YPK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C32 | N30 | sing | 1.47Å | 1.49Å | |
| N30 | C29 | sing | 1.47Å | 1.51Å | |
| N30 | C33 | sing | 1.47Å | 1.49Å | |
| C29 | C28 | sing | 1.53Å | 1.53Å | |
| C28 | C27 | sing | 1.53Å | 1.53Å | |
| C27 | C25 | sing | 1.51Å | 1.52Å | |
| C25 | N23 | sing | 1.35Å | 1.33Å | |
| C25 | O26 | doub | 1.21Å | 1.23Å | |
| C24 | N23 | sing | 1.47Å | 1.46Å | |
| C24 | C19 | sing | 1.55Å | 1.53Å | |
| N23 | C22 | sing | 1.47Å | 1.46Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| N6 | C5 | doub | 1.31Å | 1.32Å | Aromatic |
| N6 | N7 | sing | 1.40Å | 1.37Å | Aromatic |
| N9 | C10 | sing | 1.47Å | 1.45Å | |
| N9 | C8 | sing | 1.38Å | 1.34Å | |
| C12 | N13 | sing | 1.47Å | 1.47Å | |
| C5 | C4 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | C15 | sing | 1.53Å | 1.51Å | |
| N7 | C8 | sing | 1.37Å | 1.36Å | Aromatic |
| N7 | C38 | sing | 1.37Å | 1.38Å | Aromatic |
| C22 | C21 | sing | 1.54Å | 1.52Å | |
| C8 | C34 | doub | 1.37Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C19 | O18 | sing | 1.45Å | 1.44Å | |
| C19 | C21 | sing | 1.55Å | 1.54Å | |
| O18 | C16 | sing | 1.35Å | 1.38Å | |
| C4 | C38 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C2 | sing | 1.51Å | 1.51Å | |
| C38 | N37 | sing | 1.34Å | 1.36Å | Aromatic |
| N13 | C16 | sing | 1.35Å | 1.35Å | |
| N13 | C14 | sing | 1.47Å | 1.47Å | |
| C34 | C35 | sing | 1.40Å | 1.40Å | Aromatic |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C16 | O17 | doub | 1.22Å | 1.21Å | |
| C15 | C14 | sing | 1.53Å | 1.51Å | |
| N37 | C35 | doub | 1.32Å | 1.35Å | Aromatic |
| C35 | C36 | sing | 1.51Å | 1.50Å | |
| C1 | H40 | sing | 1.09Å | 1.10Å | |
| C1 | H41 | sing | 1.09Å | 1.10Å | |
| C1 | H39 | sing | 1.09Å | 1.10Å | |
| C2 | H42 | sing | 1.09Å | 1.10Å | |
| C3 | H44 | sing | 1.09Å | 1.10Å | |
| C3 | H45 | sing | 1.09Å | 1.10Å | |
| C3 | H43 | sing | 1.09Å | 1.10Å | |
| C5 | H46 | sing | 1.08Å | 1.08Å | |
| C10 | H48 | sing | 1.09Å | 1.10Å | |
| C11 | H50 | sing | 1.09Å | 1.10Å | |
| C11 | H49 | sing | 1.09Å | 1.10Å | |
| C12 | H52 | sing | 1.09Å | 1.10Å | |
| C12 | H51 | sing | 1.09Å | 1.10Å | |
| C14 | H54 | sing | 1.09Å | 1.10Å | |
| C14 | H53 | sing | 1.09Å | 1.10Å | |
| C15 | H56 | sing | 1.09Å | 1.10Å | |
| C15 | H55 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H57 | sing | 1.09Å | 1.10Å | |
| C21 | H58 | sing | 1.09Å | 1.10Å | |
| C22 | H60 | sing | 1.09Å | 1.10Å | |
| C22 | H59 | sing | 1.09Å | 1.10Å | |
| C24 | H61 | sing | 1.09Å | 1.10Å | |
| C24 | H62 | sing | 1.09Å | 1.10Å | |
| C27 | H63 | sing | 1.09Å | 1.10Å | |
| C28 | H64 | sing | 1.09Å | 1.10Å | |
| C36 | H75 | sing | 1.09Å | 1.10Å | |
| C36 | H74 | sing | 1.09Å | 1.10Å | |
