A1IZY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | C7 | sing | 1.39Å | 1.38Å | Aromatic |
| C2 | CL3 | sing | 1.74Å | 1.74Å | |
| C2 | N4 | sing | 1.32Å | 1.33Å | Aromatic |
| N4 | C5 | doub | 1.33Å | 1.34Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.38Å | Aromatic |
| C5 | N10 | sing | 1.36Å | 1.38Å | Aromatic |
| C6 | C7 | doub | 1.39Å | 1.38Å | Aromatic |
| C6 | O8 | sing | 1.35Å | 1.38Å | Aromatic |
| O8 | C9 | sing | 1.34Å | 1.37Å | Aromatic |
| C9 | N10 | doub | 1.31Å | 1.31Å | Aromatic |
| C9 | N32 | sing | 1.37Å | 1.33Å | |
| C11 | C33 | sing | 1.53Å | 1.52Å | |
| C11 | N29 | sing | 1.47Å | 1.47Å | |
| O12 | C28 | doub | 1.22Å | 1.22Å | |
| O13 | C25 | sing | 1.35Å | 1.38Å | Aromatic |
| O13 | C20 | sing | 1.35Å | 1.37Å | Aromatic |
| C14 | C19 | sing | 1.40Å | 1.40Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C34 | sing | 1.51Å | 1.52Å | |
| C15 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | N17 | doub | 1.32Å | 1.33Å | Aromatic |
| N17 | C18 | sing | 1.32Å | 1.34Å | Aromatic |
| C18 | C19 | doub | 1.40Å | 1.40Å | Aromatic |
| C19 | C20 | sing | 1.48Å | 1.47Å | |
| C20 | N21 | doub | 1.31Å | 1.30Å | Aromatic |
| N21 | C24 | sing | 1.35Å | 1.40Å | Aromatic |
| C22 | C27 | sing | 1.40Å | 1.41Å | Aromatic |
| C22 | C23 | doub | 1.36Å | 1.39Å | Aromatic |
| C23 | C24 | sing | 1.40Å | 1.39Å | Aromatic |
| C24 | C25 | doub | 1.41Å | 1.38Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.37Å | Aromatic |
| C26 | C27 | doub | 1.40Å | 1.39Å | Aromatic |
| C27 | C28 | sing | 1.48Å | 1.50Å | |
| C28 | N29 | sing | 1.35Å | 1.36Å | |
| N29 | C30 | sing | 1.47Å | 1.47Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C31 | N32 | sing | 1.47Å | 1.47Å | |
| N32 | C33 | sing | 1.47Å | 1.46Å | |
| C34 | C35 | sing | 1.54Å | 1.54Å | |
| C34 | C38 | sing | 1.55Å | 1.55Å | |
| C35 | C36 | sing | 1.54Å | 1.51Å | |
| C36 | C37 | sing | 1.54Å | 1.52Å | |
| C37 | C38 | sing | 1.55Å | 1.53Å | |
| C7 | H40 | sing | 1.08Å | 1.08Å | |
| C15 | H43 | sing | 1.08Å | 1.08Å | |
| C22 | H46 | sing | 1.08Å | 1.08Å | |
| C26 | H48 | sing | 1.08Å | 1.08Å | |
| C1 | H39 | sing | 1.08Å | 1.08Å | |
| C11 | H42 | sing | 1.09Å | 1.10Å | |
| C11 | H41 | sing | 1.09Å | 1.10Å | |
| C16 | H44 | sing | 1.08Å | 1.08Å | |
