A1BEK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | O01 | doub | 1.22Å | 1.16Å | |
| N03 | C02 | sing | 1.35Å | 1.44Å | |
| C04 | N03 | sing | 1.36Å | 1.45Å | |
| N05 | C04 | sing | 1.37Å | 1.49Å | |
| N06 | C04 | doub | 1.31Å | 1.48Å | |
| C07 | N06 | sing | 1.35Å | 1.51Å | |
| C08 | C07 | doub | 1.40Å | 1.41Å | Aromatic |
| N09 | C08 | sing | 1.38Å | 1.35Å | Aromatic |
| C10 | N09 | sing | 1.46Å | 1.53Å | |
| C11 | N09 | sing | 1.35Å | 1.33Å | Aromatic |
| N12 | C11 | doub | 1.31Å | 1.34Å | Aromatic |
| C13 | N12 | sing | 1.47Å | 1.47Å | |
| O15 | C14 | sing | 1.43Å | 1.51Å | |
| C14 | C13 | sing | 1.54Å | 1.30Å | |
| O16 | C13 | sing | 1.44Å | 1.62Å | |
| C17 | O16 | sing | 1.44Å | 1.31Å | |
| O19 | C18 | sing | 1.43Å | 1.43Å | |
| P20 | O19 | sing | 1.61Å | 1.68Å | |
| P22 | O21 | sing | 1.61Å | 1.66Å | |
| P24 | O23 | sing | 1.61Å | 1.66Å | |
| C26 | O25 | sing | 1.43Å | 1.41Å | |
| C27 | C26 | sing | 1.53Å | 1.46Å | |
| O28 | C27 | sing | 1.44Å | 1.66Å | |
| C29 | O28 | sing | 1.44Å | 1.30Å | |
| O32 | C31 | sing | 1.43Å | 1.48Å | |
| P33 | O32 | sing | 1.61Å | 1.66Å | |
| O34 | P33 | doub | 1.48Å | 1.50Å | |
| O35 | P33 | sing | 1.61Å | 1.52Å | |
| O36 | P33 | sing | 1.61Å | 1.51Å | |
| C31 | C30 | sing | 1.55Å | 1.55Å | |
| O37 | C30 | sing | 1.43Å | 1.34Å | |
| C38 | O37 | sing | 1.43Å | 1.44Å | |
| C30 | C29 | sing | 1.54Å | 1.61Å | |
| N39 | C29 | sing | 1.47Å | 1.46Å | |
| C40 | N39 | sing | 1.37Å | 1.34Å | Aromatic |
| N41 | C40 | doub | 1.33Å | 1.35Å | Aromatic |
| C42 | N41 | sing | 1.32Å | 1.32Å | Aromatic |
| N43 | C42 | doub | 1.32Å | 1.33Å | Aromatic |
| C44 | N43 | sing | 1.33Å | 1.32Å | Aromatic |
| N45 | C44 | sing | 1.38Å | 1.49Å | |
| C46 | C44 | doub | 1.41Å | 1.42Å | Aromatic |
| N47 | C46 | sing | 1.35Å | 1.34Å | Aromatic |
| C48 | N47 | doub | 1.30Å | 1.33Å | Aromatic |
| O25 | P24 | sing | 1.61Å | 1.67Å | |
| O49 | P24 | sing | 1.61Å | 1.53Å | |
| O50 | P24 | doub | 1.48Å | 1.52Å | |
| O23 | P22 | sing | 1.61Å | 1.66Å | |
| O51 | P22 | doub | 1.48Å | 1.50Å | |
| O52 | P22 | sing | 1.61Å | 1.51Å | |
| O21 | P20 | sing | 1.61Å | 1.66Å | |
| O53 | P20 | doub | 1.48Å | 1.50Å | |
| O54 | P20 | sing | 1.61Å | 1.51Å | |
| C18 | C17 | sing | 1.53Å | 1.56Å | |
| C55 | C17 | sing | 1.54Å | 1.54Å | |
| O56 | C55 | sing | 1.43Å | 1.36Å | |
| C02 | C08 | sing | 1.41Å | 1.52Å | |
| C07 | N12 | sing | 1.34Å | 1.35Å | Aromatic |
| C14 | C55 | sing | 1.54Å | 1.55Å | |
| C27 | C31 | sing | 1.55Å | 1.35Å | |
| N39 | C48 | sing | 1.36Å | 1.33Å | Aromatic |
| C40 | C46 | sing | 1.41Å | 1.38Å | Aromatic |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H103 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C38 | H383 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C42 | H421 | sing | 1.08Å | 1.08Å | |
| C48 | H481 | sing | 1.08Å | 1.08Å | |
| C55 | H551 | sing | 1.09Å | 1.10Å | |
| N03 | H031 | sing | 0.97Å | 1.00Å | |
| N05 | H052 | sing | 0.97Å | 1.00Å | |
| N05 | H051 | sing | 0.97Å | 1.00Å | |
