 | 179.0° | 180.0° |
| C12 | C13 | N14 | H33 | 179.6° | 180.0° |
| N34 | C33 | C32 | H26 | 119.6° | 120.0° |
| N34 | C33 | C32 | H27 | 119.6° | 120.0° |
| N34 | C33 | C32 | O35 | 155.4° | 65.2° |
| N34 | C33 | C32 | H9 | 35.6° | 54.8° |
| N34 | C33 | H26 | H27 | 121.3° | 120.0° |
| C33 | N34 | H35 | H36 | 120.0° | 124.0° |
| N15 | C16 | C12 | H1 | 180.0° | 180.0° |
| N15 | C16 | C12 | C11 | 179.6° | 180.0° |
| C16 | N15 | N14 | H33 | 179.8° | 180.0° |
| C33 | C32 | O35 | H9 | 119.1° | 120.1° |
| C33 | C32 | O35 | C36 | 169.1° | 177.4° |
| C33 | C32 | C31 | H7 | 51.4° | 52.5° |
| C33 | C32 | C31 | H8 | 70.5° | 68.0° |
| C32 | C33 | H26 | H27 | 121.2° | 120.0° |
| C32 | C33 | N34 | H35 | 180.0° | 56.0° |
| C32 | C33 | N34 | H36 | 60.0° | 180.0° |
| C37 | C36 | O35 | C32 | 53.6° | 62.6° |
| C37 | C36 | O35 | H28 | 120.4° | 119.9° |
| C37 | C36 | O35 | H29 | 120.4° | 119.9° |
| C37 | C36 | H28 | H29 | 118.8° | 120.1° |
| C36 | C37 | H30 | H31 | 119.9° | 120.5° |
| O35 | C32 | C31 | H7 | 172.3° | 67.4° |
| O35 | C32 | C31 | H8 | 50.4° | 172.1° |
| O35 | C32 | C33 | H26 | 35.8° | 174.7° |
| O35 | C32 | C33 | H27 | 85.0° | 54.8° |
| C32 | O35 | C36 | H28 | 174.0° | 177.5° |
| C32 | O35 | C36 | H29 | 66.8° | 57.3° |
| N39 | C11 | C12 | C16 | 178.6° | 179.7° |
| N39 | C11 | C12 | N10 | 179.1° | 179.7° |
| N39 | C11 | N10 | C09 | 10.0° | 0.3° |
| N39 | C11 | N10 | H32 | 170.1° | 179.7° |
| C16 | C12 | C11 | N10 | 0.5° | 0.0° |
| C12 | C11 | N10 | C09 | 170.9° | 180.0° |
| C11 | C12 | C16 | H1 | 0.4° | 0.0° |
| C12 | C11 | N10 | H32 | 9.1° | 0.0° |
| C36 | O35 | C32 | H9 | 50.0° | 57.4° |
| O35 | C36 | H28 | H29 | 118.8° | 120.2° |
| O35 | C36 | C37 | H30 | 77.3° | 172.0° |
| O35 | C36 | C37 | H31 | 162.9° | 67.4° |
| C11 | N10 | C09 | H32 | 180.0° | 180.0° |
| C11 | N10 | C09 | C08 | 1.7° | 0.0° |
| C11 | N10 | C09 | N40 | 179.8° | 180.0° |
| N10 | C09 | C08 | N40 | 178.6° | 180.0° |
| N10 | C09 | C08 | C03 | 179.1° | 180.0° |
| N10 | C09 | N40 | N02 | 179.9° | 179.7° |
| N10 | C09 | C08 | H22 | 0.9° | 0.1° |
| C09 | C08 | C03 | H22 | 180.0° | 179.9° |
| C09 | C08 | C03 | C04 | 179.0° | 180.0° |
| C09 | C08 | C03 | N02 | 0.5° | 0.2° |
| C08 | C09 | N40 | N02 | 1.2° | 0.3° |
| C08 | C09 | N10 | H32 | 178.3° | 180.0° |
| C08 | C03 | C04 | C07 | 6.3° | 129.1° |
| C03 | C08 | C09 | N40 | 0.5° | 0.0° |
| C08 | C03 | C04 | N02 | 178.3° | 179.6° |
| C08 | C03 | C04 | C06 | 124.7° | 9.1° |
| C08 | C03 | C04 | C05 | 116.2° | 110.9° |
| C08 | C03 | N02 | N40 | 1.2° | 0.4° |
| C08 | C03 | N02 | C01 | 179.8° | 179.8° |
| C07 | C04 | C03 | C06 | 118.5° | 120.0° |
| C07 | C04 | C03 | C05 | 122.5° | 120.0° |
| C07 | C04 | C03 | N02 | 175.5° | 51.2° |
| C07 | C04 | C06 | C05 | 118.1° | 120.0° |
| C07 | C04 | C05 | H13 | 180.0° | 175.0° |
| C07 | C04 | C05 | H14 | 60.0° | 55.0° |
| C07 | C04 | C05 | H15 | 60.0° | 65.0° |
| C07 | C04 | C06 | H16 | 180.0° | 60.0° |
| C07 | C04 | C06 | H17 | 60.0° | 60.0° |
| C07 | C04 | C06 | H18 | 60.0° | 180.0° |
| C04 | C07 | H19 | H20 | 120.0° | 120.0° |
| C04 | C07 | H19 | H21 | 120.0° | 120.0° |
