A1EQU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C38 | C37 | doub | 1.31Å | 1.36Å | |
| C37 | C36 | sing | 1.51Å | 1.58Å | |
| C34 | C36 | sing | 1.53Å | 1.35Å | |
| C34 | C33 | sing | 1.53Å | 1.30Å | |
| C34 | C30 | sing | 1.53Å | 1.32Å | |
| C36 | C35 | sing | 1.53Å | 1.60Å | |
| C33 | C32 | sing | 1.53Å | 1.64Å | |
| C30 | C14 | sing | 1.53Å | 1.60Å | |
| C27 | C26 | doub | 1.38Å | 1.38Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| C28 | C29 | doub | 1.38Å | 1.41Å | Aromatic |
| C32 | N31 | sing | 1.47Å | 1.05Å | |
| C07 | C08 | doub | 1.36Å | 1.39Å | Aromatic |
| C07 | C03 | sing | 1.41Å | 1.42Å | Aromatic |
| C35 | N31 | sing | 1.47Å | 1.20Å | |
| C08 | C09 | sing | 1.40Å | 1.40Å | Aromatic |
| C25 | C24 | doub | 1.39Å | 1.40Å | Aromatic |
| N02 | C03 | doub | 1.34Å | 1.39Å | Aromatic |
| N02 | C01 | sing | 1.31Å | 1.38Å | Aromatic |
| C03 | C04 | sing | 1.42Å | 1.39Å | Aromatic |
| C14 | N31 | sing | 1.47Å | 1.29Å | |
| C14 | C13 | sing | 1.53Å | 1.63Å | |
| C09 | O11 | sing | 1.36Å | 1.39Å | |
| C09 | C10 | doub | 1.37Å | 1.40Å | Aromatic |
| C01 | C06 | doub | 1.40Å | 1.41Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | C16 | sing | 1.39Å | 1.37Å | Aromatic |
| O11 | C12 | sing | 1.43Å | 1.40Å | |
| C29 | C24 | sing | 1.39Å | 1.39Å | Aromatic |
| C04 | C10 | sing | 1.41Å | 1.40Å | Aromatic |
| C04 | C05 | doub | 1.41Å | 1.42Å | Aromatic |
| C19 | C20 | sing | 1.39Å | 1.38Å | Aromatic |
| C24 | N23 | sing | 1.40Å | 1.51Å | |
| C06 | C05 | sing | 1.39Å | 1.42Å | Aromatic |
| C06 | C16 | sing | 1.48Å | 1.60Å | |
| C05 | C13 | sing | 1.51Å | 1.58Å | |
| C16 | C17 | doub | 1.39Å | 1.41Å | Aromatic |
| C13 | O15 | sing | 1.43Å | 1.37Å | |
| N23 | N22 | sing | 1.40Å | 1.24Å | |
| C20 | N22 | sing | 1.39Å | 1.48Å | |
| C20 | C21 | doub | 1.39Å | 1.40Å | Aromatic |
| C17 | C21 | sing | 1.38Å | 1.41Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.08Å | 1.08Å | |
| C21 | H4 | sing | 1.08Å | 1.08Å | |
| C26 | H5 | sing | 1.08Å | 1.08Å | |
| C28 | H6 | sing | 1.08Å | 1.08Å | |
| C01 | H7 | sing | 1.08Å | 1.08Å | |
| C07 | H8 | sing | 1.08Å | 1.08Å | |
| C08 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.08Å | 1.08Å | |
| C19 | H15 | sing | 1.08Å | 1.08Å | |
| C25 | H16 | sing | 1.08Å | 1.08Å | |
| C27 | H17 | sing | 1.08Å | 1.08Å | |
| C29 | H18 | sing | 1.08Å | 1.08Å | |
| C30 | H19 | sing | 1.09Å | 1.10Å | |
| C30 | H20 | sing | 1.09Å | 1.10Å | |
| C32 | H21 | sing | 1.09Å | 1.10Å | |
