YG6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N01 | C02 | sing | 1.45Å | 1.35Å | |
| C02 | C03 | sing | 1.52Å | 1.47Å | |
| N01 | C04 | sing | 1.46Å | 1.41Å | |
| C04 | C05 | sing | 1.50Å | 1.61Å | |
| C03 | C06 | sing | 1.49Å | 1.67Å | |
| C05 | C07 | sing | 1.49Å | 0.78Å | |
| C06 | C07 | sing | 1.51Å | 1.34Å | |
| C07 | C08 | sing | 1.54Å | 1.26Å | |
| C08 | N09 | sing | 1.48Å | 1.45Å | |
| C06 | C10 | sing | 1.56Å | 1.44Å | |
| N09 | C10 | sing | 1.48Å | 1.13Å | |
| N01 | C13 | sing | 1.35Å | 1.50Å | |
| C13 | O14 | doub | 1.21Å | 1.22Å | |
| C13 | C15 | sing | 1.51Å | 1.56Å | |
| C15 | O16 | sing | 1.43Å | 1.43Å | |
| O16 | C17 | sing | 1.36Å | 1.42Å | |
| C17 | C18 | doub | 1.39Å | 1.43Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.41Å | Aromatic |
| C17 | C20 | sing | 1.39Å | 1.43Å | Aromatic |
| C18 | C21 | sing | 1.51Å | 1.55Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C21 | C23 | sing | 1.53Å | 1.49Å | |
| C20 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C25 | doub | 1.38Å | 1.42Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.44Å | Aromatic |
| C25 | C26 | sing | 1.51Å | 1.53Å | |
| C26 | C27 | sing | 1.54Å | 1.49Å | |
| C24 | C28 | sing | 1.51Å | 1.53Å | |
| C27 | C28 | sing | 1.54Å | 1.46Å | |
| C28 | C29 | sing | 1.53Å | 1.50Å | |
| C28 | C30 | sing | 1.53Å | 1.56Å | |
| N09 | C31 | sing | 1.35Å | 1.48Å | |
| C31 | O32 | doub | 1.22Å | 1.23Å | |
| C31 | C33 | sing | 1.48Å | 1.54Å | |
| C33 | C34 | doub | 1.39Å | 1.40Å | Aromatic |
| C33 | C36 | sing | 1.40Å | 1.45Å | Aromatic |
| C35 | C36 | doub | 1.36Å | 1.38Å | Aromatic |
| C35 | C37 | sing | 1.39Å | 1.44Å | Aromatic |
| C34 | C38 | sing | 1.40Å | 1.43Å | Aromatic |
| C37 | C38 | doub | 1.41Å | 1.40Å | Aromatic |
| C38 | N39 | sing | 1.35Å | 1.38Å | Aromatic |
| N39 | N40 | doub | 1.29Å | 1.36Å | Aromatic |
| C37 | N41 | sing | 1.37Å | 1.36Å | Aromatic |
| N40 | N41 | sing | 1.40Å | 1.41Å | Aromatic |
| C02 | H42 | sing | 1.09Å | 1.10Å | |
| C02 | H43 | sing | 1.09Å | 1.10Å | |
| C04 | H47 | sing | 1.09Å | 1.10Å | |
| C04 | H46 | sing | 1.09Å | 1.10Å | |
| C05 | H48 | sing | 1.09Å | 1.10Å | |
| C05 | H49 | sing | 1.09Å | 1.10Å | |
| C06 | H11 | sing | 1.09Å | 1.10Å | |
| C07 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H52 | sing | 1.09Å | 1.10Å | |
| C10 | H53 | sing | 1.09Å | 1.10Å | |
| C15 | H54 | sing | 1.09Å | 1.10Å | |
| C15 | H55 | sing | 1.09Å | 1.10Å | |
| C19 | H56 | sing | 1.08Å | 1.08Å | |
| C20 | H57 | sing | 1.08Å | 1.08Å | |
| C21 | H58 | sing | 1.09Å | 1.10Å | |
| C22 | H59 | sing | 1.09Å | 1.10Å | |
| C22 | H61 | sing | 1.09Å | 1.10Å | |
| C22 | H60 | sing | 1.09Å | 1.10Å | |
| C23 | H62 | sing | 1.09Å | 1.10Å | |
| C23 | H64 | sing | 1.09Å | 1.10Å | |
| C23 | H63 | sing | 1.09Å | 1.10Å | |
| C26 | H66 | sing | 1.09Å | 1.10Å | |
| C26 | H65 | sing | 1.09Å | 1.10Å | |
| C27 | H67 | sing | 1.09Å | 1.10Å | |
| C27 | H68 | sing | 1.09Å | 1.10Å | |
