ZRT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C36 | O37 | sing | 1.43Å | 1.39Å | |
| C36 | C35 | sing | 1.53Å | 1.53Å | |
| O37 | C38 | sing | 1.43Å | 1.39Å | |
| C35 | N34 | sing | 1.47Å | 1.47Å | |
| C41 | O40 | sing | 1.43Å | 1.40Å | |
| C38 | C39 | sing | 1.53Å | 1.53Å | |
| N34 | C39 | sing | 1.47Å | 1.46Å | |
| N34 | C26 | sing | 1.40Å | 1.46Å | |
| C25 | C26 | doub | 1.39Å | 1.38Å | Aromatic |
| C25 | C24 | sing | 1.39Å | 1.38Å | Aromatic |
| C26 | C27 | sing | 1.39Å | 1.40Å | Aromatic |
| O40 | C24 | sing | 1.36Å | 1.40Å | |
| C24 | C23 | doub | 1.39Å | 1.39Å | Aromatic |
| C27 | N29 | sing | 1.40Å | 1.46Å | |
| C27 | C28 | doub | 1.39Å | 1.40Å | Aromatic |
| N29 | C30 | sing | 1.35Å | 1.46Å | |
| C23 | C28 | sing | 1.39Å | 1.39Å | Aromatic |
| C23 | N22 | sing | 1.40Å | 1.45Å | |
| C33 | C32 | sing | 1.53Å | 1.32Å | |
| N22 | C18 | sing | 1.39Å | 1.45Å | |
| C30 | C32 | sing | 1.51Å | 1.52Å | |
| C30 | O31 | doub | 1.21Å | 1.18Å | |
| C18 | N19 | doub | 1.32Å | 1.32Å | Aromatic |
| C18 | N17 | sing | 1.33Å | 1.31Å | Aromatic |
| N19 | C20 | sing | 1.32Å | 1.32Å | Aromatic |
| N17 | C16 | doub | 1.33Å | 1.32Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| C16 | N07 | sing | 1.39Å | 1.44Å | |
| C06 | N07 | sing | 1.36Å | 1.31Å | Aromatic |
| C06 | C05 | doub | 1.35Å | 1.36Å | Aromatic |
| C01 | N02 | sing | 1.47Å | 1.46Å | |
| N07 | N08 | sing | 1.40Å | 1.36Å | Aromatic |
| C03 | N02 | sing | 1.47Å | 1.45Å | |
| C04 | C05 | sing | 1.51Å | 1.54Å | |
| C04 | N02 | sing | 1.47Å | 1.47Å | |
| C05 | C09 | sing | 1.41Å | 1.40Å | Aromatic |
| N08 | C09 | doub | 1.32Å | 1.34Å | Aromatic |
| C09 | C10 | sing | 1.48Å | 1.53Å | |
| C10 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.09Å | 1.10Å | |
| C03 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| C04 | H7 | sing | 1.09Å | 1.10Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| C06 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H11 | sing | 1.08Å | 1.08Å | |
| C13 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | H14 | sing | 1.08Å | 1.08Å | |
| C20 | H15 | sing | 1.08Å | 1.08Å | |
| C21 | H16 | sing | 1.08Å | 1.08Å | |
| C25 | H17 | sing | 1.08Å | 1.08Å | |
| C28 | H18 | sing | 1.08Å | 1.08Å | |
| C32 | H19 | sing | 1.09Å | 1.10Å | |
| C33 | H20 | sing | 1.09Å | 1.10Å | |
| C33 | H21 | sing | 1.09Å | 1.10Å | |
| C35 | H22 | sing | 1.09Å | 1.10Å | |