| C36 | H76 | sing | 1.09Å | 1.10Å | |
| C29 | H66 | sing | 1.09Å | 1.10Å | |
| C29 | H65 | sing | 1.09Å | 1.10Å | |
| C32 | H69 | sing | 1.09Å | 1.10Å | |
| C32 | H67 | sing | 1.09Å | 1.10Å | |
| C32 | H68 | sing | 1.09Å | 1.10Å | |
| C33 | H70 | sing | 1.09Å | 1.10Å | |
| C33 | H71 | sing | 1.09Å | 1.10Å | |
| C33 | H72 | sing | 1.09Å | 1.10Å | |
| N9 | H47 | sing | 0.97Å | 1.00Å | |
| C34 | H73 | sing | 1.08Å | 1.08Å | |
| C27 | H1 | sing | 1.09Å | 1.10Å | |
| C28 | H2 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C32 | N30 | C29 | 111.4° | 111.0° |
| C32 | N30 | C33 | 110.6° | 111.0° |
| N30 | C32 | H69 | 109.5° | 109.4° |
| N30 | C32 | H67 | 109.5° | 109.4° |
| N30 | C32 | H68 | 109.5° | 109.4° |
| C29 | N30 | C33 | 112.9° | 111.0° |
| N30 | C29 | C28 | 114.2° | 109.5° |
| N30 | C29 | H66 | 108.3° | 109.5° |
| N30 | C29 | H65 | 108.3° | 109.5° |
| N30 | C33 | H70 | 109.5° | 109.5° |
| N30 | C33 | H71 | 109.5° | 109.4° |
| N30 | C33 | H72 | 109.4° | 109.5° |
| C29 | C28 | C27 | 112.2° | 109.5° |
| C29 | C28 | H64 | 108.8° | 109.5° |
| C28 | C29 | H66 | 108.3° | 109.5° |
| C28 | C29 | H65 | 108.3° | 109.4° |
| C29 | C28 | H2 | 108.8° | 109.4° |
| C28 | C27 | C25 | 112.9° | 109.4° |
| C28 | C27 | H63 | 108.6° | 109.5° |
| C27 | C28 | H64 | 108.8° | 109.5° |
| C28 | C27 | H1 | 108.6° | 109.5° |
| C27 | C28 | H2 | 108.8° | 109.5° |
| C27 | C25 | N23 | 117.3° | 120.0° |
| C27 | C25 | O26 | 121.0° | 120.0° |
| C25 | C27 | H63 | 108.6° | 109.5° |
| C25 | C27 | H1 | 108.6° | 109.4° |
| N23 | C25 | O26 | 121.7° | 120.0° |
| C25 | N23 | C24 | 122.3° | 125.7° |
| C25 | N23 | C22 | 121.0° | 125.6° |
| N23 | C24 | C19 | 101.8° | 104.8° |
| C24 | N23 | C22 | 109.9° | 108.7° |
| N23 | C24 | H61 | 111.3° | 110.3° |
| N23 | C24 | H62 | 111.3° | 110.4° |
| C24 | C19 | O18 | 108.9° | 111.0° |
| C24 | C19 | C21 | 106.2° | 101.5° |
| C24 | C19 | H20 | 111.0° | 111.0° |
| C19 | C24 | H61 | 111.3° | 110.4° |
| C19 | C24 | H62 | 111.3° | 110.4° |
| N23 | C22 | C21 | 103.2° | 107.3° |
| N23 | C22 | H60 | 111.0° | 109.8° |
| N23 | C22 | H59 | 111.0° | 110.0° |
| C12 | C11 | C10 | 110.2° | 109.2° |
| C11 | C12 | N13 | 111.2° | 108.8° |
| C12 | C11 | H50 | 109.3° | 109.5° |
| C12 | C11 | H49 | 109.3° | 109.5° |
| C11 | C12 | H52 | 109.0° | 109.6° |
| C11 | C12 | H51 | 109.0° | 109.6° |
| C11 | C10 | N9 | 111.4° | 109.4° |
| C11 | C10 | C15 | 109.1° | 109.6° |
| C11 | C10 | H48 | 107.5° | 109.4° |
| C10 | C11 | H50 | 109.3° | 109.5° |
| C10 | C11 | H49 | 109.3° | 109.5° |
| C5 | N6 | N7 | 104.2° | 108.9° |
| N6 | C5 | C4 | 112.9° | 108.9° |
| N6 | C5 | H46 | 123.6° | 125.5° |
| N6 | N7 | C8 | 126.3° | 132.6° |
| N6 | N7 | C38 | 112.3° | 107.7° |