| C04 | C07 | H20 | H21 | 120.0° | 120.0° |
| C09 | N40 | N02 | C03 | 1.6° | 0.4° |
| C09 | N40 | N02 | C01 | 179.3° | 179.7° |
| N40 | C09 | C08 | H22 | 179.5° | 179.9° |
| N40 | C09 | N10 | H32 | 0.2° | 0.0° |
| C03 | C04 | C06 | C05 | 120.7° | 120.0° |
| C04 | C03 | N02 | N40 | 179.8° | 179.9° |
| C04 | C03 | N02 | C01 | 1.3° | 0.1° |
| C03 | C04 | C05 | H13 | 56.8° | 65.0° |
| C03 | C04 | C05 | H14 | 63.2° | 175.0° |
| C03 | C04 | C05 | H15 | 176.8° | 55.0° |
| C03 | C04 | C06 | H16 | 58.8° | 60.0° |
| C03 | C04 | C06 | H17 | 178.7° | 180.0° |
| C03 | C04 | C06 | H18 | 61.3° | 60.0° |
| C03 | C04 | C07 | H19 | 180.0° | 60.0° |
| C03 | C04 | C07 | H20 | 60.0° | 180.0° |
| C03 | C04 | C07 | H21 | 60.0° | 60.0° |
| C04 | C03 | C08 | H22 | 0.9° | 0.0° |
| N02 | C03 | C04 | C06 | 57.0° | 171.2° |
| N02 | C03 | C04 | C05 | 62.1° | 68.7° |
| C03 | N02 | N40 | C01 | 179.2° | 179.8° |
| C03 | N02 | C01 | H10 | 178.9° | 84.8° |
| C03 | N02 | C01 | H11 | 61.1° | 155.1° |
| C03 | N02 | C01 | H12 | 58.9° | 35.2° |
| N02 | C03 | C08 | H22 | 179.5° | 179.7° |
| C06 | C04 | C05 | H13 | 64.1° | 55.0° |
| C06 | C04 | C05 | H14 | 175.9° | 64.9° |
| C06 | C04 | C05 | H15 | 55.9° | 175.1° |
| C04 | C06 | H16 | H17 | 120.0° | 120.0° |
| C04 | C06 | H16 | H18 | 120.0° | 119.9° |
| C04 | C06 | H17 | H18 | 120.0° | 119.9° |
| C06 | C04 | C07 | H19 | 59.1° | 180.0° |
| C06 | C04 | C07 | H20 | 179.1° | 60.0° |
| C06 | C04 | C07 | H21 | 60.9° | 60.0° |
| C04 | C05 | H13 | H14 | 120.0° | 120.0° |
| C04 | C05 | H13 | H15 | 120.0° | 120.0° |
| C04 | C05 | H14 | H15 | 120.0° | 120.0° |
| C05 | C04 | C06 | H16 | 61.9° | 180.0° |
| C05 | C04 | C06 | H17 | 58.0° | 59.9° |
| C05 | C04 | C06 | H18 | 178.0° | 60.0° |
| C05 | C04 | C07 | H19 | 57.4° | 60.0° |
| C05 | C04 | C07 | H20 | 62.7° | 60.0° |
| C05 | C04 | C07 | H21 | 177.3° | 180.0° |
| N40 | N02 | C01 | H10 | 0.0° | 94.9° |
| N40 | N02 | C01 | H11 | 120.0° | 25.1° |
| N40 | N02 | C01 | H12 | 120.0° | 145.0° |
| N02 | C01 | H10 | H11 | 120.0° | 120.0° |
| N02 | C01 | H10 | H12 | 120.0° | 120.0° |
| N02 | C01 | H11 | H12 | 120.0° | 120.0° |
| H2 | C20 | C27 | H24 | 69.0° | 54.9° |
| H2 | C20 | C27 | H25 | 169.4° | 65.1° |
| H2 | C20 | N19 | H34 | 150.3° | 145.0° |
| H3 | C22 | C23 | H4 | 0.2° | 0.0° |
| H4 | C23 | C24 | H23 | 0.6° | 0.1° |
| H5 | C25 | C26 | H6 | 0.1° | 0.1° |
| H5 | C25 | C24 | H23 | 0.7° | 0.1° |
| H7 | C31 | C32 | H9 | 70.1° | 172.6° |
| H8 | C31 | C32 | H9 | 168.0° | 52.1° |
| H9 | C32 | C33 | H26 | 84.0° | 65.2° |
| H9 | C32 | C33 | H27 | 155.2° | 174.9° |
| H10 | C01 | H11 | H12 | 120.0° | 120.0° |
| H13 | C05 | H14 | H15 | 120.0° | 120.1° |
| H16 | C06 | H17 | H18 | 120.0° | 120.1° |
| H19 | C07 | H20 | H21 | 120.0° | 120.0° |
| H26 | C33 | N34 | H35 | 60.4° | 64.0° |
| H26 | C33 | N34 | H36 | 59.6° | 60.0° |
| H27 | C33 | N34 | H35 | 60.4° | 176.1° |
| H27 | C33 | N34 | H36 | 179.6° | 60.0° |
| H28 | C36 | C37 | H30 | 43.2° | 68.0° |
| H28 | C36 | C37 | H31 | 76.7° | 52.5° |
| H29 | C36 | C37 | H30 | 162.4° | 52.1° |
| H29 | C36 | C37 | H31 | 42.5° | 172.6° |
