1KD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C32 | C31 | doub | 1.38Å | 1.41Å | Aromatic |
| C32 | C33 | sing | 1.38Å | 1.39Å | Aromatic |
| C31 | C30 | sing | 1.38Å | 1.40Å | Aromatic |
| C33 | C28 | doub | 1.40Å | 1.40Å | Aromatic |
| C30 | C29 | doub | 1.38Å | 1.40Å | Aromatic |
| C28 | C29 | sing | 1.39Å | 1.40Å | Aromatic |
| C28 | N27 | sing | 1.40Å | 1.50Å | |
| C37 | S34 | sing | 1.81Å | 1.81Å | |
| C29 | C23 | sing | 1.51Å | 1.53Å | |
| N27 | S34 | sing | 1.66Å | 1.70Å | |
| N27 | C26 | sing | 1.47Å | 1.44Å | |
| O35 | S34 | doub | 1.42Å | 1.46Å | |
| S34 | O36 | doub | 1.42Å | 1.46Å | |
| C23 | C22 | sing | 1.53Å | 1.47Å | |
| C23 | C26 | sing | 1.53Å | 1.49Å | |
| C23 | C24 | sing | 1.53Å | 1.48Å | |
| C22 | C21 | sing | 1.53Å | 1.52Å | |
| C21 | N20 | sing | 1.47Å | 1.49Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C16 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| N20 | C25 | sing | 1.47Å | 1.49Å | |
| N20 | C02 | sing | 1.35Å | 1.45Å | |
| O01 | C02 | doub | 1.21Å | 1.18Å | |
| C17 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C02 | C03 | sing | 1.51Å | 1.52Å | |
| C18 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.51Å | 1.52Å | |
| C03 | C11 | sing | 1.53Å | 1.52Å | |
| C03 | N04 | sing | 1.47Å | 1.44Å | |
| C11 | O12 | sing | 1.43Å | 1.39Å | |
| C13 | O12 | sing | 1.43Å | 1.40Å | |
| N04 | C05 | sing | 1.35Å | 1.45Å | |
| O06 | C05 | doub | 1.21Å | 1.18Å | |
| C05 | C07 | sing | 1.51Å | 1.52Å | |
| N08 | C07 | sing | 1.47Å | 1.45Å | |
| C07 | C10 | sing | 1.53Å | 1.53Å | |
| C07 | C09 | sing | 1.53Å | 1.53Å | |
| C26 | H1 | sing | 1.09Å | 1.10Å | |
| C26 | H2 | sing | 1.09Å | 1.10Å | |
| C25 | H3 | sing | 1.09Å | 1.10Å | |
| C25 | H4 | sing | 1.09Å | 1.10Å | |
| C24 | H5 | sing | 1.09Å | 1.10Å | |
| C24 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.08Å | 1.08Å | |
| C18 | H13 | sing | 1.08Å | 1.08Å | |
| C16 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.08Å | 1.08Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C03 | H23 | sing | 1.09Å | 1.10Å | |
| C09 | H24 | sing | 1.09Å | 1.10Å | |
| C09 | H25 | sing | 1.09Å | 1.10Å | |
| C09 | H26 | sing | 1.09Å | 1.10Å | |
| C30 | H27 | sing | 1.08Å | 1.08Å | |
| C31 | H28 | sing | 1.08Å | 1.08Å | |
| C32 | H29 | sing | 1.08Å | 1.08Å | |
| C33 | H30 | sing | 1.08Å | 1.08Å | |
| C37 | H31 | sing | 1.09Å | 1.10Å | |
| C37 | H32 | sing | 1.09Å | 1.10Å | |
| C37 | H33 | sing | 1.09Å | 1.10Å | |
| N04 | H34 | sing | 0.97Å | 1.00Å | |