| C10 | N9 | C8 | 127.6° | 120.0° |
| N9 | C10 | C15 | 112.5° | 109.5° |
| N9 | C10 | H48 | 108.5° | 109.4° |
| C10 | N9 | H47 | 104.8° | 120.0° |
| N9 | C8 | N7 | 115.3° | 120.5° |
| N9 | C8 | C34 | 128.2° | 120.5° |
| C8 | N9 | H47 | 104.8° | 120.0° |
| C12 | N13 | C16 | 122.4° | 120.6° |
| C12 | N13 | C14 | 115.7° | 118.7° |
| N13 | C12 | H52 | 109.0° | 109.6° |
| N13 | C12 | H51 | 109.0° | 109.6° |
| C5 | C4 | C38 | 105.3° | 107.6° |
| C5 | C4 | C2 | 128.5° | 126.1° |
| C4 | C5 | H46 | 123.5° | 125.5° |
| C10 | C15 | C14 | 108.6° | 109.3° |
| C15 | C10 | H48 | 107.6° | 109.5° |
| C10 | C15 | H56 | 109.7° | 109.5° |
| C10 | C15 | H55 | 109.7° | 109.5° |
| C8 | N7 | C38 | 121.4° | 119.7° |
| N7 | C8 | C34 | 116.5° | 119.0° |
| N7 | C38 | C4 | 105.2° | 106.9° |
| N7 | C38 | N37 | 122.1° | 120.6° |
| C22 | C21 | C19 | 106.2° | 103.0° |
| C22 | C21 | H57 | 110.3° | 110.8° |
| C22 | C21 | H58 | 110.3° | 110.9° |
| C21 | C22 | H60 | 111.0° | 109.9° |
| C21 | C22 | H59 | 111.0° | 109.9° |
| C8 | C34 | C35 | 120.7° | 119.4° |
| C8 | C34 | H73 | 119.6° | 120.4° |
| C3 | C2 | C4 | 111.5° | 109.5° |
| C3 | C2 | C1 | 110.5° | 109.5° |
| C3 | C2 | H42 | 107.4° | 109.5° |
| C2 | C3 | H44 | 109.5° | 109.5° |
| C2 | C3 | H45 | 109.5° | 109.4° |
| C2 | C3 | H43 | 109.5° | 109.4° |
| O18 | C19 | C21 | 107.2° | 111.0° |
| C19 | O18 | C16 | 119.4° | 117.0° |
| O18 | C19 | H20 | 112.4° | 110.9° |
| C21 | C19 | H20 | 110.8° | 111.0° |
| C19 | C21 | H57 | 110.3° | 110.7° |
| C19 | C21 | H58 | 110.3° | 110.7° |
| O18 | C16 | N13 | 112.0° | 120.0° |
| O18 | C16 | O17 | 124.2° | 120.0° |
| C38 | C4 | C2 | 126.2° | 126.2° |
| C4 | C38 | N37 | 132.7° | 132.6° |
| C4 | C2 | C1 | 112.4° | 109.5° |
| C4 | C2 | H42 | 107.5° | 109.4° |
| C38 | N37 | C35 | 117.5° | 121.0° |
| C16 | N13 | C14 | 121.1° | 120.7° |
| N13 | C16 | O17 | 123.8° | 120.0° |
| N13 | C14 | C15 | 111.2° | 108.8° |
| N13 | C14 | H54 | 109.0° | 109.5° |
| N13 | C14 | H53 | 109.0° | 109.7° |
| C34 | C35 | N37 | 121.7° | 120.4° |
| C34 | C35 | C36 | 121.7° | 119.8° |
| C35 | C34 | H73 | 119.7° | 120.3° |
| C2 | C1 | H40 | 109.5° | 109.5° |
| C2 | C1 | H41 | 109.5° | 109.5° |
| C2 | C1 | H39 | 109.5° | 109.5° |
| C1 | C2 | H42 | 107.4° | 109.5° |
| C15 | C14 | H54 | 109.0° | 109.6° |
| C15 | C14 | H53 | 109.1° | 109.6° |
| C14 | C15 | H56 | 109.7° | 109.5° |
| C14 | C15 | H55 | 109.7° | 109.5° |
| N37 | C35 | C36 | 116.6° | 119.8° |
| C35 | C36 | H75 | 109.5° | 109.5° |
| C35 | C36 | H74 | 109.5° | 109.4° |
| C35 | C36 | H76 | 109.5° | 109.4° |
| H40 | C1 | H41 | 109.5° | 109.4° |
| H40 | C1 | H39 | 109.5° | 109.5° |
| H41 | C1 | H39 | 109.5° | 109.5° |
| H44 | C3 | H45 | 109.5° | 109.5° |