| C35 | H23 | sing | 1.09Å | 1.10Å | |
| C36 | H24 | sing | 1.09Å | 1.10Å | |
| C36 | H25 | sing | 1.09Å | 1.10Å | |
| C38 | H26 | sing | 1.09Å | 1.10Å | |
| C38 | H27 | sing | 1.09Å | 1.10Å | |
| C39 | H28 | sing | 1.09Å | 1.10Å | |
| C39 | H29 | sing | 1.09Å | 1.10Å | |
| C41 | H30 | sing | 1.09Å | 1.10Å | |
| C41 | H31 | sing | 1.09Å | 1.10Å | |
| C41 | H32 | sing | 1.09Å | 1.10Å | |
| N22 | H34 | sing | 0.97Å | 1.00Å | |
| N29 | H35 | sing | 0.97Å | 1.00Å | |
| C32 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H36 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O37 | C36 | C35 | 112.0° | 109.3° |
| C36 | O37 | C38 | 113.8° | 113.7° |
| O37 | C36 | H24 | 108.8° | 109.5° |
| O37 | C36 | H25 | 108.8° | 109.5° |
| C36 | C35 | N34 | 111.4° | 109.2° |
| C36 | C35 | H22 | 109.0° | 109.5° |
| C36 | C35 | H23 | 109.0° | 109.6° |
| C35 | C36 | H24 | 108.8° | 109.5° |
| C35 | C36 | H25 | 108.8° | 109.5° |
| O37 | C38 | C39 | 112.2° | 109.2° |
| O37 | C38 | H26 | 108.8° | 109.5° |
| O37 | C38 | H27 | 108.8° | 109.6° |
| C35 | N34 | C39 | 107.3° | 110.7° |
| C35 | N34 | C26 | 119.8° | 111.0° |
| N34 | C35 | H22 | 109.0° | 109.5° |
| N34 | C35 | H23 | 109.0° | 109.5° |
| C41 | O40 | C24 | 113.5° | 116.9° |
| O40 | C41 | H30 | 109.5° | 109.5° |
| O40 | C41 | H31 | 109.4° | 109.5° |
| O40 | C41 | H32 | 109.4° | 109.5° |
| C38 | C39 | N34 | 111.4° | 109.3° |
| C39 | C38 | H26 | 108.8° | 109.5° |
| C39 | C38 | H27 | 108.8° | 109.5° |
| C38 | C39 | H28 | 109.0° | 109.5° |
| C38 | C39 | H29 | 109.0° | 109.5° |
| C39 | N34 | C26 | 120.7° | 111.0° |
| N34 | C39 | H28 | 109.0° | 109.5° |
| N34 | C39 | H29 | 109.0° | 109.6° |
| N34 | C26 | C25 | 118.4° | 120.0° |
| N34 | C26 | C27 | 120.7° | 120.0° |
| C26 | C25 | C24 | 119.8° | 120.0° |
| C25 | C26 | C27 | 120.8° | 120.0° |
| C26 | C25 | H17 | 120.1° | 120.0° |
| C25 | C24 | O40 | 120.6° | 120.1° |
| C25 | C24 | C23 | 120.2° | 120.0° |
| C24 | C25 | H17 | 120.1° | 120.0° |
| C26 | C27 | N29 | 118.0° | 120.0° |
| C26 | C27 | C28 | 119.0° | 119.9° |
| O40 | C24 | C23 | 119.2° | 119.9° |
| C24 | C23 | C28 | 120.2° | 120.0° |
| C24 | C23 | N22 | 116.6° | 120.0° |
| N29 | C27 | C28 | 123.0° | 120.1° |
| C27 | N29 | C30 | 126.2° | 120.0° |
| C27 | N29 | H35 | 116.9° | 120.0° |
| C27 | C28 | C23 | 120.0° | 120.0° |
| C27 | C28 | H18 | 120.0° | 120.0° |
| N29 | C30 | C32 | 118.8° | 120.0° |