| C18 | H45 | sing | 1.08Å | 1.08Å | |
| C23 | H47 | sing | 1.08Å | 1.08Å | |
| C30 | H50 | sing | 1.09Å | 1.10Å | |
| C30 | H49 | sing | 1.09Å | 1.10Å | |
| C31 | H52 | sing | 1.09Å | 1.10Å | |
| C31 | H51 | sing | 1.09Å | 1.10Å | |
| C33 | H53 | sing | 1.09Å | 1.10Å | |
| C33 | H54 | sing | 1.09Å | 1.10Å | |
| C34 | H55 | sing | 1.09Å | 1.10Å | |
| C35 | H56 | sing | 1.09Å | 1.10Å | |
| C35 | H57 | sing | 1.09Å | 1.10Å | |
| C36 | H58 | sing | 1.09Å | 1.10Å | |
| C36 | H59 | sing | 1.09Å | 1.10Å | |
| C37 | H60 | sing | 1.09Å | 1.10Å | |
| C37 | H61 | sing | 1.09Å | 1.10Å | |
| C38 | H63 | sing | 1.09Å | 1.10Å | |
| C38 | H62 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C7 | 117.5° | 119.4° |
| C1 | C2 | CL3 | 118.8° | 119.4° |
| C1 | C2 | N4 | 126.1° | 121.3° |
| C2 | C1 | H39 | 121.3° | 120.2° |
| C1 | C7 | C6 | 116.8° | 118.3° |
| C1 | C7 | H40 | 121.6° | 120.8° |
| C7 | C1 | H39 | 121.3° | 120.3° |
| CL3 | C2 | N4 | 115.1° | 119.4° |
| C2 | N4 | C5 | 115.7° | 121.5° |
| N4 | C5 | C6 | 122.2° | 120.2° |
| N4 | C5 | N10 | 129.1° | 133.4° |
| C6 | C5 | N10 | 108.7° | 106.5° |
| C5 | C6 | C7 | 121.7° | 119.3° |
| C5 | C6 | O8 | 109.0° | 106.6° |
| C5 | N10 | C9 | 103.6° | 108.8° |
| C7 | C6 | O8 | 129.3° | 134.1° |
| C6 | C7 | H40 | 121.6° | 120.9° |
| C6 | O8 | C9 | 102.2° | 108.1° |
| O8 | C9 | N10 | 116.5° | 110.1° |
| O8 | C9 | N32 | 119.2° | 125.0° |
| N10 | C9 | N32 | 124.3° | 125.0° |
| C9 | N32 | C31 | 126.3° | 111.0° |
| C9 | N32 | C33 | 121.7° | 111.0° |
| C33 | C11 | N29 | 110.8° | 108.5° |
| C11 | C33 | N32 | 109.7° | 109.3° |
| C33 | C11 | H42 | 109.1° | 109.6° |
| C33 | C11 | H41 | 109.1° | 109.7° |
| C11 | C33 | H53 | 109.4° | 109.4° |
| C11 | C33 | H54 | 109.4° | 109.6° |
| C11 | N29 | C28 | 125.0° | 120.9° |
| C11 | N29 | C30 | 112.1° | 118.2° |
| N29 | C11 | H42 | 109.1° | 109.6° |
| N29 | C11 | H41 | 109.1° | 109.6° |
| O12 | C28 | C27 | 117.8° | 120.0° |
| O12 | C28 | N29 | 122.5° | 120.0° |
| C25 | O13 | C20 | 103.8° | 108.1° |
| O13 | C25 | C24 | 108.0° | 106.4° |
| O13 | C25 | C26 | 128.4° | 133.7° |
| O13 | C20 | C19 | 120.7° | 125.0° |
| O13 | C20 | N21 | 115.2° | 110.0° |
| C19 | C14 | C15 | 117.9° | 118.2° |
| C19 | C14 | C34 | 124.9° | 120.8° |
| C14 | C19 | C18 | 117.3° | 118.9° |