| C03 | H44 | sing | 1.09Å | 1.10Å | |
| C03 | H45 | sing | 1.09Å | 1.10Å | |
| C08 | H51 | sing | 1.09Å | 1.10Å | |
| C08 | H50 | sing | 1.09Å | 1.10Å | |
| C29 | H69 | sing | 1.09Å | 1.10Å | |
| C29 | H70 | sing | 1.09Å | 1.10Å | |
| C29 | H71 | sing | 1.09Å | 1.10Å | |
| C30 | H72 | sing | 1.09Å | 1.10Å | |
| C30 | H74 | sing | 1.09Å | 1.10Å | |
| C30 | H73 | sing | 1.09Å | 1.10Å | |
| C34 | H75 | sing | 1.08Å | 1.08Å | |
| C35 | H76 | sing | 1.08Å | 1.08Å | |
| C36 | H77 | sing | 1.08Å | 1.08Å | |
| N41 | H78 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N01 | C02 | C03 | 122.6° | 109.9° |
| C02 | N01 | C04 | 130.2° | 121.2° |
| C02 | N01 | C13 | 110.5° | 119.4° |
| N01 | C02 | H42 | 106.1° | 109.4° |
| N01 | C02 | H43 | 106.1° | 109.3° |
| C02 | C03 | C06 | 115.9° | 114.8° |
| C03 | C02 | H42 | 106.1° | 109.4° |
| C03 | C02 | H43 | 106.1° | 109.4° |
| C02 | C03 | H44 | 107.9° | 108.4° |
| C02 | C03 | H45 | 107.8° | 108.4° |
| N01 | C04 | C05 | 117.8° | 113.4° |
| C04 | N01 | C13 | 119.3° | 119.4° |
| N01 | C04 | H47 | 107.4° | 108.7° |
| N01 | C04 | H46 | 107.3° | 108.7° |
| C04 | C05 | C07 | 125.5° | 116.5° |
| C05 | C04 | H47 | 107.3° | 108.7° |
| C05 | C04 | H46 | 107.4° | 108.7° |
| C04 | C05 | H48 | 105.3° | 108.1° |
| C04 | C05 | H49 | 105.3° | 108.1° |
| C03 | C06 | C07 | 123.8° | 116.5° |
| C03 | C06 | C10 | 99.1° | 108.9° |
| C03 | C06 | H11 | 105.5° | 109.3° |
| C06 | C03 | H44 | 107.8° | 108.4° |
| C06 | C03 | H45 | 107.9° | 108.4° |
| C05 | C07 | C06 | 127.5° | 118.9° |
| C05 | C07 | C08 | 117.3° | 112.7° |
| C07 | C05 | H48 | 105.3° | 108.0° |
| C07 | C05 | H49 | 105.3° | 108.1° |
| C05 | C07 | H12 | 106.0° | 106.5° |
| C06 | C07 | C08 | 102.2° | 106.3° |
| C07 | C06 | C10 | 109.6° | 102.6° |
| C07 | C06 | H11 | 109.5° | 109.6° |
| C06 | C07 | H12 | 99.2° | 106.3° |
| C07 | C08 | N09 | 111.3° | 106.3° |
| C08 | C07 | H12 | 99.8° | 105.2° |
| C07 | C08 | H51 | 109.0° | 110.1° |
| C07 | C08 | H50 | 109.0° | 110.1° |
| C08 | N09 | C10 | 108.6° | 105.9° |
| C08 | N09 | C31 | 125.4° | 127.1° |
| N09 | C08 | H51 | 109.0° | 110.1° |
| N09 | C08 | H50 | 109.0° | 110.1° |
| C06 | C10 | N09 | 107.4° | 102.8° |
| C10 | C06 | H11 | 108.1° | 109.7° |
| C06 | C10 | H52 | 110.0° | 110.7° |
| C06 | C10 | H53 | 110.0° | 110.7° |
| C10 | N09 | C31 | 126.0° | 127.0° |
| N09 | C10 | H52 | 110.0° | 110.7° |
| N09 | C10 | H53 | 110.0° | 110.8° |
| N01 | C13 | O14 | 121.8° | 120.0° |
| N01 | C13 | C15 | 122.2° | 120.0° |
| O14 | C13 | C15 | 116.0° | 120.0° |
| C13 | C15 | O16 | 110.4° | 109.5° |
| C13 | C15 | H54 | 109.3° | 109.5° |
| C13 | C15 | H55 | 109.2° | 109.4° |
| C15 | O16 | C17 | 121.4° | 117.0° |
| O16 | C15 | H54 | 109.3° | 109.5° |
| O16 | C15 | H55 | 109.3° | 109.5° |
| O16 | C17 | C18 | 121.3° | 120.1° |
| O16 | C17 | C20 | 115.6° | 120.1° |
| C17 | C18 | C19 | 116.9° | 119.9° |
| C18 | C17 | C20 | 122.9° | 119.8° |
| C17 | C18 | C21 | 121.6° | 120.0° |