| N29 | C30 | O31 | 122.2° | 120.0° |
| C30 | N29 | H35 | 116.9° | 120.0° |
| C28 | C23 | N22 | 123.2° | 120.0° |
| C23 | C28 | H18 | 120.0° | 120.0° |
| C23 | N22 | C18 | 124.9° | 120.0° |
| C23 | N22 | H34 | 117.6° | 120.0° |
| C33 | C32 | C30 | 119.7° | 109.5° |
| C33 | C32 | H19 | 106.9° | 109.5° |
| C32 | C33 | H20 | 109.5° | 109.5° |
| C32 | C33 | H21 | 109.5° | 109.5° |
| C33 | C32 | H33 | 106.9° | 109.4° |
| C32 | C33 | H36 | 109.5° | 109.5° |
| N22 | C18 | N19 | 118.3° | 119.2° |
| N22 | C18 | N17 | 120.1° | 119.2° |
| C18 | N22 | H34 | 117.6° | 120.0° |
| C32 | C30 | O31 | 119.0° | 120.1° |
| C30 | C32 | H19 | 106.8° | 109.5° |
| C30 | C32 | H33 | 106.9° | 109.5° |
| N19 | C18 | N17 | 121.6° | 121.7° |
| C18 | N19 | C20 | 121.5° | 120.9° |
| C18 | N17 | C16 | 120.3° | 120.6° |
| N19 | C20 | C21 | 118.8° | 119.3° |
| N19 | C20 | H15 | 120.6° | 120.3° |
| N17 | C16 | C21 | 120.1° | 119.0° |
| N17 | C16 | N07 | 118.1° | 120.5° |
| C20 | C21 | C16 | 117.7° | 118.5° |
| C21 | C20 | H15 | 120.6° | 120.4° |
| C20 | C21 | H16 | 121.1° | 120.8° |
| C21 | C16 | N07 | 121.6° | 120.5° |
| C16 | C21 | H16 | 121.1° | 120.7° |
| C16 | N07 | C06 | 122.8° | 126.0° |
| C16 | N07 | N08 | 126.1° | 126.0° |
| N07 | C06 | C05 | 107.7° | 107.9° |
| C06 | N07 | N08 | 111.0° | 108.0° |
| N07 | C06 | H9 | 126.2° | 126.1° |
| C06 | C05 | C04 | 123.9° | 126.1° |
| C06 | C05 | C09 | 107.0° | 107.9° |
| C05 | C06 | H9 | 126.2° | 126.1° |
| C01 | N02 | C03 | 108.8° | 111.0° |
| C01 | N02 | C04 | 111.0° | 111.0° |
| N02 | C01 | H1 | 109.5° | 109.5° |
| N02 | C01 | H2 | 109.5° | 109.5° |
| N02 | C01 | H3 | 109.5° | 109.4° |
| N07 | N08 | C09 | 107.0° | 108.2° |
| C03 | N02 | C04 | 109.6° | 111.0° |
| N02 | C03 | H4 | 109.5° | 109.5° |
| N02 | C03 | H5 | 109.4° | 109.5° |
| N02 | C03 | H6 | 109.5° | 109.4° |
| C05 | C04 | N02 | 110.2° | 109.5° |
| C04 | C05 | C09 | 129.1° | 126.0° |
| C05 | C04 | H7 | 109.3° | 109.4° |
| C05 | C04 | H8 | 109.3° | 109.5° |
| N02 | C04 | H7 | 109.3° | 109.5° |
| N02 | C04 | H8 | 109.3° | 109.5° |
| C05 | C09 | N08 | 107.3° | 108.0° |
| C05 | C09 | C10 | 128.9° | 126.0° |
| N08 | C09 | C10 | 123.7° | 126.0° |
| C09 | C10 | C11 | 122.5° | 120.1° |
| C09 | C10 | C15 | 117.7° | 120.1° |
| C11 | C10 | C15 | 119.8° | 119.8° |
| C10 | C11 | C12 | 119.9° | 119.9° |
| C10 | C11 | H10 | 120.0° | 120.1° |
| C10 | C15 | C14 | 120.4° | 119.9° |