| N45 | H452 | sing | 0.97Å | 1.00Å | |
| N45 | H451 | sing | 0.97Å | 1.00Å | |
| O15 | H151 | sing | 0.97Å | 0.95Å | |
| O35 | H1 | sing | 0.97Å | 0.95Å | |
| O36 | H2 | sing | 0.97Å | 0.95Å | |
| O49 | H3 | sing | 0.97Å | 0.95Å | |
| O52 | H4 | sing | 0.97Å | 0.95Å | |
| O54 | H5 | sing | 0.97Å | 0.95Å | |
| O56 | H561 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | N03 | 119.1° | 120.8° |
| O01 | C02 | C08 | 120.7° | 120.8° |
| C02 | N03 | C04 | 120.3° | 120.3° |
| N03 | C02 | C08 | 120.2° | 118.4° |
| C02 | N03 | H031 | 119.8° | 119.8° |
| N03 | C04 | N05 | 117.5° | 119.0° |
| N03 | C04 | N06 | 119.5° | 122.0° |
| C04 | N03 | H031 | 119.8° | 119.9° |
| N05 | C04 | N06 | 123.0° | 119.0° |
| C04 | N05 | H052 | 120.0° | 120.1° |
| C04 | N05 | H051 | 120.0° | 120.0° |
| C04 | N06 | C07 | 120.5° | 121.0° |
| N06 | C07 | C08 | 119.0° | 119.3° |
| N06 | C07 | N12 | 135.0° | 133.9° |
| C07 | C08 | N09 | 107.3° | 106.2° |
| C07 | C08 | C02 | 120.5° | 119.1° |
| C08 | C07 | N12 | 106.0° | 106.9° |
| C08 | N09 | C10 | 126.6° | 126.4° |
| C08 | N09 | C11 | 108.2° | 107.1° |
| N09 | C08 | C02 | 132.2° | 134.7° |
| C10 | N09 | C11 | 125.2° | 126.5° |
| N09 | C10 | H102 | 109.5° | 109.4° |
| N09 | C10 | H103 | 109.5° | 109.5° |
| N09 | C10 | H101 | 109.5° | 109.4° |
| N09 | C11 | N12 | 110.0° | 110.0° |
| N09 | C11 | H111 | 125.0° | 125.0° |
| C11 | N12 | C13 | 121.8° | 125.1° |
| C11 | N12 | C07 | 108.4° | 109.8° |
| N12 | C11 | H111 | 125.0° | 125.0° |
| N12 | C13 | C14 | 113.4° | 110.4° |
| N12 | C13 | O16 | 107.6° | 110.4° |
| C13 | N12 | C07 | 129.8° | 125.1° |
| N12 | C13 | H131 | 108.8° | 110.3° |
| O15 | C14 | C13 | 108.3° | 110.5° |
| O15 | C14 | C55 | 108.5° | 110.5° |
| O15 | C14 | H141 | 109.8° | 110.5° |
| C14 | O15 | H151 | 109.5° | 114.0° |
| C14 | C13 | O16 | 108.4° | 104.8° |
| C13 | C14 | C55 | 108.0° | 104.1° |
| C13 | C14 | H141 | 113.0° | 110.5° |
| C14 | C13 | H131 | 111.4° | 110.4° |
| C13 | O16 | C17 | 109.7° | 105.2° |
| O16 | C13 | H131 | 107.0° | 110.4° |
| O16 | C17 | C18 | 111.3° | 110.3° |
| O16 | C17 | C55 | 107.1° | 104.8° |
| O16 | C17 | H171 | 111.1° | 110.3° |
| C18 | O19 | P20 | 118.8° | 122.9° |
| O19 | C18 | C17 | 111.8° | 109.5° |
| O19 | C18 | H181 | 108.9° | 109.5° |
| O19 | C18 | H182 | 108.9° | 109.5° |
| O19 | P20 | O21 | 109.1° | 109.5° |
| O19 | P20 | O53 | 110.6° | 109.5° |
| O19 | P20 | O54 | 108.7° | 109.5° |
| O21 | P22 | O23 | 107.8° | 109.5° |
| O21 | P22 | O51 | 111.1° | 109.4° |
| O21 | P22 | O52 | 109.4° | 109.5° |
| P22 | O21 | P20 | 119.3° | 134.1° |
| O23 | P24 | O25 | 105.5° | 109.4° |
| O23 | P24 | O49 | 109.1° | 109.5° |
| O23 | P24 | O50 | 110.7° | 109.5° |
| P24 | O23 | P22 | 120.2° | 134.0° |
| O25 | C26 | C27 | 109.7° | 109.5° |
| C26 | O25 | P24 | 120.4° | 123.0° |
| O25 | C26 | H262 | 109.4° | 109.5° |
| O25 | C26 | H261 | 109.4° | 109.4° |
| C26 | C27 | O28 | 109.8° | 110.4° |
| C26 | C27 | C31 | 110.7° | 110.4° |
| C27 | C26 | H262 | 109.4° | 109.5° |