| N08 | H35 | sing | 1.01Å | 1.00Å | |
| N08 | H36 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C31 | C32 | C33 | 119.7° | 120.2° |
| C32 | C31 | C30 | 120.2° | 119.8° |
| C32 | C31 | H28 | 119.9° | 120.1° |
| C31 | C32 | H29 | 120.1° | 119.9° |
| C32 | C33 | C28 | 120.3° | 120.3° |
| C33 | C32 | H29 | 120.2° | 119.9° |
| C32 | C33 | H30 | 119.8° | 119.8° |
| C31 | C30 | C29 | 119.9° | 120.2° |
| C31 | C30 | H27 | 120.0° | 119.9° |
| C30 | C31 | H28 | 119.9° | 120.1° |
| C33 | C28 | C29 | 119.9° | 119.0° |
| C33 | C28 | N27 | 131.9° | 129.3° |
| C28 | C33 | H30 | 119.8° | 119.9° |
| C30 | C29 | C28 | 119.9° | 120.4° |
| C30 | C29 | C23 | 132.1° | 131.2° |
| C29 | C30 | H27 | 120.1° | 119.9° |
| C29 | C28 | N27 | 108.2° | 111.6° |
| C28 | C29 | C23 | 108.0° | 108.4° |
| C28 | N27 | S34 | 125.0° | 125.0° |
| C28 | N27 | C26 | 107.9° | 110.1° |
| C37 | S34 | N27 | 110.8° | 104.4° |
| C37 | S34 | O35 | 111.1° | 110.5° |
| C37 | S34 | O36 | 111.7° | 110.6° |
| S34 | C37 | H31 | 109.5° | 109.5° |
| S34 | C37 | H32 | 109.5° | 109.4° |
| S34 | C37 | H33 | 109.5° | 109.5° |
| C29 | C23 | C22 | 100.6° | 110.4° |
| C29 | C23 | C26 | 105.2° | 104.9° |
| C29 | C23 | C24 | 115.5° | 110.4° |
| S34 | N27 | C26 | 123.8° | 125.0° |
| N27 | S34 | O35 | 111.1° | 104.3° |
| N27 | S34 | O36 | 110.5° | 104.3° |
| N27 | C26 | C23 | 105.8° | 105.1° |
| N27 | C26 | H1 | 110.4° | 110.3° |
| N27 | C26 | H2 | 110.4° | 110.4° |
| O35 | S34 | O36 | 101.3° | 121.1° |
| C22 | C23 | C26 | 131.1° | 110.2° |
| C22 | C23 | C24 | 112.6° | 110.6° |
| C23 | C22 | C21 | 111.0° | 109.4° |
| C23 | C22 | H21 | 109.1° | 109.5° |
| C23 | C22 | H22 | 109.1° | 109.4° |
| C26 | C23 | C24 | 92.7° | 110.2° |
| C23 | C26 | H1 | 110.4° | 110.3° |
| C23 | C26 | H2 | 110.4° | 110.3° |
| C23 | C24 | C25 | 113.7° | 109.4° |
| C23 | C24 | H5 | 108.4° | 109.5° |
| C23 | C24 | H6 | 108.4° | 109.5° |
| C22 | C21 | N20 | 111.3° | 108.7° |
| C22 | C21 | H19 | 109.0° | 109.6° |
| C22 | C21 | H20 | 109.0° | 109.7° |
| C21 | C22 | H21 | 109.1° | 109.5° |
| C21 | C22 | H22 | 109.1° | 109.5° |
| C21 | N20 | C25 | 111.4° | 118.8° |
| C21 | N20 | C02 | 123.7° | 120.6° |
| N20 | C21 | H19 | 109.0° | 109.6° |
| N20 | C21 | H20 | 109.0° | 109.6° |
| C24 | C25 | N20 | 113.1° | 108.8° |
| C24 | C25 | H3 | 108.6° | 109.6° |
| C24 | C25 | H4 | 108.6° | 109.6° |
| C25 | C24 | H5 | 108.4° | 109.5° |
| C25 | C24 | H6 | 108.4° | 109.5° |
| C17 | C16 | C15 | 119.6° | 120.0° |
| C16 | C17 | C18 | 120.6° | 120.0° |