| C10 | C15 | H14 | 119.8° | 120.1° |
| C11 | C12 | C13 | 119.9° | 120.1° |
| C12 | C11 | H10 | 120.0° | 120.1° |
| C11 | C12 | H11 | 120.0° | 119.9° |
| C15 | C14 | C13 | 119.5° | 120.1° |
| C15 | C14 | H13 | 120.3° | 120.0° |
| C14 | C15 | H14 | 119.8° | 120.0° |
| C12 | C13 | C14 | 120.5° | 120.3° |
| C13 | C12 | H11 | 120.1° | 119.9° |
| C12 | C13 | H12 | 119.8° | 119.9° |
| C14 | C13 | H12 | 119.8° | 119.8° |
| C13 | C14 | H13 | 120.3° | 120.0° |
| H1 | C01 | H2 | 109.4° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.4° |
| H4 | C03 | H5 | 109.5° | 109.5° |
| H4 | C03 | H6 | 109.4° | 109.5° |
| H5 | C03 | H6 | 109.5° | 109.5° |
| H7 | C04 | H8 | 109.5° | 109.5° |
| H19 | C32 | H33 | 109.4° | 109.5° |
| H20 | C33 | H21 | 109.5° | 109.4° |
| H20 | C33 | H36 | 109.4° | 109.5° |
| H21 | C33 | H36 | 109.4° | 109.4° |
| H22 | C35 | H23 | 109.4° | 109.5° |
| H24 | C36 | H25 | 109.5° | 109.5° |
| H26 | C38 | H27 | 109.5° | 109.5° |
| H28 | C39 | H29 | 109.5° | 109.4° |
| H30 | C41 | H31 | 109.4° | 109.5° |
| H30 | C41 | H32 | 109.5° | 109.4° |
| H31 | C41 | H32 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O37 | C36 | C35 | H24 | 120.4° | 119.9° |
| O37 | C36 | C35 | H25 | 120.4° | 120.0° |
| O37 | C36 | C35 | N34 | 55.6° | 56.9° |
| C36 | O37 | C38 | C39 | 52.9° | 58.7° |
| O37 | C36 | C35 | H22 | 175.9° | 176.8° |
| O37 | C36 | C35 | H23 | 64.7° | 63.1° |
| O37 | C36 | H24 | H25 | 118.9° | 120.1° |
| C36 | O37 | C38 | H26 | 173.3° | 61.3° |
| C36 | O37 | C38 | H27 | 67.5° | 178.6° |
| C35 | C36 | O37 | C38 | 53.0° | 58.7° |
| C36 | C35 | N34 | H22 | 120.3° | 119.9° |
| C36 | C35 | N34 | H23 | 120.3° | 120.0° |
| C36 | C35 | N34 | C39 | 56.6° | 58.6° |
| C36 | C35 | N34 | C26 | 160.8° | 177.6° |
| C36 | C35 | H22 | H23 | 119.1° | 120.2° |
| C35 | C36 | H24 | H25 | 118.8° | 120.1° |
| O37 | C38 | C39 | H26 | 120.4° | 120.0° |
| O37 | C38 | C39 | H27 | 120.4° | 120.0° |
| O37 | C38 | C39 | N34 | 55.4° | 56.9° |
| C38 | O37 | C36 | H24 | 67.4° | 178.6° |
| C38 | O37 | C36 | H25 | 173.4° | 61.3° |
| O37 | C38 | H26 | H27 | 118.8° | 120.2° |
| O37 | C38 | C39 | H28 | 64.9° | 63.1° |
| O37 | C38 | C39 | H29 | 175.7° | 176.9° |
| C35 | N34 | C39 | C38 | 56.4° | 58.6° |
| C35 | N34 | C39 | C26 | 142.1° | 123.7° |
| C35 | N34 | C26 | C25 | 32.8° | 59.9° |
| C35 | N34 | C26 | C27 | 147.5° | 120.0° |
| N34 | C35 | H22 | H23 | 119.1° | 120.1° |
