KXW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C34 | C35 | doub | 1.38Å | 1.40Å | Aromatic |
| C34 | C33 | sing | 1.39Å | 1.39Å | Aromatic |
| C35 | N36 | sing | 1.32Å | 1.32Å | Aromatic |
| C33 | C32 | doub | 1.38Å | 1.39Å | Aromatic |
| N36 | C31 | doub | 1.32Å | 1.32Å | Aromatic |
| C32 | C31 | sing | 1.39Å | 1.40Å | Aromatic |
| C31 | N30 | sing | 1.39Å | 1.47Å | |
| N30 | C29 | sing | 1.46Å | 1.46Å | |
| C29 | C28 | sing | 1.53Å | 1.55Å | |
| C28 | C27 | sing | 1.53Å | 1.57Å | |
| C27 | N19 | sing | 1.47Å | 1.50Å | |
| N19 | C18 | sing | 1.47Å | 1.49Å | |
| N19 | C20 | sing | 1.47Å | 1.51Å | |
| C18 | C17 | sing | 1.53Å | 1.41Å | |
| C21 | C20 | sing | 1.53Å | 1.55Å | |
| C21 | C22 | sing | 1.53Å | 1.54Å | |
| C15 | N14 | doub | 1.30Å | 1.33Å | Aromatic |
| C15 | N06 | sing | 1.36Å | 1.34Å | Aromatic |
| C17 | C02 | sing | 1.54Å | 1.56Å | |
| C17 | O16 | sing | 1.44Å | 1.50Å | |
| N14 | C13 | sing | 1.35Å | 1.35Å | Aromatic |
| C02 | C03 | sing | 1.55Å | 1.25Å | |
| C02 | O01 | sing | 1.43Å | 1.50Å | |
| O25 | C23 | doub | 1.21Å | 1.23Å | |
| N26 | C22 | sing | 1.47Å | 1.43Å | |
| C22 | C23 | sing | 1.51Å | 1.50Å | |
| C23 | O24 | sing | 1.34Å | 1.23Å | |
| O16 | C05 | sing | 1.44Å | 1.26Å | |
| C03 | C05 | sing | 1.55Å | 1.64Å | |
| C03 | O04 | sing | 1.43Å | 1.46Å | |
| N06 | C05 | sing | 1.46Å | 1.43Å | |
| N06 | C07 | sing | 1.37Å | 1.35Å | Aromatic |
| C13 | C07 | doub | 1.40Å | 1.36Å | Aromatic |
| C13 | C11 | sing | 1.41Å | 1.40Å | Aromatic |
| N12 | C11 | sing | 1.38Å | 1.43Å | |
| C07 | N08 | sing | 1.33Å | 1.34Å | Aromatic |
| C11 | N10 | doub | 1.33Å | 1.32Å | Aromatic |
| N08 | C09 | doub | 1.32Å | 1.30Å | Aromatic |
| N10 | C09 | sing | 1.32Å | 1.30Å | Aromatic |
| C02 | H1 | sing | 1.09Å | 1.10Å | |
| C03 | H2 | sing | 1.09Å | 1.10Å | |
| C05 | H3 | sing | 1.09Å | 1.10Å | |
| C09 | H4 | sing | 1.08Å | 1.08Å | |
| C15 | H5 | sing | 1.08Å | 1.08Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C18 | H7 | sing | 1.09Å | 1.10Å | |
| C18 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C21 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C27 | H14 | sing | 1.09Å | 1.10Å | |
| C27 | H15 | sing | 1.09Å | 1.10Å | |
| C28 | H16 | sing | 1.09Å | 1.10Å | |