| C16 | C17 | H12 | 119.7° | 120.0° |
| C17 | C16 | H14 | 120.2° | 120.0° |
| C16 | C15 | C14 | 119.6° | 120.0° |
| C15 | C16 | H14 | 120.2° | 120.0° |
| C16 | C15 | H15 | 120.2° | 120.0° |
| C25 | N20 | C02 | 124.9° | 120.6° |
| N20 | C25 | H3 | 108.5° | 109.6° |
| N20 | C25 | H4 | 108.5° | 109.7° |
| N20 | C02 | O01 | 119.8° | 120.0° |
| N20 | C02 | C03 | 120.7° | 120.0° |
| O01 | C02 | C03 | 119.5° | 120.0° |
| C17 | C18 | C19 | 119.9° | 120.0° |
| C18 | C17 | H12 | 119.7° | 120.0° |
| C17 | C18 | H13 | 120.1° | 120.0° |
| C15 | C14 | C19 | 120.9° | 120.0° |
| C15 | C14 | C13 | 119.6° | 120.0° |
| C14 | C15 | H15 | 120.2° | 120.0° |
| C02 | C03 | C11 | 106.9° | 109.5° |
| C02 | C03 | N04 | 109.0° | 109.5° |
| C02 | C03 | H23 | 110.7° | 109.5° |
| C18 | C19 | C14 | 119.4° | 120.0° |
| C19 | C18 | H13 | 120.1° | 120.0° |
| C18 | C19 | H18 | 120.3° | 120.0° |
| C19 | C14 | C13 | 119.5° | 120.0° |
| C14 | C19 | H18 | 120.3° | 120.0° |
| C14 | C13 | O12 | 108.7° | 109.5° |
| C14 | C13 | H16 | 109.7° | 109.4° |
| C14 | C13 | H17 | 109.7° | 109.5° |
| C11 | C03 | N04 | 107.3° | 109.5° |
| C03 | C11 | O12 | 109.3° | 109.5° |
| C03 | C11 | H7 | 109.5° | 109.5° |
| C03 | C11 | H8 | 109.5° | 109.5° |
| C11 | C03 | H23 | 110.8° | 109.5° |
| C03 | N04 | C05 | 121.6° | 120.0° |
| N04 | C03 | H23 | 111.9° | 109.5° |
| C03 | N04 | H34 | 119.2° | 120.0° |
| C11 | O12 | C13 | 112.0° | 114.0° |
| O12 | C11 | H7 | 109.5° | 109.5° |
| O12 | C11 | H8 | 109.5° | 109.4° |
| O12 | C13 | H16 | 109.7° | 109.5° |
| O12 | C13 | H17 | 109.7° | 109.5° |
| N04 | C05 | O06 | 120.7° | 120.0° |
| N04 | C05 | C07 | 118.6° | 120.0° |
| C05 | N04 | H34 | 119.2° | 120.0° |
| O06 | C05 | C07 | 120.7° | 120.0° |
| C05 | C07 | N08 | 108.5° | 109.5° |
| C05 | C07 | C10 | 109.3° | 109.4° |
| C05 | C07 | C09 | 109.8° | 109.5° |
| N08 | C07 | C10 | 110.3° | 109.5° |
| N08 | C07 | C09 | 109.3° | 109.5° |
| C07 | N08 | H35 | 109.5° | 111.0° |
| C07 | N08 | H36 | 109.5° | 110.9° |
| C10 | C07 | C09 | 109.6° | 109.5° |
| C07 | C10 | H9 | 109.5° | 109.5° |
| C07 | C10 | H10 | 109.5° | 109.5° |
| C07 | C10 | H11 | 109.5° | 109.5° |
| C07 | C09 | H24 | 109.5° | 109.4° |
| C07 | C09 | H25 | 109.5° | 109.4° |
| C07 | C09 | H26 | 109.5° | 109.4° |
| H1 | C26 | H2 | 109.5° | 110.4° |
| H3 | C25 | H4 | 109.4° | 109.5° |
| H5 | C24 | H6 | 109.5° | 109.5° |
| H7 | C11 | H8 | 109.5° | 109.5° |
| H9 | C10 | H10 | 109.5° | 109.5° |
| H9 | C10 | H11 | 109.4° | 109.5° |
| H10 | C10 | H11 | 109.5° | 109.4° |