| C32 | H22 | sing | 1.09Å | 1.10Å | |
| C33 | H23 | sing | 1.09Å | 1.10Å | |
| C33 | H24 | sing | 1.09Å | 1.10Å | |
| C34 | H25 | sing | 1.09Å | 1.10Å | |
| C35 | H26 | sing | 1.09Å | 1.10Å | |
| C35 | H27 | sing | 1.09Å | 1.10Å | |
| C36 | H28 | sing | 1.09Å | 1.10Å | |
| C37 | H29 | sing | 1.08Å | 1.08Å | |
| C38 | H30 | sing | 1.08Å | 1.08Å | |
| C38 | H31 | sing | 1.08Å | 1.08Å | |
| N22 | H32 | sing | 0.97Å | 1.00Å | |
| N23 | H33 | sing | 0.97Å | 1.00Å | |
| O15 | H35 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C38 | C37 | C36 | 120.0° | 120.0° |
| C38 | C37 | H29 | 120.0° | 120.0° |
| C37 | C38 | H30 | 120.0° | 120.0° |
| C37 | C38 | H31 | 120.0° | 120.0° |
| C37 | C36 | C34 | 112.8° | 109.6° |
| C37 | C36 | C35 | 108.6° | 109.5° |
| C37 | C36 | H28 | 109.3° | 109.7° |
| C36 | C37 | H29 | 120.0° | 120.0° |
| C36 | C34 | C33 | 104.2° | 108.6° |
| C36 | C34 | C30 | 108.0° | 108.6° |
| C34 | C36 | C35 | 104.2° | 108.8° |
| C36 | C34 | H25 | 112.4° | 110.1° |
| C34 | C36 | H28 | 112.7° | 109.6° |
| C33 | C34 | C30 | 105.3° | 108.6° |
| C34 | C33 | C32 | 105.9° | 108.9° |
| C34 | C33 | H23 | 110.4° | 109.6° |
| C34 | C33 | H24 | 110.4° | 109.7° |
| C33 | C34 | H25 | 113.4° | 110.8° |
| C34 | C30 | C14 | 107.3° | 108.8° |
| C34 | C30 | H19 | 110.0° | 109.5° |
| C34 | C30 | H20 | 110.0° | 109.7° |
| C30 | C34 | H25 | 112.9° | 110.1° |
| C36 | C35 | N31 | 109.6° | 109.4° |
| C36 | C35 | H26 | 109.4° | 109.5° |
| C36 | C35 | H27 | 109.4° | 109.5° |
| C35 | C36 | H28 | 109.1° | 109.6° |
| C33 | C32 | N31 | 109.5° | 109.3° |
| C33 | C32 | H21 | 109.5° | 109.5° |
| C33 | C32 | H22 | 109.5° | 109.6° |
| C32 | C33 | H23 | 110.4° | 109.5° |
| C32 | C33 | H24 | 110.4° | 109.5° |
| C30 | C14 | N31 | 104.3° | 109.4° |
| C30 | C14 | C13 | 115.9° | 109.5° |
| C30 | C14 | H13 | 105.6° | 109.5° |
| C14 | C30 | H19 | 110.0° | 109.6° |
| C14 | C30 | H20 | 110.0° | 109.6° |
| C26 | C27 | C28 | 119.7° | 120.2° |
| C27 | C26 | C25 | 118.9° | 120.1° |
| C27 | C26 | H5 | 120.6° | 120.0° |
| C26 | C27 | H17 | 120.1° | 120.0° |
| C27 | C28 | C29 | 120.6° | 120.0° |
| C27 | C28 | H6 | 119.7° | 119.9° |
| C28 | C27 | H17 | 120.1° | 119.9° |
| C26 | C25 | C24 | 123.3° | 119.9° |
| C25 | C26 | H5 | 120.5° | 120.0° |
| C26 | C25 | H16 | 118.3° | 120.0° |
| C28 | C29 | C24 | 120.8° | 119.9° |
| C29 | C28 | H6 | 119.7° | 120.0° |
| C28 | C29 | H18 | 119.6° | 120.0° |
| C32 | N31 | C35 | 110.4° | 111.0° |
| C32 | N31 | C14 | 108.7° | 111.0° |