| H44 | C3 | H43 | 109.5° | 109.5° |
| H45 | C3 | H43 | 109.5° | 109.5° |
| H50 | C11 | H49 | 109.5° | 109.5° |
| H52 | C12 | H51 | 109.5° | 109.7° |
| H54 | C14 | H53 | 109.5° | 109.5° |
| H56 | C15 | H55 | 109.5° | 109.5° |
| H57 | C21 | H58 | 109.5° | 110.6° |
| H60 | C22 | H59 | 109.5° | 109.9° |
| H61 | C24 | H62 | 109.5° | 110.4° |
| H63 | C27 | H1 | 109.5° | 109.5° |
| H64 | C28 | H2 | 109.5° | 109.5° |
| H75 | C36 | H74 | 109.5° | 109.5° |
| H75 | C36 | H76 | 109.5° | 109.5° |
| H74 | C36 | H76 | 109.4° | 109.5° |
| H66 | C29 | H65 | 109.5° | 109.4° |
| H69 | C32 | H67 | 109.4° | 109.5° |
| H69 | C32 | H68 | 109.4° | 109.4° |
| H67 | C32 | H68 | 109.5° | 109.5° |
| H70 | C33 | H71 | 109.5° | 109.4° |
| H70 | C33 | H72 | 109.5° | 109.5° |
| H71 | C33 | H72 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C32 | N30 | C29 | C33 | 125.2° | 124.0° |
| C32 | N30 | C29 | C28 | 179.8° | 66.0° |
| C32 | N30 | C29 | H66 | 59.5° | 54.0° |
| C32 | N30 | C29 | H65 | 59.1° | 174.0° |
| N30 | C32 | H69 | H67 | 120.0° | 120.0° |
| N30 | C32 | H69 | H68 | 120.0° | 119.9° |
| N30 | C32 | H67 | H68 | 120.0° | 120.0° |
| C32 | N30 | C33 | H70 | 180.0° | 176.0° |
| C32 | N30 | C33 | H71 | 60.0° | 56.1° |
| C32 | N30 | C33 | H72 | 60.0° | 63.9° |
| N30 | C29 | C28 | H66 | 120.7° | 120.0° |
| N30 | C29 | C28 | H65 | 120.7° | 120.0° |
| N30 | C29 | C28 | C27 | 175.5° | 180.0° |
| N30 | C29 | C28 | H64 | 64.1° | 60.0° |
| N30 | C29 | H66 | H65 | 117.8° | 120.0° |
| C29 | N30 | C32 | H69 | 180.0° | 60.0° |
| C29 | N30 | C32 | H67 | 60.0° | 180.0° |
| C29 | N30 | C32 | H68 | 60.0° | 59.9° |
| C29 | N30 | C33 | H70 | 54.4° | 60.0° |
| C29 | N30 | C33 | H71 | 174.4° | 180.0° |
| C29 | N30 | C33 | H72 | 65.6° | 60.0° |
| N30 | C29 | C28 | H2 | 55.1° | 60.0° |
| C33 | N30 | C29 | C28 | 55.0° | 170.0° |
| C33 | N30 | C29 | H66 | 65.7° | 70.0° |
| C33 | N30 | C29 | H65 | 175.7° | 50.0° |
| C33 | N30 | C32 | H69 | 53.5° | 64.0° |
| C33 | N30 | C32 | H67 | 173.5° | 56.1° |
| C33 | N30 | C32 | H68 | 66.4° | 176.1° |
| N30 | C33 | H70 | H71 | 120.0° | 120.0° |
| N30 | C33 | H70 | H72 | 120.0° | 120.0° |
| N30 | C33 | H71 | H72 | 120.0° | 120.0° |
| C29 | C28 | C27 | H64 | 120.4° | 120.0° |
| C29 | C28 | C27 | H2 | 120.4° | 120.0° |
| C29 | C28 | C27 | C25 | 152.2° | 180.0° |
| C29 | C28 | C27 | H63 | 31.7° | 60.0° |
| C29 | C28 | H64 | H2 | 118.8° | 120.0° |
| C28 | C29 | H66 | H65 | 117.9° | 120.0° |
| C29 | C28 | C27 | H1 | 87.3° | 60.0° |
| C28 | C27 | C25 | H63 | 120.5° | 120.0° |
| C28 | C27 | C25 | H1 | 120.5° | 120.0° |
| C28 | C27 | C25 | N23 | 139.7° | 180.0° |
| C28 | C27 | C25 | O26 | 40.3° | 0.0° |
| C28 | C27 | H63 | H1 | 118.4° | 120.0° |
| C27 | C28 | H64 | H2 | 118.7° | 120.0° |