| H16 | C13 | H17 | 109.5° | 109.4° |
| H19 | C21 | H20 | 109.5° | 109.6° |
| H21 | C22 | H22 | 109.4° | 109.5° |
| H24 | C09 | H25 | 109.5° | 109.5° |
| H24 | C09 | H26 | 109.5° | 109.5° |
| H25 | C09 | H26 | 109.5° | 109.5° |
| H31 | C37 | H32 | 109.5° | 109.5° |
| H31 | C37 | H33 | 109.5° | 109.5° |
| H32 | C37 | H33 | 109.5° | 109.5° |
| H35 | N08 | H36 | 109.5° | 111.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C31 | C32 | C33 | H29 | 180.0° | 179.7° |
| C32 | C31 | C30 | H28 | 180.0° | 179.9° |
| C31 | C32 | C33 | C28 | 0.1° | 0.5° |
| C32 | C31 | C30 | C29 | 0.0° | 0.1° |
| C32 | C31 | C30 | H27 | 180.0° | 180.0° |
| C31 | C32 | C33 | H30 | 179.9° | 180.0° |
| C33 | C32 | C31 | C30 | 0.1° | 0.2° |
| C32 | C33 | C28 | H30 | 180.0° | 179.5° |
| C32 | C33 | C28 | C29 | 0.1° | 0.5° |
| C32 | C33 | C28 | N27 | 179.7° | 179.8° |
| C33 | C32 | C31 | H28 | 179.9° | 179.7° |
| C31 | C30 | C29 | H27 | 180.0° | 179.9° |
| C31 | C30 | C29 | C28 | 0.0° | 0.1° |
| C31 | C30 | C29 | C23 | 179.9° | 179.9° |
| C30 | C31 | C32 | H29 | 179.9° | 180.0° |
| C33 | C28 | C29 | C30 | 0.0° | 0.4° |
| C33 | C28 | C29 | N27 | 179.7° | 179.7° |
| C33 | C28 | C29 | C23 | 179.9° | 179.6° |
| C33 | C28 | N27 | S34 | 33.7° | 0.3° |
| C33 | C28 | N27 | C26 | 166.2° | 179.7° |
| C28 | C33 | C32 | H29 | 179.9° | 179.8° |
| C30 | C29 | C28 | C23 | 179.9° | 180.0° |
| C30 | C29 | C28 | N27 | 179.7° | 179.9° |
| C30 | C29 | C23 | C22 | 55.1° | 61.4° |
| C30 | C29 | C23 | C26 | 167.0° | 179.9° |
| C30 | C29 | C23 | C24 | 66.4° | 61.2° |
| C29 | C30 | C31 | H28 | 180.0° | 179.9° |
| C29 | C28 | N27 | S34 | 145.9° | 180.0° |
| C29 | C28 | N27 | C26 | 14.2° | 0.0° |
| C28 | C29 | C23 | C22 | 124.8° | 118.6° |
| C28 | C29 | C23 | C26 | 13.2° | 0.1° |
| C28 | C29 | C23 | C24 | 113.7° | 118.8° |
| C28 | C29 | C30 | H27 | 180.0° | 180.0° |
| C29 | C28 | C33 | H30 | 179.9° | 180.0° |
| C28 | N27 | S34 | C37 | 53.4° | 90.0° |
| N27 | C28 | C29 | C23 | 0.2° | 0.1° |
| C28 | N27 | S34 | C26 | 157.0° | 180.0° |
| C28 | N27 | S34 | O35 | 70.6° | 26.0° |
| C28 | N27 | S34 | O36 | 177.8° | 153.9° |
| C28 | N27 | C26 | C23 | 22.2° | 0.1° |
| C28 | N27 | C26 | H1 | 141.6° | 118.8° |
| C28 | N27 | C26 | H2 | 97.2° | 119.0° |
| N27 | C28 | C33 | H30 | 0.3° | 0.4° |
| C37 | S34 | N27 | O35 | 124.0° | 116.0° |
| C37 | S34 | N27 | O36 | 124.4° | 116.1° |
| C37 | S34 | N27 | C26 | 149.6° | 90.0° |
| C37 | S34 | O35 | O36 | 118.8° | 131.6° |
| S34 | C37 | H31 | H32 | 120.0° | 119.9° |