| C14 | C19 | C20 | 125.2° | 120.6° |
| C15 | C14 | C34 | 117.1° | 120.9° |
| C14 | C15 | C16 | 119.8° | 119.4° |
| C14 | C15 | H43 | 120.1° | 120.3° |
| C14 | C34 | C35 | 110.7° | 110.5° |
| C14 | C34 | C38 | 113.6° | 110.5° |
| C14 | C34 | H55 | 109.3° | 110.4° |
| C15 | C16 | N17 | 123.5° | 121.1° |
| C16 | C15 | H43 | 120.1° | 120.4° |
| C15 | C16 | H44 | 118.3° | 119.5° |
| C16 | N17 | C18 | 116.9° | 121.9° |
| N17 | C16 | H44 | 118.3° | 119.4° |
| N17 | C18 | C19 | 124.7° | 120.5° |
| N17 | C18 | H45 | 117.7° | 119.8° |
| C18 | C19 | C20 | 117.5° | 120.6° |
| C19 | C18 | H45 | 117.7° | 119.7° |
| C19 | C20 | N21 | 124.0° | 125.0° |
| C20 | N21 | C24 | 104.3° | 108.9° |
| N21 | C24 | C23 | 132.1° | 133.5° |
| N21 | C24 | C25 | 108.7° | 106.6° |
| C27 | C22 | C23 | 121.2° | 120.4° |
| C22 | C27 | C26 | 119.7° | 120.2° |
| C22 | C27 | C28 | 117.8° | 119.9° |
| C27 | C22 | H46 | 119.4° | 119.7° |
| C22 | C23 | C24 | 118.6° | 120.1° |
| C23 | C22 | H46 | 119.4° | 119.9° |
| C22 | C23 | H47 | 120.7° | 120.0° |
| C23 | C24 | C25 | 119.2° | 119.9° |
| C24 | C23 | H47 | 120.7° | 120.0° |
| C24 | C25 | C26 | 123.7° | 119.9° |
| C25 | C26 | C27 | 117.6° | 119.6° |
| C25 | C26 | H48 | 121.2° | 120.2° |
| C26 | C27 | C28 | 122.5° | 119.9° |
| C27 | C26 | H48 | 121.2° | 120.2° |
| C27 | C28 | N29 | 119.5° | 120.0° |
| C28 | N29 | C30 | 122.5° | 120.9° |
| N29 | C30 | C31 | 111.0° | 108.5° |
| N29 | C30 | H50 | 109.1° | 109.6° |
| N29 | C30 | H49 | 109.1° | 109.8° |
| C30 | C31 | N32 | 110.0° | 109.4° |
| C31 | C30 | H50 | 109.1° | 109.6° |
| C31 | C30 | H49 | 109.1° | 109.6° |
| C30 | C31 | H52 | 109.4° | 109.5° |
| C30 | C31 | H51 | 109.4° | 109.6° |
| C31 | N32 | C33 | 111.4° | 111.3° |
| N32 | C31 | H52 | 109.3° | 109.5° |
| N32 | C31 | H51 | 109.3° | 109.5° |
| N32 | C33 | H53 | 109.4° | 109.5° |
| N32 | C33 | H54 | 109.4° | 109.5° |
| C35 | C34 | C38 | 105.1° | 104.2° |
| C34 | C35 | C36 | 104.4° | 106.6° |
| C35 | C34 | H55 | 109.0° | 110.5° |
| C34 | C35 | H56 | 110.7° | 110.0° |
| C34 | C35 | H57 | 110.7° | 110.0° |
| C34 | C38 | C37 | 105.9° | 102.7° |
| C38 | C34 | H55 | 109.0° | 110.6° |
| C34 | C38 | H63 | 110.4° | 110.8° |
| C34 | C38 | H62 | 110.3° | 110.7° |
| C35 | C36 | C37 | 105.4° | 106.6° |