| C27 | C28 | C29 | H66 | 54.8° | 60.0° |
| C27 | C28 | C29 | H65 | 63.9° | 60.0° |
| C27 | C25 | N23 | O26 | 179.9° | 180.0° |
| C27 | C25 | N23 | C24 | 69.4° | 180.0° |
| C27 | C25 | N23 | C22 | 142.4° | 0.0° |
| C25 | C27 | H63 | H1 | 118.4° | 120.0° |
| C25 | C27 | C28 | H64 | 87.4° | 60.0° |
| C25 | C27 | C28 | H2 | 31.8° | 60.1° |
| C25 | N23 | C24 | C22 | 151.3° | 180.0° |
| C25 | N23 | C24 | C19 | 114.9° | 155.9° |
| C25 | N23 | C22 | C21 | 117.1° | 178.9° |
| C25 | N23 | C22 | H60 | 123.9° | 59.5° |
| C25 | N23 | C22 | H59 | 1.9° | 61.6° |
| C25 | N23 | C24 | H61 | 3.8° | 85.3° |
| C25 | N23 | C24 | H62 | 126.3° | 37.0° |
| N23 | C25 | C27 | H63 | 99.7° | 60.0° |
| N23 | C25 | C27 | H1 | 19.2° | 60.0° |
| O26 | C25 | N23 | C24 | 110.5° | 0.0° |
| O26 | C25 | N23 | C22 | 37.6° | 180.0° |
| O26 | C25 | C27 | H63 | 80.2° | 119.9° |
| O26 | C25 | C27 | H1 | 160.8° | 120.0° |
| N23 | C24 | C19 | H61 | 118.7° | 118.8° |
| N23 | C24 | C19 | H62 | 118.7° | 118.9° |
| C24 | N23 | C22 | C21 | 34.6° | 1.1° |
| N23 | C24 | C19 | O18 | 138.2° | 155.0° |
| N23 | C24 | C19 | C21 | 23.0° | 37.0° |
| N23 | C24 | C19 | H20 | 97.6° | 81.1° |
| C24 | N23 | C22 | H60 | 84.4° | 120.5° |
| C24 | N23 | C22 | H59 | 153.6° | 118.4° |
| N23 | C24 | H61 | H62 | 123.5° | 122.3° |
| C19 | C24 | N23 | C22 | 36.4° | 24.1° |
| C24 | C19 | C21 | C22 | 3.4° | 35.5° |
| C24 | C19 | O18 | C21 | 114.5° | 112.2° |
| C24 | C19 | O18 | H20 | 123.4° | 123.9° |
| C24 | C19 | C21 | H20 | 120.7° | 118.1° |
| C24 | C19 | O18 | C16 | 143.4° | 156.4° |
| C24 | C19 | C21 | H57 | 116.1° | 153.9° |
| C24 | C19 | C21 | H58 | 122.9° | 83.1° |
| C19 | C24 | H61 | H62 | 123.6° | 122.3° |
| N23 | C22 | C21 | H60 | 119.0° | 119.4° |
| N23 | C22 | C21 | H59 | 119.0° | 119.6° |
| N23 | C22 | C21 | C19 | 17.7° | 22.2° |
| N23 | C22 | C21 | H57 | 137.1° | 140.5° |
| N23 | C22 | C21 | H58 | 101.8° | 96.3° |
| N23 | C22 | H60 | H59 | 122.9° | 121.1° |
| C22 | N23 | C24 | H61 | 155.1° | 94.7° |
| C22 | N23 | C24 | H62 | 82.4° | 143.0° |
| C12 | C11 | C10 | H50 | 120.1° | 120.0° |
| C12 | C11 | C10 | H49 | 120.1° | 119.9° |
| C12 | C11 | C10 | N9 | 175.0° | 178.6° |
| C11 | C12 | N13 | H52 | 120.3° | 119.7° |
| C11 | C12 | N13 | H51 | 120.2° | 119.9° |
| C12 | C11 | C10 | C15 | 60.1° | 61.4° |
| C11 | C12 | N13 | C16 | 120.1° | 126.3° |
| C11 | C12 | N13 | C14 | 49.7° | 53.6° |
| C12 | C11 | C10 | H48 | 56.3° | 58.7° |
| C12 | C11 | H50 | H49 | 119.7° | 120.1° |
| C11 | C12 | H52 | H51 | 119.2° | 120.4° |
| C11 | C10 | N9 | C15 | 122.9° | 120.1° |
| C11 | C10 | N9 | H48 | 118.2° | 119.9° |
| C11 | C10 | N9 | C8 | 137.4° | 85.0° |
| C10 | C11 | C12 | N13 | 52.7° | 54.7° |