| N31 | C32 | H21 | 109.5° | 109.5° |
| N31 | C32 | H22 | 109.5° | 109.4° |
| C08 | C07 | C03 | 120.2° | 119.9° |
| C07 | C08 | C09 | 119.0° | 121.0° |
| C08 | C07 | H8 | 119.9° | 120.1° |
| C07 | C08 | H9 | 120.5° | 119.5° |
| C07 | C03 | N02 | 118.2° | 120.8° |
| C07 | C03 | C04 | 121.0° | 119.1° |
| C03 | C07 | H8 | 119.9° | 120.0° |
| C35 | N31 | C14 | 113.4° | 111.1° |
| N31 | C35 | H26 | 109.4° | 109.5° |
| N31 | C35 | H27 | 109.5° | 109.5° |
| C08 | C09 | O11 | 121.9° | 119.6° |
| C08 | C09 | C10 | 120.2° | 120.7° |
| C09 | C08 | H9 | 120.5° | 119.5° |
| C25 | C24 | C29 | 116.7° | 119.8° |
| C25 | C24 | N23 | 126.6° | 120.1° |
| C24 | C25 | H16 | 118.4° | 120.0° |
| C03 | N02 | C01 | 119.5° | 121.7° |
| N02 | C03 | C04 | 120.8° | 120.1° |
| N02 | C01 | C06 | 121.2° | 121.6° |
| N02 | C01 | H7 | 119.4° | 119.2° |
| C03 | C04 | C10 | 117.9° | 119.7° |
| C03 | C04 | C05 | 120.6° | 119.2° |
| N31 | C14 | C13 | 115.8° | 109.5° |
| N31 | C14 | H13 | 109.5° | 109.5° |
| C14 | C13 | C05 | 109.3° | 109.5° |
| C14 | C13 | O15 | 117.6° | 109.5° |
| C14 | C13 | H2 | 103.0° | 109.5° |
| C13 | C14 | H13 | 105.3° | 109.5° |
| O11 | C09 | C10 | 117.9° | 119.6° |
| C09 | O11 | C12 | 114.2° | 117.0° |
| C09 | C10 | C04 | 121.8° | 119.5° |
| C09 | C10 | H1 | 119.1° | 120.3° |
| C01 | C06 | C05 | 119.9° | 119.5° |
| C01 | C06 | C16 | 112.2° | 120.3° |
| C06 | C01 | H7 | 119.4° | 119.2° |
| C19 | C18 | C16 | 120.5° | 119.9° |
| C18 | C19 | C20 | 122.7° | 120.1° |
| C19 | C18 | H14 | 119.7° | 120.0° |
| C18 | C19 | H15 | 118.6° | 120.0° |
| C18 | C16 | C06 | 116.9° | 120.0° |
| C18 | C16 | C17 | 117.7° | 119.9° |
| C16 | C18 | H14 | 119.8° | 120.0° |
| O11 | C12 | H10 | 109.5° | 109.5° |
| O11 | C12 | H11 | 109.5° | 109.5° |
| O11 | C12 | H12 | 109.5° | 109.5° |
| C29 | C24 | N23 | 116.6° | 120.1° |
| C24 | C29 | H18 | 119.6° | 120.1° |
| C10 | C04 | C05 | 121.5° | 121.1° |
| C04 | C10 | H1 | 119.1° | 120.2° |
| C04 | C05 | C06 | 117.9° | 117.9° |
| C04 | C05 | C13 | 124.0° | 121.0° |
| C19 | C20 | N22 | 122.4° | 120.0° |
| C19 | C20 | C21 | 117.8° | 120.1° |
| C20 | C19 | H15 | 118.7° | 120.0° |
| C24 | N23 | N22 | 136.8° | 120.0° |
| C24 | N23 | H33 | 102.3° | 120.0° |
| C05 | C06 | C16 | 127.8° | 120.2° |
| C06 | C05 | C13 | 118.1° | 121.0° |
| C06 | C16 | C17 | 125.0° | 120.1° |
| C05 | C13 | O15 | 116.0° | 109.4° |
| C05 | C13 | H2 | 103.4° | 109.5° |
| C16 | C17 | C21 | 121.4° | 119.9° |
| C16 | C17 | H3 | 119.3° | 120.0° |