| C28 | H17 | sing | 1.09Å | 1.10Å | |
| C29 | H18 | sing | 1.09Å | 1.10Å | |
| C29 | H19 | sing | 1.09Å | 1.10Å | |
| C32 | H20 | sing | 1.08Å | 1.08Å | |
| C33 | H21 | sing | 1.08Å | 1.08Å | |
| C34 | H22 | sing | 1.08Å | 1.08Å | |
| C35 | H23 | sing | 1.08Å | 1.08Å | |
| N12 | H24 | sing | 0.97Å | 1.00Å | |
| N12 | H25 | sing | 0.97Å | 1.00Å | |
| N26 | H27 | sing | 1.01Å | 1.00Å | |
| N26 | H28 | sing | 1.01Å | 1.00Å | |
| N30 | H30 | sing | 0.97Å | 1.00Å | |
| O01 | H31 | sing | 0.97Å | 0.95Å | |
| O04 | H32 | sing | 0.97Å | 0.95Å | |
| O24 | H33 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C35 | C34 | C33 | 120.0° | 119.4° |
| C34 | C35 | N36 | 120.0° | 120.8° |
| C35 | C34 | H22 | 120.0° | 120.3° |
| C34 | C35 | H23 | 120.0° | 119.6° |
| C34 | C33 | C32 | 118.5° | 118.5° |
| C34 | C33 | H21 | 120.8° | 120.8° |
| C33 | C34 | H22 | 120.0° | 120.3° |
| C35 | N36 | C31 | 121.3° | 121.7° |
| N36 | C35 | H23 | 120.0° | 119.6° |
| C33 | C32 | C31 | 117.9° | 119.1° |
| C33 | C32 | H20 | 121.0° | 120.5° |
| C32 | C33 | H21 | 120.8° | 120.7° |
| N36 | C31 | C32 | 122.3° | 120.6° |
| N36 | C31 | N30 | 118.8° | 119.8° |
| C32 | C31 | N30 | 118.9° | 119.7° |
| C31 | C32 | H20 | 121.1° | 120.4° |
| C31 | N30 | C29 | 120.8° | 120.1° |
| C31 | N30 | H30 | 106.6° | 120.0° |
| N30 | C29 | C28 | 110.2° | 109.5° |
| N30 | C29 | H18 | 109.3° | 109.5° |
| N30 | C29 | H19 | 109.3° | 109.5° |
| C29 | N30 | H30 | 106.6° | 120.0° |
| C29 | C28 | C27 | 110.7° | 109.4° |
| C29 | C28 | H16 | 109.2° | 109.5° |
| C29 | C28 | H17 | 109.2° | 109.5° |
| C28 | C29 | H18 | 109.3° | 109.5° |
| C28 | C29 | H19 | 109.3° | 109.5° |
| C28 | C27 | N19 | 114.4° | 109.5° |
| C28 | C27 | H14 | 108.2° | 109.5° |
| C28 | C27 | H15 | 108.2° | 109.5° |
| C27 | C28 | H16 | 109.1° | 109.5° |
| C27 | C28 | H17 | 109.2° | 109.4° |
| C27 | N19 | C18 | 110.7° | 111.0° |
| C27 | N19 | C20 | 103.1° | 111.0° |
| N19 | C27 | H14 | 108.2° | 109.4° |
| N19 | C27 | H15 | 108.3° | 109.5° |
| C18 | N19 | C20 | 108.2° | 111.0° |
| N19 | C18 | C17 | 113.4° | 109.5° |
| N19 | C18 | H7 | 108.5° | 109.5° |
| N19 | C18 | H8 | 108.5° | 109.5° |
| N19 | C20 | C21 | 108.9° | 109.5° |
| N19 | C20 | H9 | 109.6° | 109.5° |
| N19 | C20 | H10 | 109.6° | 109.5° |