| C11 | C10 | C15 | H48 | 116.4° | 120.0° |
| C11 | C10 | C15 | C14 | 61.8° | 61.4° |
| C10 | C11 | H50 | H49 | 119.7° | 120.1° |
| C10 | C11 | C12 | H52 | 172.9° | 174.4° |
| C10 | C11 | C12 | H51 | 67.6° | 65.2° |
| C11 | C10 | C15 | H56 | 178.3° | 178.6° |
| C11 | C10 | C15 | H55 | 58.0° | 58.5° |
| C11 | C10 | N9 | H47 | 100.2° | 95.1° |
| N6 | C5 | C4 | H46 | 180.0° | 179.7° |
| C5 | N6 | N7 | C8 | 179.9° | 180.0° |
| C5 | N6 | N7 | C38 | 0.1° | 0.3° |
| N6 | C5 | C4 | C38 | 0.0° | 0.2° |
| N6 | C5 | C4 | C2 | 180.0° | 179.8° |
| N6 | N7 | C8 | N9 | 0.2° | 0.0° |
| N7 | N6 | C5 | C4 | 0.1° | 0.0° |
| N6 | N7 | C8 | C38 | 179.8° | 179.7° |
| N6 | N7 | C8 | C34 | 180.0° | 179.9° |
| N6 | N7 | C38 | C4 | 0.1° | 0.4° |
| N6 | N7 | C38 | N37 | 180.0° | 180.0° |
| N7 | N6 | C5 | H46 | 179.9° | 179.7° |
| C10 | N9 | C8 | H47 | 122.4° | 179.9° |
| N9 | C10 | C15 | H48 | 119.4° | 120.0° |
| C10 | N9 | C8 | N7 | 122.5° | 180.0° |
| C10 | N9 | C8 | C34 | 57.7° | 0.1° |
| N9 | C10 | C15 | C14 | 174.0° | 178.6° |
| N9 | C10 | C11 | H50 | 54.9° | 61.5° |
| N9 | C10 | C11 | H49 | 64.8° | 58.7° |
| N9 | C10 | C15 | H56 | 54.1° | 58.7° |
| N9 | C10 | C15 | H55 | 66.2° | 61.4° |
| C8 | N9 | C10 | C15 | 14.5° | 155.0° |
| N9 | C8 | N7 | C34 | 179.8° | 179.9° |
| N9 | C8 | N7 | C38 | 180.0° | 179.6° |
| N9 | C8 | C34 | C35 | 179.9° | 180.0° |
| C8 | N9 | C10 | H48 | 104.4° | 34.9° |
| N9 | C8 | C34 | H73 | 0.1° | 0.1° |
| C12 | N13 | C16 | O18 | 31.8° | 180.0° |
| C12 | N13 | C16 | C14 | 169.2° | 179.9° |
| C12 | N13 | C16 | O17 | 148.2° | 0.0° |
| C12 | N13 | C14 | C15 | 52.3° | 53.6° |
| N13 | C12 | C11 | H50 | 172.8° | 65.3° |
| N13 | C12 | C11 | H49 | 67.4° | 174.6° |
| N13 | C12 | H52 | H51 | 119.2° | 120.3° |
| C12 | N13 | C14 | H54 | 172.5° | 66.3° |
| C12 | N13 | C14 | H53 | 68.0° | 173.5° |
| C5 | C4 | C38 | N7 | 0.1° | 0.4° |
| C5 | C4 | C2 | C3 | 99.2° | 60.0° |
| C5 | C4 | C38 | C2 | 180.0° | 180.0° |
| C5 | C4 | C38 | N37 | 179.9° | 180.0° |
| C5 | C4 | C2 | C1 | 25.5° | 60.0° |
| C5 | C4 | C2 | H42 | 143.4° | 180.0° |
| C10 | C15 | C14 | N13 | 57.1° | 54.6° |
| C10 | C15 | C14 | H56 | 119.9° | 120.0° |
| C10 | C15 | C14 | H55 | 119.9° | 119.9° |
| C15 | C10 | C11 | H50 | 179.8° | 58.5° |
| C15 | C10 | C11 | H49 | 60.0° | 178.7° |
| C10 | C15 | C14 | H54 | 177.3° | 65.2° |
| C10 | C15 | C14 | H53 | 63.2° | 174.6° |
| C10 | C15 | H56 | H55 | 120.4° | 120.1° |
| C15 | C10 | N9 | H47 | 136.8° | 25.0° |
| C8 | N7 | C38 | C4 | 179.9° | 179.8° |
| C8 | N7 | C38 | N37 | 0.2° | 0.2° |
| N7 | C8 | C34 | C35 | 0.1° | 0.1° |
| N7 | C8 | N9 | H47 | 0.1° | 0.1° |
| N7 | C8 | C34 | H73 | 179.9° | 180.0° |
| C38 | N7 | C8 | C34 | 0.2° | 0.3° |