| C36 | C35 | H56 | 110.7° | 110.0° |
| C36 | C35 | H57 | 110.7° | 110.0° |
| C35 | C36 | H58 | 110.4° | 110.1° |
| C35 | C36 | H59 | 110.5° | 110.0° |
| C36 | C37 | C38 | 107.2° | 104.2° |
| C37 | C36 | H58 | 110.5° | 110.0° |
| C37 | C36 | H59 | 110.5° | 110.0° |
| C36 | C37 | H60 | 110.0° | 110.5° |
| C36 | C37 | H61 | 110.1° | 110.5° |
| C38 | C37 | H60 | 110.0° | 110.5° |
| C38 | C37 | H61 | 110.0° | 110.5° |
| C37 | C38 | H63 | 110.3° | 110.7° |
| C37 | C38 | H62 | 110.4° | 110.8° |
| H42 | C11 | H41 | 109.5° | 109.9° |
| H50 | C30 | H49 | 109.4° | 109.6° |
| H52 | C31 | H51 | 109.5° | 109.5° |
| H53 | C33 | H54 | 109.4° | 109.5° |
| H56 | C35 | H57 | 109.5° | 110.0° |
| H58 | C36 | H59 | 109.5° | 110.1° |
| H60 | C37 | H61 | 109.5° | 110.5° |
| H63 | C38 | H62 | 109.5° | 110.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C7 | H39 | 180.0° | 179.7° |
| C1 | C2 | CL3 | N4 | 180.0° | 179.7° |
| C1 | C2 | N4 | C5 | 0.1° | 0.5° |
| C2 | C1 | C7 | C6 | 0.1° | 0.0° |
| C2 | C1 | C7 | H40 | 179.9° | 180.0° |
| C7 | C1 | C2 | CL3 | 179.9° | 180.0° |
| C7 | C1 | C2 | N4 | 0.0° | 0.3° |
| C1 | C7 | C6 | C5 | 0.1° | 0.0° |
| C1 | C7 | C6 | H40 | 180.0° | 180.0° |
| C1 | C7 | C6 | O8 | 180.0° | 179.9° |
| CL3 | C2 | N4 | C5 | 179.8° | 179.8° |
| CL3 | C2 | C1 | H39 | 0.0° | 0.3° |
| C2 | N4 | C5 | C6 | 0.1° | 0.4° |
| C2 | N4 | C5 | N10 | 180.0° | 179.8° |
| N4 | C2 | C1 | H39 | 180.0° | 180.0° |
| N4 | C5 | C6 | N10 | 179.9° | 179.8° |
| N4 | C5 | C6 | C7 | 0.0° | 0.2° |
| N4 | C5 | C6 | O8 | 179.9° | 179.8° |
| N4 | C5 | N10 | C9 | 179.9° | 179.8° |
| C5 | C6 | C7 | O8 | 179.9° | 179.9° |
| C5 | C6 | O8 | C9 | 0.0° | 0.1° |
| C6 | C5 | N10 | C9 | 0.0° | 0.0° |
| C5 | C6 | C7 | H40 | 179.9° | 179.9° |
| N10 | C5 | C6 | C7 | 179.9° | 180.0° |
| N10 | C5 | C6 | O8 | 0.0° | 0.0° |
| C5 | N10 | C9 | O8 | 0.0° | 0.0° |
| C5 | N10 | C9 | N32 | 179.8° | 180.0° |
| C7 | C6 | O8 | C9 | 179.9° | 180.0° |
| C6 | C7 | C1 | H39 | 179.9° | 179.8° |
| C6 | O8 | C9 | N10 | 0.0° | 0.1° |
| C6 | O8 | C9 | N32 | 179.8° | 180.0° |
| O8 | C6 | C7 | H40 | 0.0° | 0.0° |
| O8 | C9 | N10 | N32 | 179.8° | 179.9° |
| O8 | C9 | N32 | C31 | 177.1° | 179.9° |
| O8 | C9 | N32 | C33 | 12.2° | 55.8° |
| N10 | C9 | N32 | C31 | 3.2° | 0.0° |