| C18 | C17 | C02 | 111.0° | 110.4° |
| C18 | C17 | O16 | 109.0° | 110.4° |
| C18 | C17 | H6 | 111.8° | 110.4° |
| C17 | C18 | H7 | 108.5° | 109.5° |
| C17 | C18 | H8 | 108.5° | 109.5° |
| C20 | C21 | C22 | 111.1° | 109.4° |
| C21 | C20 | H9 | 109.6° | 109.5° |
| C21 | C20 | H10 | 109.6° | 109.4° |
| C20 | C21 | H11 | 109.0° | 109.4° |
| C20 | C21 | H12 | 109.0° | 109.5° |
| C21 | C22 | N26 | 109.4° | 109.5° |
| C21 | C22 | C23 | 105.5° | 109.5° |
| C22 | C21 | H11 | 109.1° | 109.4° |
| C22 | C21 | H12 | 109.0° | 109.5° |
| C21 | C22 | H13 | 109.6° | 109.5° |
| N14 | C15 | N06 | 108.2° | 110.0° |
| C15 | N14 | C13 | 108.9° | 109.4° |
| N14 | C15 | H5 | 125.9° | 125.0° |
| C15 | N06 | C05 | 126.8° | 126.3° |
| C15 | N06 | C07 | 108.3° | 107.4° |
| N06 | C15 | H5 | 125.9° | 125.0° |
| C02 | C17 | O16 | 104.9° | 104.8° |
| C17 | C02 | C03 | 104.5° | 104.0° |
| C17 | C02 | O01 | 106.1° | 110.5° |
| C17 | C02 | H1 | 108.3° | 110.6° |
| C02 | C17 | H6 | 109.6° | 110.4° |
| C17 | O16 | C05 | 106.4° | 105.3° |
| O16 | C17 | H6 | 110.4° | 110.4° |
| N14 | C13 | C07 | 106.8° | 107.2° |
| N14 | C13 | C11 | 135.8° | 134.7° |
| C03 | C02 | O01 | 115.3° | 110.5° |
| C02 | C03 | C05 | 105.3° | 104.1° |
| C02 | C03 | O04 | 114.6° | 110.5° |
| C03 | C02 | H1 | 113.1° | 110.5° |
| C02 | C03 | H2 | 111.0° | 110.5° |
| O01 | C02 | H1 | 109.0° | 110.4° |
| C02 | O01 | H31 | 109.5° | 114.0° |
| O25 | C23 | C22 | 119.4° | 120.0° |
| O25 | C23 | O24 | 119.8° | 120.0° |
| N26 | C22 | C23 | 111.0° | 109.4° |
| N26 | C22 | H13 | 111.1° | 109.5° |
| C22 | N26 | H27 | 109.5° | 111.0° |
| C22 | N26 | H28 | 109.5° | 111.0° |
| C22 | C23 | O24 | 120.7° | 120.0° |
| C23 | C22 | H13 | 110.1° | 109.5° |
| C23 | O24 | H33 | 109.5° | 117.0° |
| O16 | C05 | C03 | 104.0° | 104.8° |
| O16 | C05 | N06 | 108.5° | 110.5° |
| O16 | C05 | H3 | 114.0° | 110.4° |
| C05 | C03 | O04 | 111.9° | 110.5° |
| C03 | C05 | N06 | 111.1° | 110.4° |
| C05 | C03 | H2 | 105.9° | 110.5° |
| C03 | C05 | H3 | 108.2° | 110.4° |
| O04 | C03 | H2 | 107.9° | 110.5° |
| C03 | O04 | H32 | 109.5° | 114.0° |
| C05 | N06 | C07 | 124.9° | 126.3° |
| N06 | C05 | H3 | 111.0° | 110.3° |
| N06 | C07 | C13 | 107.7° | 106.0° |
| N06 | C07 | N08 | 132.3° | 134.9° |