| N7 | C38 | C4 | N37 | 179.9° | 179.5° |
| N7 | C38 | C4 | C2 | 179.9° | 179.6° |
| N7 | C38 | N37 | C35 | 0.1° | 0.2° |
| C22 | C21 | C19 | O18 | 119.7° | 153.5° |
| C22 | C21 | C19 | H57 | 119.5° | 118.4° |
| C22 | C21 | C19 | H58 | 119.5° | 118.5° |
| C22 | C21 | C19 | H20 | 117.3° | 82.6° |
| C22 | C21 | H57 | H58 | 121.5° | 123.3° |
| C21 | C22 | H60 | H59 | 123.0° | 121.1° |
| C8 | C34 | C35 | H73 | 180.0° | 179.9° |
| C8 | C34 | C35 | N37 | 0.0° | 0.5° |
| C8 | C34 | C35 | C36 | 179.9° | 180.0° |
| C34 | C8 | N9 | H47 | 180.0° | 180.0° |
| C3 | C2 | C4 | C38 | 80.8° | 120.0° |
| C3 | C2 | C4 | C1 | 124.6° | 120.0° |
| C3 | C2 | C4 | H42 | 117.4° | 120.0° |
| C3 | C2 | C1 | H42 | 116.8° | 120.0° |
| C3 | C2 | C1 | H40 | 180.0° | 60.0° |
| C3 | C2 | C1 | H41 | 60.0° | 180.0° |
| C3 | C2 | C1 | H39 | 60.0° | 60.0° |
| C2 | C3 | H44 | H45 | 120.0° | 120.0° |
| C2 | C3 | H44 | H43 | 120.0° | 120.0° |
| C2 | C3 | H45 | H43 | 120.0° | 120.0° |
| O18 | C19 | C21 | H20 | 123.0° | 123.9° |
| C19 | O18 | C16 | N13 | 54.1° | 180.0° |
| C19 | O18 | C16 | O17 | 125.9° | 0.0° |
| O18 | C19 | C21 | H57 | 0.2° | 88.0° |
| O18 | C19 | C21 | H58 | 120.8° | 35.0° |
| O18 | C19 | C24 | H61 | 103.1° | 36.2° |
| O18 | C19 | C24 | H62 | 19.4° | 86.1° |
| C21 | C19 | O18 | C16 | 102.1° | 91.5° |
| C19 | C21 | H57 | H58 | 121.5° | 123.1° |
| C19 | C21 | C22 | H60 | 101.3° | 97.2° |
| C19 | C21 | C22 | H59 | 136.6° | 141.8° |
| C21 | C19 | C24 | H61 | 141.7° | 81.8° |
| C21 | C19 | C24 | H62 | 95.7° | 155.8° |
| O18 | C16 | N13 | O17 | 180.0° | 179.9° |
| O18 | C16 | N13 | C14 | 158.9° | 0.0° |
| C16 | O18 | C19 | H20 | 20.0° | 32.4° |
| C38 | C4 | C2 | C1 | 154.5° | 120.0° |
| C4 | C38 | N37 | C35 | 180.0° | 179.3° |
| C38 | C4 | C2 | H42 | 36.6° | 0.0° |
| C38 | C4 | C5 | H46 | 180.0° | 180.0° |
| C2 | C4 | C38 | N37 | 0.1° | 0.0° |
| C4 | C2 | C1 | H42 | 118.0° | 120.0° |
| C4 | C2 | C1 | H40 | 54.8° | 179.9° |
| C4 | C2 | C1 | H41 | 65.2° | 60.0° |
| C4 | C2 | C1 | H39 | 174.8° | 60.0° |
| C4 | C2 | C3 | H44 | 180.0° | 60.0° |
| C4 | C2 | C3 | H45 | 60.0° | 180.0° |
| C4 | C2 | C3 | H43 | 60.0° | 60.0° |
| C2 | C4 | C5 | H46 | 0.0° | 0.1° |
| C38 | N37 | C35 | C34 | 0.0° | 0.6° |
| C38 | N37 | C35 | C36 | 179.9° | 179.9° |
| C16 | N13 | C14 | C15 | 117.6° | 126.3° |
| C16 | N13 | C12 | H52 | 0.2° | 6.6° |
| C16 | N13 | C12 | H51 | 119.7° | 113.8° |
| C16 | N13 | C14 | H54 | 2.6° | 113.8° |
| C16 | N13 | C14 | H53 | 122.1° | 6.5° |
| C14 | N13 | C16 | O17 | 21.0° | 179.9° |
| N13 | C14 | C15 | H54 | 120.3° | 119.8° |
| N13 | C14 | C15 | H53 | 120.3° | 119.9° |
| C14 | N13 | C12 | H52 | 170.0° | 173.3° |
| C14 | N13 | C12 | H51 | 70.6° | 66.3° |
| N13 | C14 | H54 | H53 | 119.2° | 120.4° |