| N10 | C9 | N32 | C33 | 167.5° | 124.3° |
| C9 | N32 | C33 | C11 | 112.3° | 172.7° |
| C9 | N32 | C31 | C30 | 113.1° | 172.8° |
| C9 | N32 | C31 | C33 | 171.5° | 124.2° |
| C9 | N32 | C31 | H52 | 7.0° | 67.3° |
| C9 | N32 | C31 | H51 | 126.8° | 52.7° |
| C9 | N32 | C33 | H53 | 127.6° | 52.8° |
| C9 | N32 | C33 | H54 | 7.7° | 67.2° |
| C33 | C11 | N29 | H42 | 120.2° | 119.6° |
| C33 | C11 | N29 | H41 | 120.2° | 119.7° |
| C33 | C11 | N29 | C28 | 131.1° | 128.8° |
| C33 | C11 | N29 | C30 | 55.0° | 51.2° |
| C11 | C33 | N32 | C31 | 59.7° | 63.1° |
| C11 | C33 | N32 | H53 | 120.0° | 119.9° |
| C11 | C33 | N32 | H54 | 120.1° | 120.1° |
| C33 | C11 | H42 | H41 | 119.4° | 120.6° |
| C11 | C33 | H53 | H54 | 119.9° | 120.1° |
| C11 | N29 | C28 | O12 | 171.0° | 4.0° |
| C11 | N29 | C28 | C27 | 3.5° | 176.0° |
| C11 | N29 | C28 | C30 | 173.3° | 180.0° |
| C11 | N29 | C30 | C31 | 53.7° | 51.2° |
| N29 | C11 | C33 | N32 | 57.1° | 53.9° |
| N29 | C11 | H42 | H41 | 119.4° | 120.5° |
| C11 | N29 | C30 | H50 | 66.6° | 68.5° |
| C11 | N29 | C30 | H49 | 173.9° | 171.0° |
| N29 | C11 | C33 | H53 | 62.9° | 173.8° |
| N29 | C11 | C33 | H54 | 177.1° | 66.2° |
| O12 | C28 | C27 | C22 | 51.0° | 40.3° |
| O12 | C28 | C27 | C26 | 128.9° | 139.6° |
| O12 | C28 | C27 | N29 | 174.7° | 180.0° |
| O12 | C28 | N29 | C30 | 2.3° | 176.0° |
| C25 | O13 | C20 | C19 | 179.8° | 179.8° |
| C25 | O13 | C20 | N21 | 0.0° | 0.1° |
| O13 | C25 | C24 | N21 | 0.0° | 0.3° |
| O13 | C25 | C24 | C23 | 180.0° | 179.9° |
| O13 | C25 | C24 | C26 | 179.9° | 179.9° |
| O13 | C25 | C26 | C27 | 180.0° | 179.9° |
| O13 | C25 | C26 | H48 | 0.1° | 0.2° |
| O13 | C20 | C19 | C14 | 163.5° | 132.9° |
| O13 | C20 | C19 | C18 | 16.8° | 47.1° |
| O13 | C20 | C19 | N21 | 179.8° | 179.6° |
| O13 | C20 | N21 | C24 | 0.1° | 0.3° |
| C20 | O13 | C25 | C24 | 0.0° | 0.2° |
| C20 | O13 | C25 | C26 | 179.9° | 179.7° |
| C19 | C14 | C15 | C34 | 179.9° | 180.0° |
| C19 | C14 | C15 | C16 | 0.1° | 0.0° |
| C14 | C19 | C18 | N17 | 0.2° | 0.3° |
| C14 | C19 | C18 | C20 | 179.8° | 180.0° |
| C14 | C19 | C20 | N21 | 16.7° | 47.5° |
| C19 | C14 | C34 | C35 | 110.3° | 114.8° |
| C19 | C14 | C34 | C38 | 131.7° | 130.4° |
| C19 | C14 | C15 | H43 | 179.9° | 179.7° |
| C14 | C19 | C18 | H45 | 179.8° | 180.0° |