| C07 | C13 | C11 | 117.4° | 118.2° |
| C13 | C07 | N08 | 119.9° | 119.1° |
| C13 | C11 | N12 | 122.6° | 120.8° |
| C13 | C11 | N10 | 119.3° | 118.5° |
| N12 | C11 | N10 | 118.2° | 120.7° |
| C11 | N12 | H24 | 109.5° | 120.0° |
| C11 | N12 | H25 | 109.5° | 120.0° |
| C07 | N08 | C09 | 120.5° | 120.7° |
| C11 | N10 | C09 | 121.0° | 121.2° |
| N08 | C09 | N10 | 121.9° | 122.5° |
| N08 | C09 | H4 | 119.0° | 118.8° |
| N10 | C09 | H4 | 119.1° | 118.7° |
| H7 | C18 | H8 | 109.5° | 109.5° |
| H9 | C20 | H10 | 109.5° | 109.5° |
| H11 | C21 | H12 | 109.5° | 109.5° |
| H14 | C27 | H15 | 109.5° | 109.5° |
| H16 | C28 | H17 | 109.5° | 109.5° |
| H18 | C29 | H19 | 109.5° | 109.4° |
| H24 | N12 | H25 | 109.5° | 120.0° |
| H27 | N26 | H28 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C35 | C34 | C33 | H22 | 180.0° | 179.8° |
| C34 | C35 | N36 | H23 | 180.0° | 179.7° |
| C35 | C34 | C33 | C32 | 0.2° | 0.0° |
| C34 | C35 | N36 | C31 | 1.0° | 0.5° |
| C35 | C34 | C33 | H21 | 179.8° | 180.0° |
| C33 | C34 | C35 | N36 | 0.5° | 0.2° |
| C34 | C33 | C32 | H21 | 180.0° | 180.0° |
| C34 | C33 | C32 | C31 | 0.3° | 0.0° |
| C34 | C33 | C32 | H20 | 179.6° | 180.0° |
| C33 | C34 | C35 | H23 | 179.5° | 179.9° |
| C35 | N36 | C31 | C32 | 0.9° | 0.6° |
| C35 | N36 | C31 | N30 | 179.5° | 179.7° |
| N36 | C35 | C34 | H22 | 179.5° | 180.0° |
| C33 | C32 | C31 | N36 | 0.2° | 0.3° |
| C33 | C32 | C31 | H20 | 180.0° | 180.0° |
| C33 | C32 | C31 | N30 | 179.8° | 180.0° |
| C32 | C33 | C34 | H22 | 179.8° | 179.8° |
| N36 | C31 | C32 | N30 | 179.6° | 179.7° |
| N36 | C31 | N30 | C29 | 179.4° | 179.7° |
| N36 | C31 | C32 | H20 | 179.9° | 179.7° |
| C31 | N36 | C35 | H23 | 178.9° | 179.7° |
| N36 | C31 | N30 | H30 | 57.8° | 0.2° |
| C32 | C31 | N30 | C29 | 0.2° | 0.0° |
| C31 | C32 | C33 | H21 | 179.7° | 180.0° |
| C32 | C31 | N30 | H30 | 121.8° | 179.9° |
| C31 | N30 | C29 | H30 | 121.6° | 179.9° |
| C31 | N30 | C29 | C28 | 139.9° | 180.0° |
| C31 | N30 | C29 | H18 | 19.8° | 60.0° |
| C31 | N30 | C29 | H19 | 100.0° | 60.0° |
| N30 | C31 | C32 | H20 | 0.2° | 0.0° |
| N30 | C29 | C28 | H18 | 120.1° | 120.0° |
| N30 | C29 | C28 | H19 | 120.1° | 120.0° |
| N30 | C29 | C28 | C27 | 157.3° | 180.0° |
| N30 | C29 | C28 | H16 | 37.2° | 60.0° |