| O15 | C13 | H2 | 105.5° | 109.5° |
| C13 | O15 | H35 | 109.5° | 114.0° |
| N23 | N22 | C20 | 136.8° | 120.0° |
| N23 | N22 | H32 | 102.3° | 119.9° |
| N22 | N23 | H33 | 102.3° | 120.0° |
| N22 | C20 | C21 | 119.4° | 120.0° |
| C20 | N22 | H32 | 102.2° | 120.0° |
| C20 | C21 | C17 | 119.6° | 120.1° |
| C20 | C21 | H4 | 120.2° | 119.9° |
| C21 | C17 | H3 | 119.3° | 120.1° |
| C17 | C21 | H4 | 120.2° | 120.0° |
| H10 | C12 | H11 | 109.5° | 109.4° |
| H10 | C12 | H12 | 109.5° | 109.5° |
| H11 | C12 | H12 | 109.4° | 109.5° |
| H19 | C30 | H20 | 109.5° | 109.6° |
| H21 | C32 | H22 | 109.5° | 109.5° |
| H23 | C33 | H24 | 109.4° | 109.6° |
| H26 | C35 | H27 | 109.5° | 109.5° |
| H30 | C38 | H31 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C38 | C37 | C36 | H29 | 180.0° | 179.9° |
| C38 | C37 | C36 | C34 | 161.1° | 120.0° |
| C38 | C37 | C36 | C35 | 83.9° | 120.7° |
| C38 | C37 | C36 | H28 | 34.9° | 0.3° |
| C37 | C38 | H30 | H31 | 179.9° | 180.0° |
| C37 | C36 | C34 | C35 | 117.5° | 119.7° |
| C37 | C36 | C34 | H28 | 124.4° | 120.4° |
| C37 | C36 | C34 | C33 | 171.9° | 178.7° |
| C37 | C36 | C34 | C30 | 76.5° | 60.8° |
| C37 | C36 | C35 | H28 | 119.0° | 120.4° |
| C37 | C36 | C35 | N31 | 151.7° | 119.7° |
| C37 | C36 | C34 | H25 | 48.7° | 59.9° |
| C37 | C36 | C35 | H26 | 88.3° | 120.3° |
| C37 | C36 | C35 | H27 | 31.7° | 0.3° |
| C36 | C37 | C38 | H30 | 180.0° | 0.0° |
| C36 | C37 | C38 | H31 | 0.0° | 179.9° |
| C36 | C34 | C33 | C30 | 113.6° | 117.9° |
| C36 | C34 | C33 | H25 | 122.6° | 121.0° |
| C36 | C34 | C30 | H25 | 124.9° | 120.6° |
| C34 | C36 | C35 | H28 | 120.6° | 119.8° |
| C36 | C34 | C33 | C32 | 44.6° | 58.9° |
| C36 | C34 | C30 | C14 | 74.7° | 59.0° |
| C34 | C36 | C35 | N31 | 31.2° | 0.0° |
| C36 | C34 | C30 | H19 | 45.0° | 178.7° |
| C36 | C34 | C30 | H20 | 165.6° | 61.0° |
| C36 | C34 | C33 | H23 | 164.0° | 60.8° |
| C36 | C34 | C33 | H24 | 74.8° | 178.8° |
| C34 | C36 | C35 | H26 | 151.2° | 120.0° |
| C34 | C36 | C35 | H27 | 88.8° | 120.1° |
| C34 | C36 | C37 | H29 | 18.9° | 59.9° |
| C33 | C34 | C30 | H25 | 124.2° | 121.5° |
| C33 | C34 | C36 | C35 | 70.5° | 58.9° |
| C34 | C33 | C32 | H23 | 119.4° | 119.8° |
| C34 | C33 | C32 | H24 | 119.5° | 120.0° |
| C33 | C34 | C30 | C14 | 36.2° | 58.9° |
| C34 | C33 | C32 | N31 | 29.3° | 0.1° |
| C33 | C34 | C30 | H19 | 155.9° | 60.8° |
| C33 | C34 | C30 | H20 | 83.5° | 178.9° |
| C34 | C33 | C32 | H21 | 149.3° | 120.0° |
| C34 | C33 | C32 | H22 | 90.7° | 119.9° |