| C19 | C14 | C34 | H55 | 9.8° | 7.8° |
| C14 | C15 | C16 | H43 | 180.0° | 179.7° |
| C14 | C15 | C16 | N17 | 0.1° | 0.3° |
| C15 | C14 | C19 | C18 | 0.2° | 0.0° |
| C15 | C14 | C19 | C20 | 179.9° | 180.0° |
| C15 | C14 | C34 | C35 | 69.5° | 65.2° |
| C15 | C14 | C34 | C38 | 48.4° | 49.6° |
| C14 | C15 | C16 | H44 | 179.9° | 179.7° |
| C15 | C14 | C34 | H55 | 170.4° | 172.3° |
| C34 | C14 | C15 | C16 | 180.0° | 180.0° |
| C34 | C14 | C19 | C18 | 180.0° | 180.0° |
| C34 | C14 | C19 | C20 | 0.2° | 0.1° |
| C14 | C34 | C35 | C38 | 123.0° | 118.7° |
| C14 | C34 | C35 | H55 | 120.3° | 122.5° |
| C14 | C34 | C38 | H55 | 122.1° | 122.5° |
| C14 | C34 | C35 | C36 | 155.0° | 142.3° |
| C14 | C34 | C38 | C37 | 138.3° | 156.7° |
| C34 | C14 | C15 | H43 | 0.0° | 0.3° |
| C14 | C34 | C35 | H56 | 35.8° | 23.0° |
| C14 | C34 | C35 | H57 | 85.8° | 98.4° |
| C14 | C34 | C38 | H63 | 102.2° | 85.1° |
| C14 | C34 | C38 | H62 | 18.9° | 38.3° |
| C15 | C16 | N17 | H44 | 180.0° | 179.9° |
| C15 | C16 | N17 | C18 | 0.1° | 0.7° |
| C16 | N17 | C18 | C19 | 0.2° | 0.6° |
| N17 | C16 | C15 | H43 | 179.9° | 180.0° |
| C16 | N17 | C18 | H45 | 179.8° | 179.7° |
| N17 | C18 | C19 | H45 | 180.0° | 179.7° |
| N17 | C18 | C19 | C20 | 180.0° | 179.7° |
| C18 | N17 | C16 | H44 | 179.9° | 179.4° |
| C18 | C19 | C20 | N21 | 163.0° | 132.5° |
| C19 | C20 | N21 | C24 | 179.9° | 180.0° |
| C20 | C19 | C18 | H45 | 0.0° | 0.0° |
| C20 | N21 | C24 | C23 | 180.0° | 179.9° |
| C20 | N21 | C24 | C25 | 0.0° | 0.4° |
| N21 | C24 | C23 | C22 | 180.0° | 179.5° |
| N21 | C24 | C23 | C25 | 180.0° | 179.5° |
| N21 | C24 | C25 | C26 | 180.0° | 179.6° |
| N21 | C24 | C23 | H47 | 0.0° | 0.5° |
| C27 | C22 | C23 | H46 | 180.0° | 180.0° |
| C27 | C22 | C23 | C24 | 0.0° | 0.0° |
| C22 | C27 | C26 | C25 | 0.1° | 0.0° |
| C22 | C27 | C26 | C28 | 179.9° | 179.9° |
| C22 | C27 | C28 | N29 | 123.8° | 139.7° |
| C22 | C27 | C26 | H48 | 179.8° | 179.9° |
| C27 | C22 | C23 | H47 | 179.9° | 180.0° |
| C22 | C23 | C24 | H47 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 0.0° | 0.0° |
| C23 | C22 | C27 | C26 | 0.1° | 0.0° |
| C23 | C22 | C27 | C28 | 180.0° | 179.9° |
| C23 | C24 | C25 | C26 | 0.1° | 0.0° |
| C24 | C23 | C22 | H46 | 179.9° | 179.9° |