| S34 | C37 | H31 | H33 | 120.0° | 120.0° |
| S34 | C37 | H32 | H33 | 120.0° | 120.0° |
| C29 | C23 | C26 | N27 | 21.6° | 0.1° |
| C29 | C23 | C22 | C26 | 121.1° | 115.4° |
| C29 | C23 | C22 | C24 | 123.5° | 122.5° |
| C29 | C23 | C26 | C24 | 117.4° | 118.8° |
| C29 | C23 | C22 | C21 | 93.3° | 177.2° |
| C29 | C23 | C24 | C25 | 142.6° | 177.3° |
| C29 | C23 | C26 | H1 | 141.0° | 118.8° |
| C29 | C23 | C26 | H2 | 97.8° | 119.1° |
| C29 | C23 | C24 | H5 | 96.7° | 62.7° |
| C29 | C23 | C24 | H6 | 22.0° | 57.3° |
| C29 | C23 | C22 | H21 | 26.9° | 62.7° |
| C29 | C23 | C22 | H22 | 146.5° | 57.3° |
| C23 | C29 | C30 | H27 | 0.1° | 0.0° |
| N27 | S34 | O35 | O36 | 117.4° | 116.8° |
| S34 | N27 | C26 | C23 | 138.2° | 179.9° |
| S34 | N27 | C26 | H1 | 18.8° | 61.2° |
| S34 | N27 | C26 | H2 | 102.4° | 61.0° |
| N27 | S34 | C37 | H31 | 180.0° | 60.0° |
| N27 | S34 | C37 | H32 | 60.0° | 180.0° |
| N27 | S34 | C37 | H33 | 60.0° | 60.0° |
| C26 | N27 | S34 | O35 | 86.4° | 153.9° |
| C26 | N27 | S34 | O36 | 25.2° | 26.0° |
| N27 | C26 | C23 | C22 | 97.7° | 118.7° |
| N27 | C26 | C23 | H1 | 119.4° | 118.8° |
| N27 | C26 | C23 | H2 | 119.4° | 119.0° |
| N27 | C26 | C23 | C24 | 138.9° | 118.9° |
| N27 | C26 | H1 | H2 | 121.7° | 122.3° |
| O35 | S34 | C37 | H31 | 56.0° | 171.6° |
| O35 | S34 | C37 | H32 | 64.0° | 68.4° |
| O35 | S34 | C37 | H33 | 176.0° | 51.6° |
| O36 | S34 | C37 | H31 | 56.3° | 51.6° |
| O36 | S34 | C37 | H32 | 176.3° | 68.4° |
| O36 | S34 | C37 | H33 | 63.7° | 171.6° |
| C22 | C23 | C26 | C24 | 123.4° | 122.4° |
| C23 | C22 | C21 | H21 | 120.2° | 120.0° |
| C23 | C22 | C21 | H22 | 120.3° | 119.9° |
| C23 | C22 | C21 | N20 | 66.5° | 54.0° |
| C22 | C23 | C24 | C25 | 27.9° | 60.2° |
| C22 | C23 | C26 | H1 | 21.7° | 122.5° |
| C22 | C23 | C26 | H2 | 142.9° | 0.3° |
| C22 | C23 | C24 | H5 | 148.5° | 59.7° |
| C22 | C23 | C24 | H6 | 92.7° | 179.8° |
| C23 | C22 | C21 | H19 | 53.7° | 173.8° |
| C23 | C22 | C21 | H20 | 173.2° | 65.8° |
| C23 | C22 | H21 | H22 | 119.3° | 120.0° |
| C26 | C23 | C22 | C21 | 145.7° | 61.9° |
| C26 | C23 | C24 | C25 | 109.2° | 61.9° |
| C23 | C26 | H1 | H2 | 121.7° | 122.1° |
| C26 | C23 | C24 | H5 | 11.5° | 178.1° |
| C26 | C23 | C24 | H6 | 130.2° | 58.1° |
| C26 | C23 | C22 | H21 | 94.1° | 178.1° |
| C26 | C23 | C22 | H22 | 25.4° | 58.1° |
| C24 | C23 | C22 | C21 | 30.2° | 60.3° |
| C23 | C24 | C25 | H5 | 120.6° | 119.9° |
| C23 | C24 | C25 | H6 | 120.6° | 120.0° |
| C23 | C24 | C25 | N20 | 56.6° | 53.9° |