| C34 | C33 | H23 | H24 | 121.7° | 120.4° |
| C33 | C34 | C36 | H28 | 47.6° | 60.9° |
| C30 | C34 | C36 | C35 | 41.1° | 59.0° |
| C30 | C34 | C33 | C32 | 69.0° | 59.0° |
| C34 | C30 | C14 | H19 | 119.7° | 119.7° |
| C34 | C30 | C14 | H20 | 119.7° | 120.0° |
| C34 | C30 | C14 | N31 | 34.8° | 0.1° |
| C34 | C30 | C14 | C13 | 163.3° | 120.0° |
| C34 | C30 | C14 | H13 | 80.6° | 119.9° |
| C34 | C30 | H19 | H20 | 121.0° | 120.4° |
| C30 | C34 | C33 | H23 | 50.5° | 178.7° |
| C30 | C34 | C33 | H24 | 171.6° | 60.9° |
| C30 | C34 | C36 | H28 | 159.2° | 178.9° |
| C36 | C35 | N31 | C32 | 46.2° | 62.1° |
| C36 | C35 | N31 | H26 | 120.0° | 120.0° |
| C36 | C35 | N31 | H27 | 120.0° | 120.0° |
| C36 | C35 | N31 | C14 | 76.1° | 62.0° |
| C35 | C36 | C34 | H25 | 166.2° | 179.6° |
| C36 | C35 | H26 | H27 | 119.9° | 120.0° |
| C35 | C36 | C37 | H29 | 96.1° | 59.4° |
| C33 | C32 | N31 | H21 | 120.0° | 120.0° |
| C33 | C32 | N31 | H22 | 120.0° | 120.0° |
| C33 | C32 | N31 | C35 | 77.1° | 62.1° |
| C33 | C32 | N31 | C14 | 48.0° | 61.9° |
| C33 | C32 | H21 | H22 | 120.0° | 120.1° |
| C32 | C33 | H23 | H24 | 121.6° | 120.2° |
| C32 | C33 | C34 | H25 | 167.2° | 179.9° |
| C30 | C14 | N31 | C32 | 82.8° | 62.0° |
| C30 | C14 | N31 | C35 | 40.5° | 62.0° |
| C30 | C14 | N31 | C13 | 128.5° | 120.0° |
| C30 | C14 | N31 | H13 | 112.6° | 120.0° |
| C30 | C14 | C13 | H13 | 116.3° | 120.1° |
| C30 | C14 | C13 | C05 | 17.0° | 175.5° |
| C30 | C14 | C13 | O15 | 118.0° | 64.5° |
| C30 | C14 | C13 | H2 | 126.4° | 55.5° |
| C14 | C30 | H19 | H20 | 121.0° | 120.3° |
| C14 | C30 | C34 | H25 | 160.4° | 179.6° |
| C26 | C27 | C28 | H17 | 180.0° | 179.7° |
| C27 | C26 | C25 | H5 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 0.6° | 0.3° |
| C27 | C26 | C25 | C24 | 0.2° | 0.0° |
| C26 | C27 | C28 | H6 | 179.4° | 179.8° |
| C27 | C26 | C25 | H16 | 179.8° | 179.9° |
| C28 | C27 | C26 | C25 | 0.4° | 0.3° |
| C27 | C28 | C29 | H6 | 180.0° | 179.9° |
| C27 | C28 | C29 | C24 | 0.3° | 0.0° |
| C28 | C27 | C26 | H5 | 179.6° | 179.7° |
| C27 | C28 | C29 | H18 | 179.7° | 180.0° |
| C26 | C25 | C24 | H16 | 180.0° | 179.9° |
| C26 | C25 | C24 | C29 | 0.5° | 0.3° |
| C26 | C25 | C24 | N23 | 178.0° | 180.0° |
| C25 | C26 | C27 | H17 | 179.6° | 180.0° |
| C28 | C29 | C24 | C25 | 0.3° | 0.3° |
| C28 | C29 | C24 | H18 | 180.0° | 179.9° |
| C28 | C29 | C24 | N23 | 178.0° | 180.0° |
| C29 | C28 | C27 | H17 | 179.4° | 180.0° |
| C32 | N31 | C35 | C14 | 122.3° | 124.0° |