| C19 | C18 | C21 | 121.4° | 120.1° |
| C18 | C19 | C25 | 120.5° | 120.3° |
| C18 | C19 | H56 | 119.7° | 119.8° |
| C17 | C20 | C24 | 119.3° | 120.2° |
| C17 | C20 | H57 | 120.4° | 119.9° |
| C18 | C21 | C22 | 112.5° | 109.5° |
| C18 | C21 | C23 | 116.3° | 109.5° |
| C18 | C21 | H58 | 107.2° | 109.5° |
| C22 | C21 | C23 | 104.8° | 109.4° |
| C22 | C21 | H58 | 107.5° | 109.4° |
| C21 | C22 | H59 | 109.5° | 109.5° |
| C21 | C22 | H61 | 109.4° | 109.5° |
| C21 | C22 | H60 | 109.5° | 109.5° |
| C23 | C21 | H58 | 108.1° | 109.5° |
| C21 | C23 | H62 | 109.5° | 109.5° |
| C21 | C23 | H64 | 109.4° | 109.5° |
| C21 | C23 | H63 | 109.4° | 109.5° |
| C20 | C24 | C25 | 119.1° | 119.9° |
| C20 | C24 | C28 | 132.4° | 130.3° |
| C24 | C20 | H57 | 120.3° | 119.9° |
| C19 | C25 | C24 | 121.2° | 119.9° |
| C19 | C25 | C26 | 131.9° | 130.3° |
| C25 | C19 | H56 | 119.7° | 119.9° |
| C24 | C25 | C26 | 106.9° | 109.8° |
| C25 | C24 | C28 | 108.5° | 109.7° |
| C25 | C26 | C27 | 105.8° | 105.1° |
| C25 | C26 | H66 | 110.4° | 110.3° |
| C25 | C26 | H65 | 110.4° | 110.3° |
| C26 | C27 | C28 | 106.2° | 102.4° |
| C27 | C26 | H66 | 110.4° | 110.3° |
| C27 | C26 | H65 | 110.4° | 110.3° |
| C26 | C27 | H67 | 110.3° | 110.8° |
| C26 | C27 | H68 | 110.3° | 110.8° |
| C24 | C28 | C27 | 105.6° | 105.1° |
| C24 | C28 | C29 | 112.6° | 110.3° |
| C24 | C28 | C30 | 111.6° | 110.3° |
| C27 | C28 | C29 | 107.0° | 110.3° |
| C27 | C28 | C30 | 113.7° | 110.3° |
| C28 | C27 | H67 | 110.3° | 110.9° |
| C28 | C27 | H68 | 110.3° | 110.8° |
| C29 | C28 | C30 | 106.5° | 110.4° |
| C28 | C29 | H69 | 109.5° | 109.5° |
| C28 | C29 | H70 | 109.5° | 109.5° |
| C28 | C29 | H71 | 109.5° | 109.5° |
| C28 | C30 | H72 | 109.5° | 109.5° |
| C28 | C30 | H74 | 109.5° | 109.5° |
| C28 | C30 | H73 | 109.5° | 109.5° |
| N09 | C31 | O32 | 118.8° | 120.0° |
| N09 | C31 | C33 | 123.9° | 120.0° |
| O32 | C31 | C33 | 117.3° | 120.0° |
| C31 | C33 | C34 | 118.5° | 119.8° |
| C31 | C33 | C36 | 121.0° | 119.9° |
| C34 | C33 | C36 | 120.5° | 120.3° |
| C33 | C34 | C38 | 120.6° | 119.5° |
| C33 | C34 | H75 | 119.7° | 120.3° |
| C33 | C36 | C35 | 118.7° | 120.4° |
| C33 | C36 | H77 | 120.6° | 119.8° |
| C36 | C35 | C37 | 120.9° | 120.2° |
| C36 | C35 | H76 | 119.5° | 119.9° |
| C35 | C36 | H77 | 120.6° | 119.8° |
| C35 | C37 | C38 | 120.4° | 120.2° |
| C35 | C37 | N41 | 132.4° | 133.7° |
| C37 | C35 | H76 | 119.6° | 119.9° |
| C34 | C38 | C37 | 118.9° | 119.4° |
| C34 | C38 | N39 | 132.5° | 133.0° |
| C38 | C34 | H75 | 119.7° | 120.2° |
| C37 | C38 | N39 | 108.6° | 107.6° |
| C38 | C37 | N41 | 107.2° | 106.1° |
| C38 | N39 | N40 | 108.1° | 110.1° |
| N39 | N40 | N41 | 108.0° | 109.5° |
| C37 | N41 | N40 | 108.1° | 106.7° |
| C37 | N41 | H78 | 126.0° | 126.7° |
| N40 | N41 | H78 | 126.0° | 126.7° |
| H42 | C02 | H43 | 109.4° | 109.5° |
| H47 | C04 | H46 | 109.5° | 108.6° |
| H48 | C05 | H49 | 109.5° | 107.9° |
| H52 | C10 | H53 | 109.5° | 110.8° |