| N34 | C35 | C36 | H24 | 64.8° | 176.8° |
| N34 | C35 | C36 | H25 | 176.0° | 63.1° |
| C35 | N34 | C39 | H28 | 63.9° | 61.3° |
| C35 | N34 | C39 | H29 | 176.7° | 178.6° |
| C41 | O40 | C24 | C25 | 57.3° | 0.1° |
| C41 | O40 | C24 | C23 | 123.0° | 180.0° |
| O40 | C41 | H30 | H31 | 120.0° | 120.0° |
| O40 | C41 | H30 | H32 | 120.0° | 120.0° |
| O40 | C41 | H31 | H32 | 120.0° | 120.0° |
| C38 | C39 | N34 | H28 | 120.3° | 119.9° |
| C38 | C39 | N34 | H29 | 120.3° | 120.0° |
| C38 | C39 | N34 | C26 | 161.4° | 177.6° |
| C39 | C38 | H26 | H27 | 118.8° | 120.1° |
| C38 | C39 | H28 | H29 | 119.1° | 120.0° |
| C39 | N34 | C26 | C25 | 104.8° | 63.7° |
| C39 | N34 | C26 | C27 | 75.0° | 116.4° |
| C39 | N34 | C35 | H22 | 176.9° | 178.5° |
| C39 | N34 | C35 | H23 | 63.7° | 61.4° |
| N34 | C39 | C38 | H26 | 175.8° | 63.1° |
| N34 | C39 | C38 | H27 | 65.0° | 176.9° |
| N34 | C39 | H28 | H29 | 119.1° | 120.1° |
| N34 | C26 | C25 | C27 | 179.7° | 179.9° |
| N34 | C26 | C25 | C24 | 179.9° | 180.0° |
| N34 | C26 | C27 | N29 | 0.6° | 0.1° |
| N34 | C26 | C27 | C28 | 180.0° | 180.0° |
| N34 | C26 | C25 | H17 | 0.1° | 0.0° |
| C26 | N34 | C35 | H22 | 40.5° | 57.7° |
| C26 | N34 | C35 | H23 | 78.9° | 62.3° |
| C26 | N34 | C39 | H28 | 78.3° | 62.4° |
| C26 | N34 | C39 | H29 | 41.1° | 57.6° |
| C26 | C25 | C24 | H17 | 180.0° | 180.0° |
| C26 | C25 | C24 | O40 | 180.0° | 179.9° |
| C26 | C25 | C24 | C23 | 0.2° | 0.0° |
| C25 | C26 | C27 | N29 | 179.6° | 180.0° |
| C25 | C26 | C27 | C28 | 0.3° | 0.1° |
| C24 | C25 | C26 | C27 | 0.2° | 0.1° |
| C25 | C24 | O40 | C23 | 179.7° | 180.0° |
| C25 | C24 | C23 | C28 | 0.5° | 0.0° |
| C25 | C24 | C23 | N22 | 179.4° | 179.8° |
| C26 | C27 | N29 | C28 | 179.3° | 179.9° |
| C26 | C27 | N29 | C30 | 162.7° | 145.8° |
| C26 | C27 | C28 | C23 | 0.5° | 0.1° |
| C27 | C26 | C25 | H17 | 179.8° | 180.0° |
| C26 | C27 | C28 | H18 | 179.5° | 179.7° |
| C26 | C27 | N29 | H35 | 17.3° | 34.3° |
| O40 | C24 | C23 | C28 | 179.8° | 179.9° |
| O40 | C24 | C23 | N22 | 0.9° | 0.3° |
| O40 | C24 | C25 | H17 | 0.0° | 0.0° |
| C24 | O40 | C41 | H30 | 180.0° | 60.0° |
| C24 | O40 | C41 | H31 | 60.0° | 60.0° |
| C24 | O40 | C41 | H32 | 60.0° | 180.0° |
| C24 | C23 | C28 | C27 | 0.6° | 0.0° |
| C24 | C23 | C28 | N22 | 178.9° | 179.8° |
| C24 | C23 | N22 | C18 | 131.7° | 145.1° |
| C23 | C24 | C25 | H17 | 179.7° | 180.0° |
| C24 | C23 | C28 | H18 | 179.4° | 179.7° |