| C32 | N31 | C14 | C13 | 148.6° | 178.0° |
| C32 | N31 | C14 | H13 | 29.8° | 58.0° |
| N31 | C32 | H21 | H22 | 120.0° | 120.0° |
| N31 | C32 | C33 | H23 | 90.1° | 119.8° |
| N31 | C32 | C33 | H24 | 148.8° | 119.9° |
| C32 | N31 | C35 | H26 | 73.8° | 57.9° |
| C32 | N31 | C35 | H27 | 166.2° | 177.9° |
| C08 | C07 | C03 | H8 | 180.0° | 179.7° |
| C07 | C08 | C09 | H9 | 180.0° | 179.7° |
| C08 | C07 | C03 | N02 | 179.9° | 179.8° |
| C08 | C07 | C03 | C04 | 0.3° | 0.3° |
| C07 | C08 | C09 | O11 | 179.8° | 180.0° |
| C07 | C08 | C09 | C10 | 0.2° | 0.0° |
| C03 | C07 | C08 | C09 | 0.2° | 0.3° |
| C07 | C03 | N02 | C04 | 179.5° | 179.9° |
| C07 | C03 | N02 | C01 | 180.0° | 180.0° |
| C07 | C03 | C04 | C10 | 0.8° | 0.0° |
| C07 | C03 | C04 | C05 | 179.6° | 180.0° |
| C03 | C07 | C08 | H9 | 179.8° | 180.0° |
| C35 | N31 | C14 | C13 | 88.1° | 58.0° |
| C35 | N31 | C14 | H13 | 153.1° | 178.0° |
| C35 | N31 | C32 | H21 | 162.9° | 177.9° |
| C35 | N31 | C32 | H22 | 42.9° | 57.9° |
| N31 | C35 | H26 | H27 | 120.0° | 120.1° |
| N31 | C35 | C36 | H28 | 89.3° | 119.9° |
| C08 | C09 | O11 | C10 | 179.6° | 180.0° |
| C08 | C09 | O11 | C12 | 172.1° | 0.1° |
| C08 | C09 | C10 | C04 | 0.3° | 0.3° |
| C08 | C09 | C10 | H1 | 179.7° | 179.9° |
| C09 | C08 | C07 | H8 | 179.8° | 180.0° |
| C25 | C24 | C29 | N23 | 177.7° | 179.7° |
| C25 | C24 | N23 | N22 | 9.1° | 180.0° |
| C24 | C25 | C26 | H5 | 179.8° | 180.0° |
| C25 | C24 | C29 | H18 | 179.7° | 179.8° |
| C25 | C24 | N23 | H33 | 132.5° | 0.0° |
| C03 | N02 | C01 | C06 | 0.6° | 0.0° |
| N02 | C03 | C04 | C10 | 179.6° | 180.0° |
| N02 | C03 | C04 | C05 | 0.9° | 0.0° |
| C03 | N02 | C01 | H7 | 179.4° | 180.0° |
| N02 | C03 | C07 | H8 | 0.1° | 0.1° |
| C01 | N02 | C03 | C04 | 0.5° | 0.1° |
| N02 | C01 | C06 | H7 | 180.0° | 180.0° |
| N02 | C01 | C06 | C05 | 1.3° | 0.0° |
| N02 | C01 | C06 | C16 | 177.7° | 180.0° |
| C03 | C04 | C10 | C09 | 0.8° | 0.3° |
| C03 | C04 | C10 | C05 | 178.7° | 180.0° |
| C03 | C04 | C05 | C06 | 0.2° | 0.0° |
| C03 | C04 | C05 | C13 | 178.6° | 180.0° |
| C03 | C04 | C10 | H1 | 179.2° | 179.9° |
| C04 | C03 | C07 | H8 | 179.6° | 180.0° |
| N31 | C14 | C13 | H13 | 121.1° | 120.0° |
| N31 | C14 | C13 | C05 | 139.6° | 55.6° |
| N31 | C14 | C13 | O15 | 4.6° | 175.6° |
| N31 | C14 | C13 | H2 | 111.0° | 64.4° |
| N31 | C14 | C30 | H19 | 84.9° | 119.8° |
| N31 | C14 | C30 | H20 | 154.4° | 119.9° |
| C14 | N31 | C32 | H21 | 72.1° | 58.0° |