| H54 | C15 | H55 | 109.4° | 109.5° |
| H59 | C22 | H61 | 109.5° | 109.5° |
| H59 | C22 | H60 | 109.5° | 109.4° |
| H61 | C22 | H60 | 109.5° | 109.5° |
| H62 | C23 | H64 | 109.4° | 109.5° |
| H62 | C23 | H63 | 109.5° | 109.4° |
| H64 | C23 | H63 | 109.5° | 109.5° |
| H66 | C26 | H65 | 109.5° | 110.3° |
| H67 | C27 | H68 | 109.5° | 110.8° |
| H44 | C03 | H45 | 109.5° | 108.2° |
| H51 | C08 | H50 | 109.5° | 110.1° |
| H69 | C29 | H70 | 109.4° | 109.4° |
| H69 | C29 | H71 | 109.4° | 109.5° |
| H70 | C29 | H71 | 109.5° | 109.5° |
| H72 | C30 | H74 | 109.5° | 109.5° |
| H72 | C30 | H73 | 109.5° | 109.5° |
| H74 | C30 | H73 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N01 | C02 | C03 | H42 | 121.8° | 120.1° |
| N01 | C02 | C03 | H43 | 121.8° | 120.0° |
| C02 | N01 | C04 | C13 | 179.5° | 180.0° |
| C02 | N01 | C04 | C05 | 22.1° | 75.0° |
| N01 | C02 | C03 | C06 | 16.7° | 73.9° |
| C02 | N01 | C13 | O14 | 180.0° | 0.0° |
| C02 | N01 | C13 | C15 | 0.4° | 180.0° |
| N01 | C02 | H42 | H43 | 114.1° | 119.8° |
| C02 | N01 | C04 | H47 | 99.1° | 164.0° |
| C02 | N01 | C04 | H46 | 143.3° | 46.0° |
| N01 | C02 | C03 | H44 | 104.2° | 47.5° |
| N01 | C02 | C03 | H45 | 137.7° | 164.7° |
| C03 | C02 | N01 | C04 | 2.1° | 61.7° |
| C02 | C03 | C06 | H44 | 121.0° | 121.4° |
| C02 | C03 | C06 | H45 | 120.9° | 121.4° |
| C02 | C03 | C06 | C07 | 46.5° | 82.4° |
| C02 | C03 | C06 | C10 | 167.5° | 162.2° |
| C03 | C02 | N01 | C13 | 178.4° | 118.3° |
| C03 | C02 | H42 | H43 | 114.1° | 119.9° |
| C02 | C03 | C06 | H11 | 80.7° | 42.4° |
| C02 | C03 | H44 | H45 | 117.0° | 117.3° |
| N01 | C04 | C05 | H47 | 121.2° | 121.0° |
| N01 | C04 | C05 | H46 | 121.2° | 121.0° |
| N01 | C04 | C05 | C07 | 71.7° | 78.7° |
| C04 | N01 | C13 | O14 | 0.5° | 179.9° |
| C04 | N01 | C13 | C15 | 179.9° | 0.0° |
| C04 | N01 | C02 | H42 | 124.0° | 178.2° |
| C04 | N01 | C02 | H43 | 119.7° | 58.3° |
| N01 | C04 | H47 | H46 | 116.2° | 118.1° |
| N01 | C04 | C05 | H48 | 166.2° | 159.6° |
| N01 | C04 | C05 | H49 | 50.5° | 43.1° |
| C04 | C05 | C07 | H48 | 122.2° | 121.8° |
| C04 | C05 | C07 | H49 | 122.1° | 121.8° |
| C04 | C05 | C07 | C06 | 52.1° | 37.2° |
| C04 | C05 | C07 | C08 | 173.7° | 162.6° |
| C05 | C04 | N01 | C13 | 158.5° | 105.0° |
| C05 | C04 | H47 | H46 | 116.2° | 118.1° |
| C04 | C05 | H48 | H49 | 112.7° | 116.6° |
| C04 | C05 | C07 | H12 | 63.4° | 82.6° |
| C03 | C06 | C07 | C05 | 14.1° | 33.0° |
| C03 | C06 | C07 | C10 | 116.1° | 118.9° |
| C03 | C06 | C07 | H11 | 125.4° | 124.7° |
| C03 | C06 | C07 | C08 | 125.2° | 95.4° |
| C03 | C06 | C10 | H11 | 109.8° | 119.5° |
| C03 | C06 | C10 | N09 | 136.8° | 86.0° |
| C06 | C03 | C02 | H42 | 138.6° | 166.0° |
| C06 | C03 | C02 | H43 | 105.1° | 46.1° |
| C03 | C06 | C07 | H12 | 132.6° | 152.9° |
| C03 | C06 | C10 | H52 | 17.1° | 32.4° |
| C03 | C06 | C10 | H53 | 103.5° | 155.7° |
| C06 | C03 | H44 | H45 | 117.1° | 117.4° |
| C05 | C07 | C06 | C08 | 139.3° | 128.5° |