| C24 | C25 | C26 | C27 | 0.1° | 0.0° |
| C24 | C25 | C26 | H48 | 179.9° | 180.0° |
| C25 | C24 | C23 | H47 | 180.0° | 180.0° |
| C25 | C26 | C27 | H48 | 180.0° | 179.9° |
| C25 | C26 | C27 | C28 | 180.0° | 179.9° |
| C26 | C27 | C28 | N29 | 56.3° | 40.4° |
| C26 | C27 | C22 | H46 | 179.9° | 179.9° |
| C27 | C28 | N29 | C30 | 176.8° | 4.0° |
| C28 | C27 | C22 | H46 | 0.0° | 0.0° |
| C28 | C27 | C26 | H48 | 0.0° | 0.0° |
| C28 | N29 | C30 | C31 | 132.2° | 128.8° |
| C28 | N29 | C11 | H42 | 108.7° | 9.1° |
| C28 | N29 | C11 | H41 | 11.0° | 111.5° |
| C28 | N29 | C30 | H50 | 107.5° | 111.5° |
| C28 | N29 | C30 | H49 | 12.0° | 9.0° |
| N29 | C30 | C31 | H50 | 120.3° | 119.7° |
| N29 | C30 | C31 | H49 | 120.3° | 119.9° |
| N29 | C30 | C31 | N32 | 54.6° | 53.8° |
| C30 | N29 | C11 | H42 | 65.2° | 170.8° |
| C30 | N29 | C11 | H41 | 175.1° | 68.5° |
| N29 | C30 | H50 | H49 | 119.3° | 120.6° |
| N29 | C30 | C31 | H52 | 174.7° | 66.1° |
| N29 | C30 | C31 | H51 | 65.4° | 173.8° |
| C30 | C31 | N32 | H52 | 120.1° | 120.0° |
| C30 | C31 | N32 | H51 | 120.1° | 120.1° |
| C30 | C31 | N32 | C33 | 58.5° | 63.1° |
| C31 | C30 | H50 | H49 | 119.3° | 120.3° |
| C30 | C31 | H52 | H51 | 119.8° | 120.1° |
| N32 | C31 | C30 | H50 | 65.6° | 65.9° |
| N32 | C31 | C30 | H49 | 174.9° | 173.7° |
| N32 | C31 | H52 | H51 | 119.7° | 120.0° |
| C31 | N32 | C33 | H53 | 60.4° | 177.0° |
| C31 | N32 | C33 | H54 | 179.7° | 56.9° |
| N32 | C33 | C11 | H42 | 63.1° | 173.5° |
| N32 | C33 | C11 | H41 | 177.3° | 65.8° |
| C33 | N32 | C31 | H52 | 178.5° | 56.9° |
| C33 | N32 | C31 | H51 | 61.6° | 176.9° |
| N32 | C33 | H53 | H54 | 119.9° | 120.1° |
| C35 | C34 | C38 | H55 | 116.8° | 118.7° |
| C34 | C35 | C36 | H56 | 119.2° | 119.3° |
| C34 | C35 | C36 | H57 | 119.2° | 119.3° |
| C34 | C35 | C36 | C37 | 34.5° | 0.0° |
| C35 | C34 | C38 | C37 | 17.2° | 37.9° |
| C34 | C35 | H56 | H57 | 122.4° | 121.4° |
| C34 | C35 | C36 | H58 | 153.9° | 119.3° |
| C34 | C35 | C36 | H59 | 84.9° | 119.3° |
| C35 | C34 | C38 | H63 | 136.7° | 156.2° |
| C35 | C34 | C38 | H62 | 102.2° | 80.4° |
| C38 | C34 | C35 | C36 | 32.0° | 23.6° |
| C34 | C38 | C37 | C36 | 3.8° | 37.9° |
| C34 | C38 | C37 | H63 | 119.5° | 118.3° |
| C34 | C38 | C37 | H62 | 119.4° | 118.3° |