| C14 | N31 | C32 | H22 | 168.0° | 178.0° |
| C14 | N31 | C35 | H26 | 163.9° | 178.1° |
| C14 | N31 | C35 | H27 | 43.9° | 58.0° |
| C14 | C13 | C05 | C04 | 89.5° | 114.8° |
| C14 | C13 | C05 | C06 | 89.3° | 65.1° |
| C14 | C13 | C05 | O15 | 135.8° | 120.0° |
| C14 | C13 | C05 | H2 | 109.2° | 120.0° |
| C14 | C13 | O15 | H2 | 114.2° | 120.0° |
| C13 | C14 | C30 | H19 | 43.6° | 120.2° |
| C13 | C14 | C30 | H20 | 77.1° | 0.0° |
| C14 | C13 | O15 | H35 | 180.0° | 43.3° |
| O11 | C09 | C10 | C04 | 179.3° | 179.8° |
| O11 | C09 | C10 | H1 | 0.7° | 0.1° |
| O11 | C09 | C08 | H9 | 0.2° | 0.2° |
| C09 | O11 | C12 | H10 | 180.0° | 180.0° |
| C09 | O11 | C12 | H11 | 60.0° | 60.1° |
| C09 | O11 | C12 | H12 | 60.0° | 60.0° |
| C10 | C09 | O11 | C12 | 8.4° | 180.0° |
| C09 | C10 | C04 | H1 | 180.0° | 179.7° |
| C09 | C10 | C04 | C05 | 179.6° | 179.8° |
| C10 | C09 | C08 | H9 | 179.8° | 179.7° |
| C01 | C06 | C16 | C18 | 41.6° | 93.0° |
| C01 | C06 | C05 | C04 | 0.8° | 0.0° |
| C01 | C06 | C05 | C16 | 175.8° | 180.0° |
| C01 | C06 | C05 | C13 | 179.7° | 180.0° |
| C01 | C06 | C16 | C17 | 130.6° | 87.0° |
| C19 | C18 | C16 | H14 | 180.0° | 179.7° |
| C18 | C19 | C20 | H15 | 180.0° | 179.8° |
| C19 | C18 | C16 | C06 | 177.8° | 180.0° |
| C19 | C18 | C16 | C17 | 5.1° | 0.0° |
| C18 | C19 | C20 | N22 | 177.3° | 180.0° |
| C18 | C19 | C20 | C21 | 4.7° | 0.5° |
| C16 | C18 | C19 | C20 | 5.3° | 0.3° |
| C18 | C16 | C06 | C05 | 142.3° | 87.1° |
| C18 | C16 | C06 | C17 | 172.1° | 180.0° |
| C18 | C16 | C17 | C21 | 4.8° | 0.1° |
| C18 | C16 | C17 | H3 | 175.2° | 179.7° |
| C16 | C18 | C19 | H15 | 174.7° | 180.0° |
| O11 | C12 | H10 | H11 | 120.0° | 120.0° |
| O11 | C12 | H10 | H12 | 120.0° | 120.0° |
| O11 | C12 | H11 | H12 | 120.0° | 120.0° |
| C29 | C24 | N23 | N22 | 173.4° | 0.3° |
| C24 | C29 | C28 | H6 | 179.7° | 179.9° |
| C29 | C24 | C25 | H16 | 179.5° | 179.7° |
| C29 | C24 | N23 | H33 | 50.1° | 179.7° |
| C10 | C04 | C05 | C06 | 178.9° | 180.0° |
| C10 | C04 | C05 | C13 | 0.1° | 0.0° |
| C04 | C05 | C06 | C13 | 178.9° | 180.0° |
| C04 | C05 | C06 | C16 | 176.7° | 180.0° |
| C04 | C05 | C13 | O15 | 46.3° | 125.1° |
| C05 | C04 | C10 | H1 | 0.4° | 0.1° |
| C04 | C05 | C13 | H2 | 161.3° | 5.2° |
| C19 | C20 | N22 | N23 | 12.5° | 0.5° |
| C19 | C20 | N22 | C21 | 172.5° | 179.5° |
| C19 | C20 | C21 | C17 | 4.3° | 0.5° |
| C19 | C20 | C21 | H4 | 175.7° | 179.4° |
| C20 | C19 | C18 | H14 | 174.7° | 180.0° |
| C19 | C20 | N22 | H32 | 135.8° | 179.5° |