| C24 | C23 | C26 | H1 | 101.7° | 0.1° |
| C24 | C23 | C26 | H2 | 19.5° | 122.1° |
| C23 | C24 | C25 | H3 | 64.0° | 65.9° |
| C23 | C24 | C25 | H4 | 177.1° | 173.9° |
| C23 | C24 | H5 | H6 | 118.1° | 120.1° |
| C24 | C23 | C22 | H21 | 150.4° | 59.7° |
| C24 | C23 | C22 | H22 | 90.0° | 179.8° |
| C22 | C21 | N20 | H19 | 120.3° | 119.8° |
| C22 | C21 | N20 | H20 | 120.2° | 119.9° |
| C22 | C21 | N20 | C25 | 37.2° | 54.0° |
| C22 | C21 | N20 | C02 | 143.5° | 125.9° |
| C22 | C21 | H19 | H20 | 119.1° | 120.5° |
| C21 | C22 | H21 | H22 | 119.3° | 120.1° |
| C21 | N20 | C25 | C24 | 20.5° | 54.0° |
| C21 | N20 | C25 | C02 | 179.3° | 179.9° |
| C21 | N20 | C02 | O01 | 0.5° | 0.0° |
| C21 | N20 | C02 | C03 | 179.8° | 180.0° |
| C21 | N20 | C25 | H3 | 100.0° | 65.8° |
| C21 | N20 | C25 | H4 | 141.1° | 173.9° |
| N20 | C21 | H19 | H20 | 119.2° | 120.3° |
| N20 | C21 | C22 | H21 | 173.2° | 66.0° |
| N20 | C21 | C22 | H22 | 53.7° | 173.9° |
| C24 | C25 | N20 | H3 | 120.6° | 119.8° |
| C24 | C25 | N20 | H4 | 120.6° | 119.9° |
| C24 | C25 | N20 | C02 | 158.7° | 125.9° |
| C24 | C25 | H3 | H4 | 118.3° | 120.3° |
| C25 | C24 | H5 | H6 | 118.0° | 120.0° |
| C17 | C16 | C15 | H14 | 180.0° | 179.9° |
| C16 | C17 | C18 | H12 | 180.0° | 179.6° |
| C17 | C16 | C15 | C14 | 0.0° | 0.1° |
| C16 | C17 | C18 | C19 | 0.1° | 0.4° |
| C16 | C17 | C18 | H13 | 180.0° | 179.7° |
| C17 | C16 | C15 | H15 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.0° | 0.1° |
| C16 | C15 | C14 | H15 | 180.0° | 179.9° |
| C16 | C15 | C14 | C19 | 0.1° | 0.3° |
| C16 | C15 | C14 | C13 | 179.8° | 180.0° |
| C15 | C16 | C17 | H12 | 180.0° | 179.7° |
| C25 | N20 | C02 | O01 | 179.7° | 180.0° |
| C25 | N20 | C02 | C03 | 0.6° | 0.1° |
| N20 | C25 | H3 | H4 | 118.3° | 120.4° |
| N20 | C25 | C24 | H5 | 177.2° | 66.1° |
| N20 | C25 | C24 | H6 | 64.1° | 173.9° |
| C25 | N20 | C21 | H19 | 83.1° | 173.8° |
| C25 | N20 | C21 | H20 | 157.5° | 65.9° |
| N20 | C02 | O01 | C03 | 179.8° | 180.0° |
| N20 | C02 | C03 | C11 | 163.7° | 80.0° |
| N20 | C02 | C03 | N04 | 80.6° | 160.0° |
| C02 | N20 | C25 | H3 | 80.7° | 114.2° |
| C02 | N20 | C25 | H4 | 38.2° | 6.0° |
| C02 | N20 | C21 | H19 | 96.2° | 6.1° |
| C02 | N20 | C21 | H20 | 23.2° | 114.2° |
| N20 | C02 | C03 | H23 | 42.9° | 40.0° |
| O01 | C02 | C03 | C11 | 16.6° | 100.0° |
| O01 | C02 | C03 | N04 | 99.1° | 20.0° |
| O01 | C02 | C03 | H23 | 137.3° | 140.0° |
| C17 | C18 | C19 | H13 | 180.0° | 179.9° |
| C17 | C18 | C19 | C14 | 0.1° | 0.7° |