| N30 | C29 | C28 | H17 | 82.4° | 60.1° |
| N30 | C29 | H18 | H19 | 119.7° | 120.0° |
| C29 | C28 | C27 | H16 | 120.2° | 120.0° |
| C29 | C28 | C27 | H17 | 120.2° | 120.0° |
| C29 | C28 | C27 | N19 | 171.0° | 175.4° |
| C29 | C28 | C27 | H14 | 50.3° | 55.4° |
| C29 | C28 | C27 | H15 | 68.3° | 64.6° |
| C29 | C28 | H16 | H17 | 119.4° | 120.1° |
| C28 | C29 | H18 | H19 | 119.7° | 120.0° |
| C28 | C29 | N30 | H30 | 98.5° | 0.1° |
| C28 | C27 | N19 | H14 | 120.7° | 120.0° |
| C28 | C27 | N19 | H15 | 120.7° | 120.0° |
| C28 | C27 | N19 | C18 | 76.8° | 164.2° |
| C28 | C27 | N19 | C20 | 167.7° | 71.9° |
| C28 | C27 | H14 | H15 | 117.7° | 120.0° |
| C27 | C28 | H16 | H17 | 119.4° | 120.0° |
| C27 | C28 | C29 | H18 | 82.5° | 60.0° |
| C27 | C28 | C29 | H19 | 37.2° | 60.0° |
| C27 | N19 | C18 | C20 | 112.3° | 123.9° |
| C27 | N19 | C18 | C17 | 167.5° | 169.3° |
| C27 | N19 | C20 | C21 | 72.5° | 64.2° |
| C27 | N19 | C18 | H7 | 46.9° | 49.3° |
| C27 | N19 | C18 | H8 | 71.9° | 70.7° |
| C27 | N19 | C20 | H9 | 47.4° | 55.9° |
| C27 | N19 | C20 | H10 | 167.6° | 175.9° |
| N19 | C27 | H14 | H15 | 117.8° | 120.0° |
| N19 | C27 | C28 | H16 | 68.8° | 55.4° |
| N19 | C27 | C28 | H17 | 50.8° | 64.6° |
| N19 | C18 | C17 | H7 | 120.6° | 120.0° |
| N19 | C18 | C17 | H8 | 120.6° | 120.0° |
| C18 | N19 | C20 | C21 | 170.3° | 59.8° |
| N19 | C18 | C17 | C02 | 110.2° | 169.6° |
| N19 | C18 | C17 | O16 | 134.7° | 75.0° |
| N19 | C18 | C17 | H6 | 12.4° | 47.3° |
| N19 | C18 | H7 | H8 | 118.2° | 120.0° |
| C18 | N19 | C20 | H9 | 69.8° | 179.8° |
| C18 | N19 | C20 | H10 | 50.4° | 60.2° |
| C18 | N19 | C27 | H14 | 162.5° | 75.8° |
| C18 | N19 | C27 | H15 | 43.9° | 44.1° |
| C20 | N19 | C18 | C17 | 55.2° | 66.8° |
| N19 | C20 | C21 | H9 | 119.9° | 120.0° |
| N19 | C20 | C21 | H10 | 119.9° | 120.0° |
| N19 | C20 | C21 | C22 | 143.0° | 173.0° |
| C20 | N19 | C18 | H7 | 65.4° | 173.2° |
| C20 | N19 | C18 | H8 | 175.8° | 53.2° |
| N19 | C20 | H9 | H10 | 120.3° | 120.0° |
| N19 | C20 | C21 | H11 | 22.7° | 53.0° |
| N19 | C20 | C21 | H12 | 96.8° | 67.0° |
| C20 | N19 | C27 | H14 | 47.0° | 48.1° |
| C20 | N19 | C27 | H15 | 71.6° | 168.1° |
| C18 | C17 | C02 | O16 | 117.6° | 118.8° |
| C18 | C17 | C02 | H6 | 123.9° | 122.3° |