| C24 | C23 | N22 | H34 | 48.2° | 34.8° |
| C27 | N29 | C30 | H35 | 180.0° | 180.0° |
| N29 | C27 | C28 | C23 | 179.8° | 180.0° |
| C27 | N29 | C30 | C32 | 179.8° | 176.2° |
| C27 | N29 | C30 | O31 | 0.0° | 3.8° |
| N29 | C27 | C28 | H18 | 0.2° | 0.4° |
| C28 | C27 | N29 | C30 | 18.0° | 34.1° |
| C27 | C28 | C23 | H18 | 180.0° | 179.6° |
| C27 | C28 | C23 | N22 | 179.5° | 179.8° |
| C28 | C27 | N29 | H35 | 162.0° | 145.8° |
| N29 | C30 | C32 | C33 | 88.4° | 180.0° |
| N29 | C30 | C32 | O31 | 179.8° | 180.0° |
| N29 | C30 | C32 | H19 | 33.1° | 60.0° |
| N29 | C30 | C32 | H33 | 150.2° | 60.0° |
| C28 | C23 | N22 | C18 | 49.4° | 34.6° |
| C28 | C23 | N22 | H34 | 130.7° | 145.4° |
| C23 | N22 | C18 | H34 | 180.0° | 180.0° |
| C23 | N22 | C18 | N19 | 161.6° | 3.5° |
| C23 | N22 | C18 | N17 | 18.9° | 176.1° |
| N22 | C23 | C28 | H18 | 0.5° | 0.1° |
| C33 | C32 | C30 | H19 | 121.5° | 120.0° |
| C33 | C32 | C30 | H33 | 121.5° | 120.0° |
| C33 | C32 | C30 | O31 | 91.4° | 0.0° |
| C33 | C32 | H19 | H33 | 115.4° | 120.0° |
| C32 | C33 | H20 | H21 | 120.0° | 120.0° |
| C32 | C33 | H20 | H36 | 120.0° | 120.1° |
| C32 | C33 | H21 | H36 | 120.0° | 120.0° |
| N22 | C18 | N19 | N17 | 179.5° | 179.7° |
| N22 | C18 | N19 | C20 | 179.2° | 180.0° |
| N22 | C18 | N17 | C16 | 179.3° | 179.7° |
| C30 | C32 | H19 | H33 | 115.3° | 120.0° |
| C30 | C32 | C33 | H20 | 180.0° | 60.0° |
| C30 | C32 | C33 | H21 | 60.0° | 60.0° |
| C32 | C30 | N29 | H35 | 0.2° | 3.8° |
| C30 | C32 | C33 | H36 | 60.0° | 180.0° |
| O31 | C30 | C32 | H19 | 147.1° | 120.0° |
| O31 | C30 | N29 | H35 | 180.0° | 176.2° |
| O31 | C30 | C32 | H33 | 30.0° | 119.9° |
| N19 | C18 | N17 | C16 | 1.3° | 0.1° |
| C18 | N19 | C20 | C21 | 0.6° | 0.5° |
| C18 | N19 | C20 | H15 | 179.4° | 180.0° |
| N19 | C18 | N22 | H34 | 18.3° | 176.5° |
| N17 | C18 | N19 | C20 | 0.2° | 0.3° |
| C18 | N17 | C16 | C21 | 2.3° | 0.0° |
| C18 | N17 | C16 | N07 | 178.4° | 179.8° |
| N17 | C18 | N22 | H34 | 161.1° | 3.8° |
| N19 | C20 | C21 | H15 | 180.0° | 179.5° |
| N19 | C20 | C21 | C16 | 0.4° | 0.5° |
| N19 | C20 | C21 | H16 | 179.6° | 179.5° |
| N17 | C16 | C21 | C20 | 1.9° | 0.2° |
| N17 | C16 | C21 | N07 | 175.9° | 179.8° |
| N17 | C16 | N07 | C06 | 1.4° | 0.3° |
| N17 | C16 | N07 | N08 | 175.2° | 179.5° |
| N17 | C16 | C21 | H16 | 178.1° | 179.7° |
| C20 | C21 | C16 | H16 | 180.0° | 179.9° |
| C20 | C21 | C16 | N07 | 177.8° | 180.0° |