| C18 | C17 | C16 | H14 | 180.0° | 179.9° |
| C17 | C18 | C19 | H18 | 179.9° | 179.9° |
| C15 | C14 | C19 | C18 | 0.2° | 0.6° |
| C15 | C14 | C19 | C13 | 179.9° | 179.6° |
| C15 | C14 | C13 | O12 | 68.9° | 90.0° |
| C14 | C15 | C16 | H14 | 180.0° | 180.0° |
| C15 | C14 | C13 | H16 | 171.2° | 150.0° |
| C15 | C14 | C13 | H17 | 50.9° | 30.1° |
| C15 | C14 | C19 | H18 | 179.8° | 180.0° |
| C02 | C03 | C11 | N04 | 116.8° | 120.0° |
| C02 | C03 | C11 | H23 | 120.7° | 120.0° |
| C02 | C03 | N04 | H23 | 122.9° | 120.0° |
| C02 | C03 | C11 | O12 | 153.3° | 175.0° |
| C02 | C03 | N04 | C05 | 134.8° | 60.0° |
| C02 | C03 | C11 | H7 | 33.4° | 55.0° |
| C02 | C03 | C11 | H8 | 86.7° | 65.0° |
| C02 | C03 | N04 | H34 | 45.2° | 120.0° |
| C18 | C19 | C14 | H18 | 180.0° | 179.4° |
| C18 | C19 | C14 | C13 | 179.7° | 179.7° |
| C19 | C18 | C17 | H12 | 180.0° | 180.0° |
| C19 | C14 | C13 | O12 | 110.9° | 89.7° |
| C14 | C19 | C18 | H13 | 179.9° | 179.5° |
| C19 | C14 | C15 | H15 | 179.9° | 179.8° |
| C19 | C14 | C13 | H16 | 8.9° | 30.4° |
| C19 | C14 | C13 | H17 | 129.2° | 150.3° |
| C14 | C13 | O12 | C11 | 115.1° | 180.0° |
| C14 | C13 | O12 | H16 | 119.9° | 120.0° |
| C14 | C13 | O12 | H17 | 119.9° | 120.1° |
| C13 | C14 | C15 | H15 | 0.2° | 0.1° |
| C14 | C13 | H16 | H17 | 120.4° | 120.0° |
| C13 | C14 | C19 | H18 | 0.3° | 0.3° |
| C11 | C03 | N04 | H23 | 121.7° | 120.0° |
| C03 | C11 | O12 | H7 | 120.0° | 120.0° |
| C03 | C11 | O12 | H8 | 120.0° | 120.0° |
| C03 | C11 | O12 | C13 | 150.4° | 180.0° |
| C11 | C03 | N04 | C05 | 109.8° | 60.0° |
| C03 | C11 | H7 | H8 | 120.1° | 120.0° |
| C11 | C03 | N04 | H34 | 70.2° | 120.0° |
| N04 | C03 | C11 | O12 | 89.8° | 65.0° |
| C03 | N04 | C05 | H34 | 180.0° | 179.9° |
| C03 | N04 | C05 | O06 | 0.8° | 0.0° |
| C03 | N04 | C05 | C07 | 179.5° | 180.0° |
| N04 | C03 | C11 | H7 | 150.2° | 175.0° |
| N04 | C03 | C11 | H8 | 30.1° | 55.0° |
| O12 | C11 | H7 | H8 | 120.1° | 120.0° |
| C11 | O12 | C13 | H16 | 125.0° | 60.0° |
| C11 | O12 | C13 | H17 | 4.8° | 59.9° |
| O12 | C11 | C03 | H23 | 32.6° | 55.0° |
| C13 | O12 | C11 | H7 | 30.4° | 59.9° |
| C13 | O12 | C11 | H8 | 89.6° | 60.0° |
| O12 | C13 | H16 | H17 | 120.4° | 120.0° |
| N04 | C05 | O06 | C07 | 179.7° | 180.0° |
| N04 | C05 | C07 | N08 | 43.5° | 35.0° |
| N04 | C05 | C07 | C10 | 163.8° | 155.0° |
| N04 | C05 | C07 | C09 | 75.9° | 85.0° |
| C05 | N04 | C03 | H23 | 11.9° | 180.0° |
| O06 | C05 | C07 | N08 | 136.3° | 145.0° |
| O06 | C05 | C07 | C10 | 15.9° | 25.0° |