| C18 | C17 | O16 | H6 | 123.1° | 122.3° |
| C18 | C17 | C02 | C03 | 104.1° | 142.8° |
| C18 | C17 | C02 | O01 | 133.6° | 98.5° |
| C18 | C17 | O16 | C05 | 133.3° | 159.4° |
| C18 | C17 | C02 | H1 | 16.7° | 24.1° |
| C17 | C18 | H7 | H8 | 118.2° | 120.0° |
| C20 | C21 | C22 | H11 | 120.3° | 119.9° |
| C20 | C21 | C22 | H12 | 120.2° | 120.1° |
| C20 | C21 | C22 | N26 | 101.5° | 63.3° |
| C20 | C21 | C22 | C23 | 139.0° | 176.8° |
| C21 | C20 | H9 | H10 | 120.2° | 120.0° |
| C20 | C21 | H11 | H12 | 119.2° | 120.0° |
| C20 | C21 | C22 | H13 | 20.5° | 56.7° |
| C21 | C22 | C23 | O25 | 109.4° | 100.0° |
| C21 | C22 | N26 | C23 | 116.0° | 120.0° |
| C21 | C22 | N26 | H13 | 121.1° | 120.1° |
| C21 | C22 | C23 | H13 | 118.1° | 120.1° |
| C21 | C22 | C23 | O24 | 69.7° | 80.0° |
| C22 | C21 | C20 | H9 | 97.1° | 52.9° |
| C22 | C21 | C20 | H10 | 23.1° | 67.1° |
| C22 | C21 | H11 | H12 | 119.2° | 120.0° |
| C21 | C22 | N26 | H27 | 180.0° | 53.6° |
| C21 | C22 | N26 | H28 | 60.0° | 70.4° |
| N14 | C15 | N06 | H5 | 180.0° | 179.9° |
| N14 | C15 | N06 | C05 | 179.4° | 180.0° |
| N14 | C15 | N06 | C07 | 0.6° | 0.2° |
| C15 | N14 | C13 | C07 | 0.1° | 0.1° |
| C15 | N14 | C13 | C11 | 179.8° | 179.9° |
| N06 | C15 | N14 | C13 | 0.4° | 0.1° |
| C15 | N06 | C05 | O16 | 69.2° | 23.8° |
| C15 | N06 | C05 | C03 | 44.5° | 91.6° |
| C15 | N06 | C05 | C07 | 178.6° | 179.7° |
| C15 | N06 | C07 | C13 | 0.6° | 0.3° |
| C15 | N06 | C07 | N08 | 179.7° | 180.0° |
| C15 | N06 | C05 | H3 | 164.9° | 146.1° |
| C02 | C17 | O16 | H6 | 117.9° | 118.9° |
| C17 | C02 | C03 | O01 | 116.1° | 118.6° |
| C17 | C02 | C03 | H1 | 117.5° | 118.8° |
| C17 | C02 | O01 | H1 | 116.4° | 122.8° |
| C02 | C17 | O16 | C05 | 14.4° | 40.5° |
| C17 | C02 | C03 | C05 | 29.7° | 0.0° |
| C17 | C02 | C03 | O04 | 153.0° | 118.6° |
| C17 | C02 | C03 | H2 | 84.5° | 118.7° |
| C02 | C17 | C18 | H7 | 129.2° | 49.6° |
| C02 | C17 | C18 | H8 | 10.4° | 70.4° |
| C17 | C02 | O01 | H31 | 180.0° | 176.0° |
| O16 | C17 | C02 | C03 | 13.5° | 24.0° |
| O16 | C17 | C02 | O01 | 108.8° | 142.6° |
| C17 | O16 | C05 | C03 | 30.1° | 40.5° |
| C17 | O16 | C05 | N06 | 148.4° | 159.4° |
| O16 | C17 | C02 | H1 | 134.3° | 94.7° |
| C17 | O16 | C05 | H3 | 87.4° | 78.3° |
| O16 | C17 | C18 | H7 | 14.2° | 165.0° |