| C21 | C16 | N07 | C06 | 177.5° | 179.9° |
| C21 | C16 | N07 | N08 | 0.8° | 0.2° |
| C16 | C21 | C20 | H15 | 179.6° | 180.0° |
| C16 | N07 | C06 | N08 | 177.1° | 179.8° |
| C16 | N07 | C06 | C05 | 177.9° | 180.0° |
| C16 | N07 | N08 | C09 | 178.3° | 179.8° |
| C16 | N07 | C06 | H9 | 2.0° | 0.1° |
| N07 | C16 | C21 | H16 | 2.2° | 0.0° |
| N07 | C06 | C05 | H9 | 180.0° | 179.9° |
| N07 | C06 | C05 | C04 | 179.8° | 180.0° |
| N07 | C06 | C05 | C09 | 0.0° | 0.2° |
| C06 | N07 | N08 | C09 | 1.3° | 0.0° |
| C05 | C06 | N07 | N08 | 0.8° | 0.1° |
| C06 | C05 | C04 | C09 | 179.8° | 179.7° |
| C06 | C05 | C04 | N02 | 109.5° | 99.7° |
| C06 | C05 | C09 | N08 | 0.8° | 0.3° |
| C06 | C05 | C09 | C10 | 178.9° | 179.7° |
| C06 | C05 | C04 | H7 | 130.4° | 20.3° |
| C06 | C05 | C04 | H8 | 10.6° | 140.3° |
| C01 | N02 | C03 | C04 | 121.6° | 124.0° |
| C01 | N02 | C04 | C05 | 45.7° | 66.0° |
| N02 | C01 | H1 | H2 | 120.0° | 120.0° |
| N02 | C01 | H1 | H3 | 120.0° | 120.0° |
| N02 | C01 | H2 | H3 | 120.0° | 119.9° |
| C01 | N02 | C03 | H4 | 180.0° | 64.0° |
| C01 | N02 | C03 | H5 | 60.0° | 176.0° |
| C01 | N02 | C03 | H6 | 60.0° | 56.0° |
| C01 | N02 | C04 | H7 | 165.8° | 54.0° |
| C01 | N02 | C04 | H8 | 74.5° | 174.0° |
| N07 | N08 | C09 | C05 | 1.3° | 0.2° |
| N07 | N08 | C09 | C10 | 179.5° | 179.8° |
| N08 | N07 | C06 | H9 | 179.2° | 179.8° |
| C03 | N02 | C04 | C05 | 165.9° | 170.0° |
| C03 | N02 | C01 | H1 | 180.0° | 60.0° |
| C03 | N02 | C01 | H2 | 60.0° | 180.0° |
| C03 | N02 | C01 | H3 | 60.0° | 60.0° |
| N02 | C03 | H4 | H5 | 120.0° | 120.0° |
| N02 | C03 | H4 | H6 | 120.0° | 119.9° |
| N02 | C03 | H5 | H6 | 120.0° | 119.9° |
| C03 | N02 | C04 | H7 | 74.0° | 70.0° |
| C03 | N02 | C04 | H8 | 45.8° | 50.0° |
| C05 | C04 | N02 | H7 | 120.1° | 120.0° |
| C05 | C04 | N02 | H8 | 120.1° | 120.0° |
| C04 | C05 | C09 | N08 | 179.4° | 180.0° |
| C04 | C05 | C09 | C10 | 1.2° | 0.0° |
| C05 | C04 | H7 | H8 | 119.7° | 120.0° |
| C04 | C05 | C06 | H9 | 0.2° | 0.0° |
| N02 | C04 | C05 | C09 | 70.7° | 80.0° |
| C04 | N02 | C01 | H1 | 59.3° | 176.0° |
| C04 | N02 | C01 | H2 | 179.3° | 56.0° |
| C04 | N02 | C01 | H3 | 60.7° | 63.9° |
| C04 | N02 | C03 | H4 | 58.4° | 60.0° |
| C04 | N02 | C03 | H5 | 61.6° | 60.0° |
| C04 | N02 | C03 | H6 | 178.4° | 180.0° |
| N02 | C04 | H7 | H8 | 119.7° | 120.0° |
| C05 | C09 | N08 | C10 | 178.3° | 180.0° |