| C05 | C07 | C06 | H12 | 118.4° | 119.9° |
| C05 | C07 | C08 | H12 | 113.8° | 115.6° |
| C05 | C07 | C08 | N09 | 135.4° | 132.5° |
| C05 | C07 | C06 | C10 | 130.3° | 151.9° |
| C07 | C05 | C04 | H47 | 49.5° | 160.3° |
| C07 | C05 | C04 | H46 | 167.2° | 42.3° |
| C07 | C05 | H48 | H49 | 112.8° | 116.6° |
| C05 | C07 | C06 | H11 | 111.3° | 91.7° |
| C05 | C07 | C08 | H51 | 104.3° | 108.2° |
| C05 | C07 | C08 | H50 | 15.1° | 13.3° |
| C06 | C07 | C08 | H12 | 101.8° | 112.4° |
| C06 | C07 | C08 | N09 | 9.0° | 0.5° |
| C07 | C06 | C10 | H11 | 119.3° | 116.4° |
| C07 | C06 | C10 | N09 | 5.8° | 38.1° |
| C06 | C07 | C05 | H48 | 174.3° | 159.0° |
| C06 | C07 | C05 | H49 | 70.0° | 84.6° |
| C07 | C06 | C10 | H52 | 113.8° | 156.5° |
| C07 | C06 | C10 | H53 | 125.5° | 80.2° |
| C07 | C06 | C03 | H44 | 74.5° | 38.9° |
| C07 | C06 | C03 | H45 | 167.4° | 156.2° |
| C06 | C07 | C08 | H51 | 111.3° | 119.8° |
| C06 | C07 | C08 | H50 | 129.3° | 118.7° |
| C07 | C08 | N09 | H51 | 120.3° | 119.2° |
| C07 | C08 | N09 | H50 | 120.3° | 119.2° |
| C08 | C07 | C06 | C10 | 9.0° | 23.5° |
| C07 | C08 | N09 | C10 | 6.0° | 24.2° |
| C07 | C08 | N09 | C31 | 176.8° | 155.8° |
| C08 | C07 | C05 | H48 | 51.6° | 75.6° |
| C08 | C07 | C05 | H49 | 64.1° | 40.9° |
| C08 | C07 | C06 | H11 | 109.4° | 139.9° |
| C07 | C08 | H51 | H50 | 119.1° | 121.5° |
| C08 | N09 | C10 | C06 | 0.2° | 38.9° |
| C08 | N09 | C10 | C31 | 177.2° | 179.9° |
| C08 | N09 | C31 | O32 | 56.6° | 174.2° |
| C08 | N09 | C31 | C33 | 125.7° | 5.8° |
| N09 | C08 | C07 | H12 | 110.7° | 111.9° |
| C08 | N09 | C10 | H52 | 119.5° | 157.2° |
| C08 | N09 | C10 | H53 | 119.9° | 79.5° |
| N09 | C08 | H51 | H50 | 119.2° | 121.6° |
| C06 | C10 | N09 | H52 | 119.7° | 118.3° |
| C06 | C10 | N09 | H53 | 119.7° | 118.3° |
| C06 | C10 | N09 | C31 | 177.0° | 141.2° |
| C10 | C06 | C07 | H12 | 111.3° | 88.2° |
| C06 | C10 | H52 | H53 | 121.0° | 123.3° |
| C10 | C06 | C03 | H44 | 46.6° | 76.4° |
| C10 | C06 | C03 | H45 | 71.5° | 40.8° |
| C10 | N09 | C31 | O32 | 120.1° | 5.9° |
| C10 | N09 | C31 | C33 | 57.6° | 174.1° |
| N09 | C10 | C06 | H11 | 113.4° | 154.5° |
| N09 | C10 | H52 | H53 | 120.9° | 123.3° |
| C10 | N09 | C08 | H51 | 114.2° | 95.0° |
| C10 | N09 | C08 | H50 | 126.3° | 143.4° |
| N01 | C13 | O14 | C15 | 179.6° | 180.0° |
| N01 | C13 | C15 | O16 | 62.9° | 180.0° |
| C13 | N01 | C02 | H42 | 56.5° | 1.8° |
| C13 | N01 | C02 | H43 | 59.8° | 121.6° |
| C13 | N01 | C04 | H47 | 80.3° | 15.9° |
| C13 | N01 | C04 | H46 | 37.3° | 134.0° |
| N01 | C13 | C15 | H54 | 57.3° | 60.0° |
| N01 | C13 | C15 | H55 | 177.0° | 60.0° |
| O14 | C13 | C15 | O16 | 117.5° | 0.0° |
| O14 | C13 | C15 | H54 | 122.4° | 120.1° |
| O14 | C13 | C15 | H55 | 2.7° | 120.0° |
| C13 | C15 | O16 | H54 | 120.2° | 120.1° |
| C13 | C15 | O16 | H55 | 120.1° | 119.9° |
| C13 | C15 | O16 | C17 | 164.2° | 180.0° |
| C13 | C15 | H54 | H55 | 119.6° | 120.0° |