| O16 | C17 | C18 | H8 | 104.7° | 45.0° |
| N14 | C13 | C07 | N06 | 0.3° | 0.2° |
| N14 | C13 | C07 | C11 | 179.8° | 180.0° |
| N14 | C13 | C11 | N12 | 0.2° | 0.0° |
| N14 | C13 | C07 | N08 | 179.9° | 180.0° |
| N14 | C13 | C11 | N10 | 180.0° | 180.0° |
| C13 | N14 | C15 | H5 | 179.6° | 180.0° |
| C03 | C02 | O01 | H1 | 128.4° | 122.6° |
| C02 | C03 | C05 | O16 | 41.7° | 24.0° |
| C02 | C03 | C05 | O04 | 125.1° | 118.7° |
| C02 | C03 | C05 | H2 | 117.7° | 118.7° |
| C02 | C03 | O04 | H2 | 124.2° | 122.7° |
| C02 | C03 | C05 | N06 | 158.2° | 142.9° |
| C02 | C03 | C05 | H3 | 79.8° | 94.9° |
| C03 | C02 | C17 | H6 | 132.0° | 94.9° |
| C03 | C02 | O01 | H31 | 64.8° | 61.4° |
| C02 | C03 | O04 | H32 | 180.0° | 61.4° |
| O01 | C02 | C03 | C05 | 86.5° | 118.6° |
| O01 | C02 | C03 | O04 | 36.9° | 0.0° |
| O01 | C02 | C03 | H2 | 159.4° | 122.7° |
| O01 | C02 | C17 | H6 | 9.7° | 23.7° |
| O25 | C23 | C22 | N26 | 9.0° | 20.0° |
| O25 | C23 | C22 | O24 | 179.1° | 180.0° |
| O25 | C23 | C22 | H13 | 132.5° | 140.0° |
| O25 | C23 | O24 | H33 | 0.0° | 0.0° |
| N26 | C22 | C23 | H13 | 123.5° | 120.0° |
| N26 | C22 | C23 | O24 | 171.9° | 160.0° |
| N26 | C22 | C21 | H11 | 138.2° | 176.8° |
| N26 | C22 | C21 | H12 | 18.7° | 56.8° |
| C22 | N26 | H27 | H28 | 120.0° | 123.9° |
| C23 | C22 | C21 | H11 | 18.7° | 56.9° |
| C23 | C22 | C21 | H12 | 100.8° | 63.2° |
| C23 | C22 | N26 | H27 | 64.0° | 66.3° |
| C23 | C22 | N26 | H28 | 56.0° | 169.7° |
| C22 | C23 | O24 | H33 | 179.1° | 180.0° |
| O24 | C23 | C22 | H13 | 48.5° | 40.0° |
| O16 | C05 | C03 | N06 | 116.5° | 118.9° |
| O16 | C05 | C03 | H3 | 121.5° | 118.8° |
| O16 | C05 | C03 | O04 | 166.8° | 142.6° |
| O16 | C05 | N06 | H3 | 125.9° | 122.3° |
| O16 | C05 | N06 | C07 | 109.3° | 156.5° |
| O16 | C05 | C03 | H2 | 76.0° | 94.7° |
| C05 | O16 | C17 | H6 | 103.6° | 78.4° |
| C05 | C03 | O04 | H2 | 116.1° | 122.7° |
| C03 | C05 | N06 | H3 | 120.4° | 122.2° |
| C03 | C05 | N06 | C07 | 137.0° | 88.1° |
| C05 | C03 | C02 | H1 | 147.2° | 118.8° |
| C05 | C03 | O04 | H32 | 60.3° | 176.1° |
| O04 | C03 | C05 | N06 | 76.7° | 98.4° |
| O04 | C03 | C02 | H1 | 89.4° | 122.6° |
| O04 | C03 | C05 | H3 | 45.3° | 23.8° |
| C05 | N06 | C07 | C13 | 179.4° | 179.9° |