| C38 | C34 | C35 | H56 | 87.2° | 95.7° |
| C38 | C34 | C35 | H57 | 151.2° | 142.9° |
| C34 | C38 | C37 | H60 | 115.8° | 156.6° |
| C34 | C38 | C37 | H61 | 123.5° | 80.8° |
| C34 | C38 | H63 | H62 | 121.6° | 123.3° |
| C35 | C36 | C37 | H58 | 119.3° | 119.3° |
| C35 | C36 | C37 | H59 | 119.4° | 119.3° |
| C35 | C36 | C37 | C38 | 23.9° | 23.6° |
| C36 | C35 | C34 | H55 | 84.7° | 95.2° |
| C36 | C35 | H56 | H57 | 122.4° | 121.4° |
| C35 | C36 | H58 | H59 | 121.8° | 121.4° |
| C35 | C36 | C37 | H60 | 95.7° | 142.3° |
| C35 | C36 | C37 | H61 | 143.6° | 95.1° |
| C36 | C37 | C38 | H60 | 119.6° | 118.7° |
| C36 | C37 | C38 | H61 | 119.7° | 118.7° |
| C37 | C36 | C35 | H56 | 84.7° | 119.3° |
| C37 | C36 | C35 | H57 | 153.7° | 119.3° |
| C37 | C36 | H58 | H59 | 121.9° | 121.4° |
| C36 | C37 | H60 | H61 | 121.1° | 122.6° |
| C36 | C37 | C38 | H63 | 115.7° | 156.2° |
| C36 | C37 | C38 | H62 | 123.2° | 80.4° |
| C37 | C38 | C34 | H55 | 99.5° | 80.8° |
| C38 | C37 | C36 | H58 | 143.3° | 95.7° |
| C38 | C37 | C36 | H59 | 95.5° | 142.9° |
| C38 | C37 | H60 | H61 | 121.0° | 122.6° |
| C37 | C38 | H63 | H62 | 121.6° | 123.4° |
| H40 | C7 | C1 | H39 | 0.1° | 0.3° |
| H43 | C15 | C16 | H44 | 0.1° | 0.0° |
| H46 | C22 | C23 | H47 | 0.1° | 0.1° |
| H42 | C11 | C33 | H53 | 176.9° | 66.6° |
| H42 | C11 | C33 | H54 | 56.9° | 53.5° |
| H41 | C11 | C33 | H53 | 57.3° | 54.1° |
| H41 | C11 | C33 | H54 | 62.7° | 174.1° |
| H50 | C30 | C31 | H52 | 54.5° | 174.2° |
| H50 | C30 | C31 | H51 | 174.3° | 54.1° |
| H49 | C30 | C31 | H52 | 65.0° | 53.8° |
| H49 | C30 | C31 | H51 | 54.8° | 66.3° |
| H55 | C34 | C35 | H56 | 156.1° | 145.5° |
| H55 | C34 | C35 | H57 | 34.5° | 24.1° |
| H55 | C34 | C38 | H63 | 19.9° | 37.5° |
| H55 | C34 | C38 | H62 | 141.0° | 160.9° |
| H56 | C35 | C36 | H58 | 34.7° | 0.0° |
| H56 | C35 | C36 | H59 | 156.0° | 121.4° |
| H57 | C35 | C36 | H58 | 86.9° | 121.4° |
| H57 | C35 | C36 | H59 | 34.3° | 0.0° |
| H58 | C36 | C37 | H60 | 23.6° | 23.0° |
| H58 | C36 | C37 | H61 | 97.1° | 145.6° |
| H59 | C36 | C37 | H60 | 144.9° | 98.4° |
| H59 | C36 | C37 | H61 | 24.2° | 24.2° |
| H60 | C37 | C38 | H63 | 124.7° | 85.1° |
| H60 | C37 | C38 | H62 | 3.6° | 38.3° |
| H61 | C37 | C38 | H63 | 4.0° | 37.5° |
| H61 | C37 | C38 | H62 | 117.1° | 160.9° |