| O06 | C05 | C07 | C09 | 104.4° | 95.0° |
| O06 | C05 | N04 | H34 | 179.2° | 180.0° |
| C05 | C07 | N08 | C10 | 119.7° | 120.0° |
| C05 | C07 | N08 | C09 | 119.7° | 120.0° |
| C05 | C07 | C10 | C09 | 120.5° | 120.0° |
| C05 | C07 | C10 | H9 | 180.0° | 60.0° |
| C05 | C07 | C10 | H10 | 60.0° | 180.0° |
| C05 | C07 | C10 | H11 | 60.0° | 60.0° |
| C05 | C07 | C09 | H24 | 180.0° | 60.0° |
| C05 | C07 | C09 | H25 | 60.0° | 180.0° |
| C05 | C07 | C09 | H26 | 60.0° | 60.0° |
| C07 | C05 | N04 | H34 | 0.5° | 0.0° |
| C05 | C07 | N08 | H35 | 180.0° | 60.0° |
| C05 | C07 | N08 | H36 | 60.0° | 64.0° |
| N08 | C07 | C10 | C09 | 120.3° | 120.0° |
| N08 | C07 | C10 | H9 | 60.8° | 60.0° |
| N08 | C07 | C10 | H10 | 59.2° | 60.0° |
| N08 | C07 | C10 | H11 | 179.2° | 180.0° |
| N08 | C07 | C09 | H24 | 61.1° | 180.0° |
| N08 | C07 | C09 | H25 | 178.9° | 60.0° |
| N08 | C07 | C09 | H26 | 58.9° | 60.0° |
| C07 | N08 | H35 | H36 | 120.0° | 123.9° |
| C07 | C10 | H9 | H10 | 120.0° | 120.0° |
| C07 | C10 | H9 | H11 | 120.0° | 120.1° |
| C07 | C10 | H10 | H11 | 120.0° | 120.0° |
| C10 | C07 | C09 | H24 | 59.9° | 60.0° |
| C10 | C07 | C09 | H25 | 60.2° | 60.0° |
| C10 | C07 | C09 | H26 | 179.8° | 180.0° |
| C10 | C07 | N08 | H35 | 60.3° | 60.0° |
| C10 | C07 | N08 | H36 | 179.7° | 176.1° |
| C09 | C07 | C10 | H9 | 59.5° | 180.0° |
| C09 | C07 | C10 | H10 | 179.5° | 60.0° |
| C09 | C07 | C10 | H11 | 60.5° | 60.0° |
| C07 | C09 | H24 | H25 | 120.0° | 119.9° |
| C07 | C09 | H24 | H26 | 120.0° | 120.0° |
| C07 | C09 | H25 | H26 | 120.0° | 120.0° |
| C09 | C07 | N08 | H35 | 60.3° | 180.0° |
| C09 | C07 | N08 | H36 | 59.7° | 56.0° |
| H3 | C25 | C24 | H5 | 56.7° | 174.2° |
| H3 | C25 | C24 | H6 | 175.4° | 54.1° |
| H4 | C25 | C24 | H5 | 62.2° | 53.9° |
| H4 | C25 | C24 | H6 | 56.5° | 66.1° |
| H7 | C11 | C03 | H23 | 87.4° | 65.1° |
| H8 | C11 | C03 | H23 | 152.6° | 175.0° |
| H9 | C10 | H10 | H11 | 120.0° | 120.0° |
| H12 | C17 | C18 | H13 | 0.0° | 0.1° |
| H12 | C17 | C16 | H14 | 0.0° | 0.3° |
| H13 | C18 | C19 | H18 | 0.1° | 0.1° |
| H14 | C16 | C15 | H15 | 0.0° | 0.1° |
| H19 | C21 | C22 | H21 | 66.5° | 53.8° |
| H19 | C21 | C22 | H22 | 174.0° | 66.3° |
| H20 | C21 | C22 | H21 | 53.0° | 174.2° |
| H20 | C21 | C22 | H22 | 66.6° | 54.1° |
| H23 | C03 | N04 | H34 | 168.1° | 0.0° |
| H24 | C09 | H25 | H26 | 120.0° | 120.1° |
| H27 | C30 | C31 | H28 | 0.0° | 0.0° |
| H28 | C31 | C32 | H29 | 0.1° | 0.0° |
| H29 | C32 | C33 | H30 | 0.1° | 0.3° |
| H31 | C37 | H32 | H33 | 120.0° | 120.0° |