| C05 | N06 | C07 | N08 | 0.9° | 0.3° |
| N06 | C05 | C03 | H2 | 40.6° | 24.3° |
| C05 | N06 | C15 | H5 | 0.6° | 0.1° |
| N06 | C07 | C13 | N08 | 179.8° | 179.7° |
| N06 | C07 | C13 | C11 | 179.5° | 179.8° |
| N06 | C07 | N08 | C09 | 179.8° | 179.7° |
| C07 | N06 | C05 | H3 | 16.6° | 34.1° |
| C07 | N06 | C15 | H5 | 179.4° | 179.9° |
| C07 | C13 | C11 | N12 | 179.9° | 180.0° |
| C07 | C13 | C11 | N10 | 0.3° | 0.1° |
| C13 | C07 | N08 | C09 | 0.1° | 0.0° |
| C13 | C11 | N12 | N10 | 179.8° | 179.9° |
| C11 | C13 | C07 | N08 | 0.3° | 0.1° |
| C13 | C11 | N10 | C09 | 0.0° | 0.1° |
| C13 | C11 | N12 | H24 | 179.8° | 180.0° |
| C13 | C11 | N12 | H25 | 59.8° | 0.0° |
| N12 | C11 | N10 | C09 | 179.8° | 180.0° |
| C11 | N12 | H24 | H25 | 120.0° | 180.0° |
| C07 | N08 | C09 | N10 | 0.4° | 0.0° |
| C07 | N08 | C09 | H4 | 179.5° | 180.0° |
| C11 | N10 | C09 | N08 | 0.4° | 0.1° |
| C11 | N10 | C09 | H4 | 179.5° | 180.0° |
| N10 | C11 | N12 | H24 | 0.0° | 0.0° |
| N10 | C11 | N12 | H25 | 120.0° | 180.0° |
| N08 | C09 | N10 | H4 | 180.0° | 179.9° |
| H1 | C02 | C03 | H2 | 33.1° | 0.1° |
| H1 | C02 | C17 | H6 | 107.2° | 146.4° |
| H1 | C02 | O01 | H31 | 63.6° | 61.2° |
| H2 | C03 | C05 | H3 | 162.6° | 146.5° |
| H2 | C03 | O04 | H32 | 55.8° | 61.3° |
| H6 | C17 | C18 | H7 | 108.1° | 72.7° |
| H6 | C17 | C18 | H8 | 133.0° | 167.3° |
| H9 | C20 | C21 | H11 | 142.7° | 67.0° |
| H9 | C20 | C21 | H12 | 23.2° | 172.9° |
| H10 | C20 | C21 | H11 | 97.2° | 173.0° |
| H10 | C20 | C21 | H12 | 143.3° | 52.9° |
| H11 | C21 | C22 | H13 | 99.8° | 63.2° |
| H12 | C21 | C22 | H13 | 140.7° | 176.8° |
| H13 | C22 | N26 | H27 | 58.9° | 173.7° |
| H13 | C22 | N26 | H28 | 178.9° | 49.7° |
| H14 | C27 | C28 | H16 | 170.5° | 64.6° |
| H14 | C27 | C28 | H17 | 69.9° | 175.4° |
| H15 | C27 | C28 | H16 | 51.9° | 175.4° |
| H15 | C27 | C28 | H17 | 171.5° | 55.4° |
| H16 | C28 | C29 | H18 | 157.3° | 180.0° |
| H16 | C28 | C29 | H19 | 82.9° | 60.0° |
| H17 | C28 | C29 | H18 | 37.7° | 60.0° |
| H17 | C28 | C29 | H19 | 157.5° | 179.9° |
| H18 | C29 | N30 | H30 | 141.4° | 120.0° |
| H19 | C29 | N30 | H30 | 21.6° | 120.1° |
| H20 | C32 | C33 | H21 | 0.4° | 0.0° |
| H21 | C33 | C34 | H22 | 0.2° | 0.2° |
| H22 | C34 | C35 | H23 | 0.5° | 0.2° |