| C05 | C09 | C10 | C11 | 28.7° | 145.0° |
| C05 | C09 | C10 | C15 | 150.8° | 35.3° |
| C09 | C05 | C04 | H7 | 49.4° | 160.0° |
| C09 | C05 | C04 | H8 | 169.2° | 40.0° |
| C09 | C05 | C06 | H9 | 180.0° | 179.7° |
| N08 | C09 | C10 | C11 | 153.5° | 35.0° |
| N08 | C09 | C10 | C15 | 27.1° | 144.7° |
| C09 | C10 | C11 | C15 | 179.5° | 179.7° |
| C09 | C10 | C11 | C12 | 179.5° | 179.7° |
| C09 | C10 | C15 | C14 | 179.6° | 179.7° |
| C09 | C10 | C11 | H10 | 0.5° | 0.3° |
| C09 | C10 | C15 | H14 | 0.4° | 0.3° |
| C10 | C11 | C12 | H10 | 180.0° | 180.0° |
| C11 | C10 | C15 | C14 | 0.1° | 0.0° |
| C10 | C11 | C12 | C13 | 0.0° | 0.0° |
| C10 | C11 | C12 | H11 | 180.0° | 179.9° |
| C11 | C10 | C15 | H14 | 179.9° | 180.0° |
| C15 | C10 | C11 | C12 | 0.0° | 0.0° |
| C10 | C15 | C14 | H14 | 180.0° | 180.0° |
| C10 | C15 | C14 | C13 | 0.1° | 0.0° |
| C15 | C10 | C11 | H10 | 180.0° | 179.9° |
| C10 | C15 | C14 | H13 | 179.9° | 180.0° |
| C11 | C12 | C13 | H11 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.0° | 0.1° |
| C11 | C12 | C13 | H12 | 179.9° | 180.0° |
| C15 | C14 | C13 | C12 | 0.1° | 0.0° |
| C15 | C14 | C13 | H13 | 180.0° | 180.0° |
| C15 | C14 | C13 | H12 | 179.9° | 180.0° |
| C12 | C13 | C14 | H12 | 180.0° | 180.0° |
| C13 | C12 | C11 | H10 | 180.0° | 179.9° |
| C12 | C13 | C14 | H13 | 179.9° | 180.0° |
| C14 | C13 | C12 | H11 | 180.0° | 180.0° |
| C13 | C14 | C15 | H14 | 179.9° | 180.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.1° |
| H4 | C03 | H5 | H6 | 120.0° | 120.1° |
| H10 | C11 | C12 | H11 | 0.0° | 0.0° |
| H11 | C12 | C13 | H12 | 0.0° | 0.1° |
| H12 | C13 | C14 | H13 | 0.1° | 0.0° |
| H13 | C14 | C15 | H14 | 0.1° | 0.0° |
| H15 | C20 | C21 | H16 | 0.4° | 0.1° |
| H19 | C32 | C33 | H20 | 58.5° | 180.0° |
| H19 | C32 | C33 | H21 | 61.5° | 60.0° |
| H19 | C32 | C33 | H36 | 178.5° | 60.0° |
| H20 | C33 | H21 | H36 | 119.9° | 120.0° |
| H20 | C33 | C32 | H33 | 58.6° | 60.0° |
| H21 | C33 | C32 | H33 | 178.6° | 180.0° |
| H22 | C35 | C36 | H24 | 55.5° | 63.3° |
| H22 | C35 | C36 | H25 | 63.7° | 56.8° |
| H23 | C35 | C36 | H24 | 174.9° | 56.8° |
| H23 | C35 | C36 | H25 | 55.7° | 176.9° |
| H26 | C38 | C39 | H28 | 55.5° | 176.9° |
| H26 | C38 | C39 | H29 | 63.9° | 56.9° |
| H27 | C38 | C39 | H28 | 174.7° | 56.9° |
| H27 | C38 | C39 | H29 | 55.3° | 63.1° |
| H30 | C41 | H31 | H32 | 120.0° | 120.0° |
| H33 | C32 | C33 | H36 | 61.4° | 60.0° |