| C15 | O16 | C17 | C18 | 171.3° | 180.0° |
| C15 | O16 | C17 | C20 | 11.8° | 0.3° |
| O16 | C15 | H54 | H55 | 119.6° | 120.0° |
| O16 | C17 | C18 | C20 | 176.6° | 179.7° |
| O16 | C17 | C18 | C19 | 179.4° | 179.7° |
| O16 | C17 | C18 | C21 | 1.9° | 0.4° |
| O16 | C17 | C20 | C24 | 180.0° | 179.7° |
| C17 | O16 | C15 | H54 | 75.7° | 60.0° |
| C17 | O16 | C15 | H55 | 44.0° | 60.0° |
| O16 | C17 | C20 | H57 | 0.0° | 0.3° |
| C17 | C18 | C19 | C21 | 178.6° | 179.9° |
| C17 | C18 | C21 | C22 | 79.0° | 120.0° |
| C17 | C18 | C21 | C23 | 160.1° | 120.0° |
| C18 | C17 | C20 | C24 | 3.2° | 0.0° |
| C17 | C18 | C19 | C25 | 0.8° | 0.0° |
| C17 | C18 | C19 | H56 | 179.2° | 180.0° |
| C18 | C17 | C20 | H57 | 176.8° | 180.0° |
| C17 | C18 | C21 | H58 | 39.0° | 0.0° |
| C19 | C18 | C17 | C20 | 2.8° | 0.0° |
| C19 | C18 | C21 | C22 | 102.5° | 60.1° |
| C19 | C18 | C21 | C23 | 18.5° | 59.9° |
| C18 | C19 | C25 | H56 | 180.0° | 180.0° |
| C18 | C19 | C25 | C24 | 0.9° | 0.0° |
| C18 | C19 | C25 | C26 | 178.8° | 180.0° |
| C19 | C18 | C21 | H58 | 139.5° | 179.9° |
| C20 | C17 | C18 | C21 | 178.6° | 180.0° |
| C17 | C20 | C24 | H57 | 180.0° | 180.0° |
| C17 | C20 | C24 | C25 | 1.4° | 0.0° |
| C17 | C20 | C24 | C28 | 179.9° | 180.0° |
| C18 | C21 | C22 | C23 | 127.3° | 120.0° |
| C18 | C21 | C22 | H58 | 117.8° | 120.0° |
| C18 | C21 | C23 | H58 | 120.6° | 120.1° |
| C21 | C18 | C19 | C25 | 179.4° | 179.9° |
| C21 | C18 | C19 | H56 | 0.6° | 0.1° |
| C18 | C21 | C22 | H59 | 180.0° | 60.0° |
| C18 | C21 | C22 | H61 | 60.0° | 180.0° |
| C18 | C21 | C22 | H60 | 60.0° | 60.0° |
| C18 | C21 | C23 | H62 | 180.0° | 60.0° |
| C18 | C21 | C23 | H64 | 60.0° | 180.0° |
| C18 | C21 | C23 | H63 | 60.0° | 59.9° |
| C22 | C21 | C23 | H58 | 114.4° | 119.9° |
| C21 | C22 | H59 | H61 | 120.0° | 120.0° |
| C21 | C22 | H59 | H60 | 120.0° | 120.0° |
| C21 | C22 | H61 | H60 | 120.0° | 120.0° |
| C22 | C21 | C23 | H62 | 55.1° | 180.0° |
| C22 | C21 | C23 | H64 | 64.9° | 60.0° |
| C22 | C21 | C23 | H63 | 175.1° | 60.1° |
| C23 | C21 | C22 | H59 | 52.7° | 60.0° |
| C23 | C21 | C22 | H61 | 172.7° | 60.0° |
| C23 | C21 | C22 | H60 | 67.3° | 180.0° |
| C21 | C23 | H62 | H64 | 120.0° | 120.0° |
| C21 | C23 | H62 | H63 | 120.0° | 120.0° |
| C21 | C23 | H64 | H63 | 120.0° | 120.1° |
| C20 | C24 | C25 | C19 | 0.5° | 0.0° |
| C20 | C24 | C25 | C28 | 178.9° | 180.0° |
| C20 | C24 | C25 | C26 | 178.9° | 180.0° |
| C20 | C24 | C28 | C27 | 165.3° | 162.8° |
| C20 | C24 | C28 | C29 | 78.4° | 78.2° |
| C20 | C24 | C28 | C30 | 41.3° | 43.9° |
| C19 | C25 | C24 | C26 | 178.3° | 180.0° |
| C19 | C25 | C26 | C27 | 166.2° | 162.8° |
| C19 | C25 | C24 | C28 | 178.3° | 180.0° |
| C19 | C25 | C26 | H66 | 46.8° | 43.9° |
| C19 | C25 | C26 | H65 | 74.4° | 78.3° |
| C24 | C25 | C26 | C27 | 15.7° | 17.2° |
| C25 | C24 | C28 | C27 | 16.1° | 17.2° |
| C25 | C24 | C28 | C29 | 100.2° | 101.7° |
| C25 | C24 | C28 | C30 | 140.1° | 136.1° |