| C24 | N23 | N22 | H33 | 123.3° | 180.0° |
| C24 | N23 | N22 | C20 | 16.1° | 180.0° |
| N23 | C24 | C25 | H16 | 2.0° | 0.1° |
| N23 | C24 | C29 | H18 | 2.0° | 0.1° |
| C24 | N23 | N22 | H32 | 107.2° | 0.0° |
| C05 | C06 | C16 | C17 | 45.5° | 93.0° |
| C06 | C05 | C13 | O15 | 134.9° | 54.9° |
| C06 | C05 | C13 | H2 | 19.9° | 174.9° |
| C05 | C06 | C01 | H7 | 178.7° | 180.0° |
| C16 | C06 | C05 | C13 | 4.4° | 0.0° |
| C06 | C16 | C17 | C21 | 176.9° | 180.0° |
| C06 | C16 | C17 | H3 | 3.1° | 0.3° |
| C16 | C06 | C01 | H7 | 2.2° | 0.0° |
| C06 | C16 | C18 | H14 | 2.2° | 0.3° |
| C05 | C13 | O15 | H2 | 113.7° | 120.0° |
| C05 | C13 | C14 | H13 | 99.3° | 64.4° |
| C05 | C13 | O15 | H35 | 47.9° | 76.7° |
| C16 | C17 | C21 | C20 | 4.5° | 0.2° |
| C16 | C17 | C21 | H3 | 180.0° | 179.8° |
| C16 | C17 | C21 | H4 | 175.5° | 179.7° |
| C17 | C16 | C18 | H14 | 174.9° | 179.7° |
| O15 | C13 | C14 | H13 | 125.6° | 55.6° |
| N23 | N22 | C20 | H32 | 123.3° | 180.0° |
| N23 | N22 | C20 | C21 | 175.0° | 180.0° |
| N22 | C20 | C21 | C17 | 177.1° | 180.0° |
| N22 | C20 | C21 | H4 | 2.9° | 0.1° |
| N22 | C20 | C19 | H15 | 2.7° | 0.3° |
| C20 | N22 | N23 | H33 | 139.5° | 0.0° |
| C20 | C21 | C17 | H4 | 180.0° | 179.9° |
| C20 | C21 | C17 | H3 | 175.5° | 180.0° |
| C21 | C20 | C19 | H15 | 175.3° | 179.7° |
| C21 | C20 | N22 | H32 | 51.7° | 0.0° |
| H2 | C13 | C14 | H13 | 10.1° | 175.6° |
| H2 | C13 | O15 | H35 | 65.8° | 163.3° |
| H3 | C17 | C21 | H4 | 4.5° | 0.1° |
| H5 | C26 | C25 | H16 | 0.2° | 0.0° |
| H5 | C26 | C27 | H17 | 0.4° | 0.0° |
| H6 | C28 | C27 | H17 | 0.6° | 0.1° |
| H6 | C28 | C29 | H18 | 0.3° | 0.0° |
| H8 | C07 | C08 | H9 | 0.2° | 0.3° |
| H10 | C12 | H11 | H12 | 120.0° | 120.0° |
| H13 | C14 | C30 | H19 | 159.7° | 0.2° |
| H13 | C14 | C30 | H20 | 39.1° | 120.1° |
| H14 | C18 | C19 | H15 | 5.3° | 0.2° |
| H19 | C30 | C34 | H25 | 79.9° | 60.7° |
| H20 | C30 | C34 | H25 | 40.7° | 59.6° |
| H21 | C32 | C33 | H23 | 29.9° | 120.2° |
| H21 | C32 | C33 | H24 | 91.2° | 0.1° |
| H22 | C32 | C33 | H23 | 149.9° | 0.1° |
| H22 | C32 | C33 | H24 | 28.8° | 120.2° |
| H23 | C33 | C34 | H25 | 73.4° | 60.2° |
| H24 | C33 | C34 | H25 | 47.7° | 60.2° |
| H25 | C34 | C36 | H28 | 75.7° | 60.5° |
| H26 | C35 | C36 | H28 | 30.7° | 0.1° |
| H27 | C35 | C36 | H28 | 150.6° | 120.1° |
| H28 | C36 | C37 | H29 | 145.1° | 179.7° |
| H29 | C37 | C38 | H30 | 0.0° | 180.0° |
| H29 | C37 | C38 | H31 | 180.0° | 0.0° |
| H32 | N22 | N23 | H33 | 16.2° | 180.0° |