| N13 | C14 | C15 | H56 | 176.9° | 174.6° |
| N13 | C14 | C15 | H55 | 62.8° | 65.3° |
| C34 | C35 | N37 | C36 | 180.0° | 179.5° |
| C34 | C35 | C36 | H75 | 179.9° | 89.9° |
| C34 | C35 | C36 | H74 | 60.0° | 150.1° |
| C34 | C35 | C36 | H76 | 59.9° | 30.1° |
| C2 | C1 | H40 | H41 | 120.0° | 120.0° |
| C2 | C1 | H40 | H39 | 120.0° | 120.0° |
| C2 | C1 | H41 | H39 | 120.0° | 120.0° |
| C1 | C2 | C3 | H44 | 54.3° | 180.0° |
| C1 | C2 | C3 | H45 | 65.7° | 60.0° |
| C1 | C2 | C3 | H43 | 174.3° | 60.0° |
| C14 | C15 | C10 | H48 | 54.6° | 58.6° |
| C15 | C14 | H54 | H53 | 119.2° | 120.3° |
| C14 | C15 | H56 | H55 | 120.4° | 120.1° |
| N37 | C35 | C36 | H75 | 0.0° | 89.6° |
| N37 | C35 | C36 | H74 | 120.0° | 30.4° |
| N37 | C35 | C36 | H76 | 120.0° | 150.4° |
| N37 | C35 | C34 | H73 | 180.0° | 179.6° |
| C35 | C36 | H75 | H74 | 120.0° | 120.0° |
| C35 | C36 | H75 | H76 | 120.0° | 120.0° |
| C35 | C36 | H74 | H76 | 120.0° | 119.9° |
| C36 | C35 | C34 | H73 | 0.1° | 0.1° |
| H40 | C1 | H41 | H39 | 120.0° | 120.0° |
| H40 | C1 | C2 | H42 | 63.2° | 60.0° |
| H41 | C1 | C2 | H42 | 176.8° | 60.0° |
| H39 | C1 | C2 | H42 | 56.8° | 180.0° |
| H42 | C2 | C3 | H44 | 62.5° | 60.0° |
| H42 | C2 | C3 | H45 | 177.5° | 60.0° |
| H42 | C2 | C3 | H43 | 57.5° | 180.0° |
| H44 | C3 | H45 | H43 | 120.0° | 120.0° |
| H48 | C10 | C11 | H50 | 63.8° | 178.6° |
| H48 | C10 | C11 | H49 | 176.4° | 61.2° |
| H48 | C10 | C15 | H56 | 65.3° | 61.3° |
| H48 | C10 | C15 | H55 | 174.4° | 178.6° |
| H48 | C10 | N9 | H47 | 17.9° | 145.0° |
| H50 | C11 | C12 | H52 | 66.9° | 54.5° |
| H50 | C11 | C12 | H51 | 52.5° | 174.9° |
| H49 | C11 | C12 | H52 | 52.8° | 65.7° |
| H49 | C11 | C12 | H51 | 172.3° | 54.7° |
| H54 | C14 | C15 | H56 | 62.8° | 54.8° |
| H54 | C14 | C15 | H55 | 57.4° | 174.9° |
| H53 | C14 | C15 | H56 | 56.7° | 65.4° |
| H53 | C14 | C15 | H55 | 176.9° | 54.6° |
| H20 | C19 | C21 | H57 | 123.2° | 35.8° |
| H20 | C19 | C21 | H58 | 2.2° | 158.9° |
| H20 | C19 | C24 | H61 | 21.2° | 160.1° |
| H20 | C19 | C24 | H62 | 143.7° | 37.8° |
| H57 | C21 | C22 | H60 | 18.2° | 21.2° |
| H57 | C21 | C22 | H59 | 103.9° | 99.9° |
| H58 | C21 | C22 | H60 | 139.2° | 144.4° |
| H58 | C21 | C22 | H59 | 17.2° | 23.3° |
| H63 | C27 | C28 | H64 | 152.1° | 180.0° |
| H63 | C27 | C28 | H2 | 88.7° | 59.9° |
| H64 | C28 | C29 | H66 | 175.2° | 180.0° |
| H64 | C28 | C29 | H65 | 56.5° | 60.0° |
| H64 | C28 | C27 | H1 | 33.1° | 59.9° |
| H75 | C36 | H74 | H76 | 120.0° | 120.1° |
| H66 | C29 | C28 | H2 | 65.6° | 60.0° |
| H65 | C29 | C28 | H2 | 175.7° | 180.0° |
| H69 | C32 | H67 | H68 | 119.9° | 120.1° |
| H70 | C33 | H71 | H72 | 120.0° | 120.0° |
| H1 | C27 | C28 | H2 | 152.3° | 180.0° |