| C24 | C25 | C19 | H56 | 179.1° | 180.0° |
| C25 | C24 | C20 | H57 | 178.6° | 180.0° |
| C24 | C25 | C26 | H66 | 135.1° | 136.2° |
| C24 | C25 | C26 | H65 | 103.7° | 101.7° |
| C25 | C26 | C27 | H66 | 119.4° | 118.9° |
| C25 | C26 | C27 | H65 | 119.4° | 118.9° |
| C26 | C25 | C24 | C28 | 0.0° | 0.0° |
| C25 | C26 | C27 | C28 | 25.9° | 26.4° |
| C26 | C25 | C19 | H56 | 1.3° | 0.0° |
| C25 | C26 | H66 | H65 | 121.7° | 122.1° |
| C25 | C26 | C27 | H67 | 93.6° | 91.9° |
| C25 | C26 | C27 | H68 | 145.3° | 144.7° |
| C26 | C27 | C28 | C24 | 25.7° | 26.4° |
| C26 | C27 | C28 | H67 | 119.5° | 118.3° |
| C26 | C27 | C28 | H68 | 119.5° | 118.2° |
| C26 | C27 | C28 | C29 | 94.4° | 92.6° |
| C26 | C27 | C28 | C30 | 148.4° | 145.3° |
| C27 | C26 | H66 | H65 | 121.7° | 122.2° |
| C26 | C27 | H67 | H68 | 121.5° | 123.4° |
| C24 | C28 | C27 | C29 | 120.1° | 119.0° |
| C24 | C28 | C27 | C30 | 122.7° | 118.9° |
| C24 | C28 | C29 | C30 | 122.6° | 122.1° |
| C28 | C24 | C20 | H57 | 0.1° | 0.0° |
| C24 | C28 | C27 | H67 | 93.8° | 91.9° |
| C24 | C28 | C27 | H68 | 145.1° | 144.6° |
| C24 | C28 | C29 | H69 | 180.0° | 60.0° |
| C24 | C28 | C29 | H70 | 60.0° | 180.0° |
| C24 | C28 | C29 | H71 | 60.0° | 60.0° |
| C24 | C28 | C30 | H72 | 180.0° | 60.0° |
| C24 | C28 | C30 | H74 | 60.0° | 180.0° |
| C24 | C28 | C30 | H73 | 60.0° | 60.1° |
| C27 | C28 | C29 | C30 | 121.9° | 122.1° |
| C28 | C27 | C26 | H66 | 145.3° | 145.3° |
| C28 | C27 | C26 | H65 | 93.6° | 92.5° |
| C28 | C27 | H67 | H68 | 121.5° | 123.5° |
| C27 | C28 | C29 | H69 | 64.5° | 175.8° |
| C27 | C28 | C29 | H70 | 55.5° | 64.2° |
| C27 | C28 | C29 | H71 | 175.5° | 55.8° |
| C27 | C28 | C30 | H72 | 60.7° | 55.7° |
| C27 | C28 | C30 | H74 | 179.3° | 64.3° |
| C27 | C28 | C30 | H73 | 59.3° | 175.8° |
| C29 | C28 | C27 | H67 | 146.1° | 149.2° |
| C29 | C28 | C27 | H68 | 25.1° | 25.7° |
| C28 | C29 | H69 | H70 | 120.0° | 120.0° |
| C28 | C29 | H69 | H71 | 120.0° | 120.0° |
| C28 | C29 | H70 | H71 | 120.0° | 120.0° |
| C29 | C28 | C30 | H72 | 56.8° | 177.9° |
| C29 | C28 | C30 | H74 | 63.2° | 57.9° |
| C29 | C28 | C30 | H73 | 176.8° | 62.1° |
| C30 | C28 | C27 | H67 | 28.9° | 27.0° |
| C30 | C28 | C27 | H68 | 92.2° | 96.5° |
| C30 | C28 | C29 | H69 | 57.4° | 62.1° |
| C30 | C28 | C29 | H70 | 177.4° | 57.9° |
| C30 | C28 | C29 | H71 | 62.6° | 177.9° |
| C28 | C30 | H72 | H74 | 120.0° | 120.0° |
| C28 | C30 | H72 | H73 | 120.0° | 120.0° |
| C28 | C30 | H74 | H73 | 120.0° | 120.0° |
| N09 | C31 | O32 | C33 | 177.9° | 180.0° |
| N09 | C31 | C33 | C34 | 133.9° | 162.3° |
| N09 | C31 | C33 | C36 | 45.9° | 18.1° |
| C31 | N09 | C10 | H52 | 63.3° | 22.9° |
| C31 | N09 | C10 | H53 | 57.3° | 100.4° |
| C31 | N09 | C08 | H51 | 63.0° | 84.9° |
| C31 | N09 | C08 | H50 | 56.5° | 36.6° |
| O32 | C31 | C33 | C34 | 43.8° | 17.7° |
| O32 | C31 | C33 | C36 | 136.4° | 161.9° |
| C31 | C33 | C34 | C36 | 179.8° | 179.6° |
| C31 | C33 | C36 | C35 | 179.6° | 180.0° |
| C31 | C33 | C34 | C38 | 179.4° | 179.9° |
| C31 | C33 | C34 | H75 | 0.6° | 0.1° |
| C31 | C33 | C36 | H77 | 0.4° | 0.1° |
| C34 | C33 | C36 | C35 | 0.2° | 0.3° |
| C33 | C34 | C38 | H75 | 180.0° | 179.9° |
| C33 | C34 | C38 | C37 | 1.2° | 0.0° |
| C33 | C34 | C38 | N39 | 179.4° | 180.0° |
| C34 | C33 | C36 | H77 | 179.8° | 179.8° |
| C33 | C36 | C35 | H77 | 180.0° | 179.9° |
| C33 | C36 | C35 | C37 | 0.8° | 0.0° |
| C36 | C33 | C34 | C38 | 0.9° | 0.3° |
| C36 | C33 | C34 | H75 | 179.1° | 179.8° |
| C33 | C36 | C35 | H76 | 179.2° | 180.0° |
| C36 | C35 | C37 | H76 | 180.0° | 180.0° |
| C36 | C35 | C37 | C38 | 0.4° | 0.3° |
| C36 | C35 | C37 | N41 | 179.6° | 179.9° |
| C35 | C37 | C38 | C34 | 0.6° | 0.3° |
| C35 | C37 | C38 | N41 | 179.4° | 179.7° |
| C35 | C37 | C38 | N39 | 179.2° | 179.7° |
| C35 | C37 | N41 | N40 | 180.0° | 179.7° |
| C37 | C35 | C36 | H77 | 179.2° | 179.9° |
| C35 | C37 | N41 | H78 | 0.0° | 0.1° |
| C34 | C38 | C37 | N39 | 178.5° | 180.0° |
| C34 | C38 | N39 | N40 | 179.4° | 180.0° |
| C34 | C38 | C37 | N41 | 178.8° | 180.0° |
| C37 | C38 | N39 | N40 | 1.1° | 0.0° |
| C38 | C37 | N41 | N40 | 0.7° | 0.1° |
| C37 | C38 | C34 | H75 | 178.8° | 179.9° |
| C38 | C37 | C35 | H76 | 179.6° | 179.7° |
| C38 | C37 | N41 | H78 | 179.3° | 179.7° |
| N39 | C38 | C37 | N41 | 0.2° | 0.0° |
| C38 | N39 | N40 | N41 | 1.6° | 0.0° |
| N39 | C38 | C34 | H75 | 0.6° | 0.0° |
| N39 | N40 | N41 | C37 | 1.4° | 0.1° |
| N39 | N40 | N41 | H78 | 178.6° | 179.7° |
| C37 | N41 | N40 | H78 | 180.0° | 179.7° |
| N41 | C37 | C35 | H76 | 0.4° | 0.1° |
| H42 | C02 | C03 | H44 | 17.6° | 72.6° |
| H42 | C02 | C03 | H45 | 100.5° | 44.6° |
| H43 | C02 | C03 | H44 | 134.0° | 167.5° |
| H43 | C02 | C03 | H45 | 15.9° | 75.3° |
| H47 | C04 | C05 | H48 | 72.6° | 38.6° |
| H47 | C04 | C05 | H49 | 171.7° | 77.9° |
| H46 | C04 | C05 | H48 | 45.0° | 79.4° |
| H46 | C04 | C05 | H49 | 70.7° | 164.1° |
| H48 | C05 | C07 | H12 | 58.8° | 39.2° |
| H49 | C05 | C07 | H12 | 174.5° | 155.7° |
| H11 | C06 | C07 | H12 | 7.1° | 28.2° |
| H11 | C06 | C10 | H52 | 126.9° | 87.2° |
| H11 | C06 | C10 | H53 | 6.2° | 36.1° |
| H11 | C06 | C03 | H44 | 158.4° | 163.8° |
| H11 | C06 | C03 | H45 | 40.3° | 79.0° |
| H12 | C07 | C08 | H51 | 9.5° | 7.3° |
| H12 | C07 | C08 | H50 | 129.0° | 128.9° |
| H58 | C21 | C22 | H59 | 62.2° | 180.0° |
| H58 | C21 | C22 | H61 | 57.8° | 60.0° |
| H58 | C21 | C22 | H60 | 177.8° | 60.1° |
| H58 | C21 | C23 | H62 | 59.4° | 60.0° |
| H58 | C21 | C23 | H64 | 179.4° | 59.9° |
| H58 | C21 | C23 | H63 | 60.6° | 180.0° |
| H59 | C22 | H61 | H60 | 120.0° | 120.0° |
| H62 | C23 | H64 | H63 | 120.0° | 119.9° |
| H66 | C26 | C27 | H67 | 25.8° | 27.0° |
| H66 | C26 | C27 | H68 | 95.2° | 96.4° |
| H65 | C26 | C27 | H67 | 146.9° | 149.2° |
| H65 | C26 | C27 | H68 | 25.9° | 25.7° |
| H69 | C29 | H70 | H71 | 119.9° | 120.0° |
| H72 | C30 | H74 | H73 | 120.0° | 120.1° |
| H76 | C35 | C36 | H77 | 0.8° | 0.1° |