| C27 | C26 | H261 | 109.4° | 109.5° |
| C26 | C27 | H271 | 109.7° | 110.4° |
| C27 | O28 | C29 | 108.2° | 105.3° |
| O28 | C27 | C31 | 107.8° | 104.8° |
| O28 | C27 | H271 | 107.3° | 110.4° |
| O28 | C29 | C30 | 105.2° | 104.8° |
| O28 | C29 | N39 | 110.0° | 110.4° |
| O28 | C29 | H291 | 110.2° | 110.4° |
| C31 | O32 | P33 | 124.5° | 123.0° |
| O32 | C31 | C30 | 112.0° | 110.5° |
| O32 | C31 | C27 | 110.8° | 110.5° |
| O32 | C31 | H311 | 108.5° | 110.6° |
| O32 | P33 | O34 | 112.3° | 109.4° |
| O32 | P33 | O35 | 108.6° | 109.5° |
| O32 | P33 | O36 | 110.0° | 109.4° |
| O34 | P33 | O35 | 108.4° | 109.5° |
| O34 | P33 | O36 | 109.0° | 109.4° |
| O35 | P33 | O36 | 108.5° | 109.5° |
| P33 | O35 | H1 | 109.5° | 114.1° |
| P33 | O36 | H2 | 109.5° | 114.0° |
| C31 | C30 | O37 | 112.1° | 110.6° |
| C31 | C30 | C29 | 105.5° | 104.1° |
| C30 | C31 | C27 | 107.5° | 104.1° |
| C31 | C30 | H301 | 107.6° | 110.4° |
| C30 | C31 | H311 | 107.6° | 110.5° |
| C30 | O37 | C38 | 112.9° | 114.0° |
| O37 | C30 | C29 | 113.8° | 110.5° |
| O37 | C30 | H301 | 110.5° | 110.5° |
| O37 | C38 | H382 | 109.5° | 109.4° |
| O37 | C38 | H383 | 109.5° | 109.5° |
| O37 | C38 | H381 | 109.5° | 109.5° |
| C30 | C29 | N39 | 116.9° | 110.4° |
| C30 | C29 | H291 | 106.2° | 110.4° |
| C29 | C30 | H301 | 106.9° | 110.5° |
| C29 | N39 | C40 | 123.4° | 126.3° |
| C29 | N39 | C48 | 128.8° | 126.2° |
| N39 | C29 | H291 | 108.0° | 110.3° |
| N39 | C40 | N41 | 132.4° | 134.9° |
| C40 | N39 | C48 | 107.8° | 107.5° |
| N39 | C40 | C46 | 107.2° | 106.0° |
| C40 | N41 | C42 | 119.9° | 120.6° |
| N41 | C40 | C46 | 120.4° | 119.1° |
| N41 | C42 | N43 | 121.5° | 122.5° |
| N41 | C42 | H421 | 119.2° | 118.7° |
| C42 | N43 | C44 | 122.0° | 121.2° |
| N43 | C42 | H421 | 119.2° | 118.8° |
| N43 | C44 | N45 | 120.4° | 120.8° |
| N43 | C44 | C46 | 118.4° | 118.5° |
| N45 | C44 | C46 | 121.2° | 120.7° |
| C44 | N45 | H452 | 109.5° | 120.0° |
| C44 | N45 | H451 | 109.5° | 120.0° |
| C44 | C46 | N47 | 134.9° | 134.7° |
| C44 | C46 | C40 | 117.8° | 118.1° |
| C46 | N47 | C48 | 107.7° | 109.5° |
| N47 | C46 | C40 | 107.3° | 107.1° |
| N47 | C48 | N39 | 110.0° | 109.9° |
| N47 | C48 | H481 | 125.0° | 125.0° |
| O25 | P24 | O49 | 110.5° | 109.5° |
| O25 | P24 | O50 | 111.0° | 109.5° |
| O49 | P24 | O50 | 110.0° | 109.5° |
| P24 | O49 | H3 | 109.5° | 114.1° |
| O23 | P22 | O51 | 109.2° | 109.5° |
| O23 | P22 | O52 | 109.8° | 109.5° |
| O51 | P22 | O52 | 109.4° | 109.5° |
| P22 | O52 | H4 | 109.5° | 114.0° |
| O21 | P20 | O53 | 110.4° | 109.5° |
| O21 | P20 | O54 | 108.5° | 109.5° |
| O53 | P20 | O54 | 109.5° | 109.4° |
| P20 | O54 | H5 | 109.5° | 114.0° |
| C18 | C17 | C55 | 112.1° | 110.4° |
| C17 | C18 | H181 | 108.9° | 109.4° |
| C17 | C18 | H182 | 108.9° | 109.4° |
| C18 | C17 | H171 | 107.5° | 110.3° |
| C17 | C55 | O56 | 110.9° | 110.5° |
| C17 | C55 | C14 | 106.6° | 104.1° |
| C55 | C17 | H171 | 107.7° | 110.5° |
| C17 | C55 | H551 | 108.6° | 110.5° |
| O56 | C55 | C14 | 110.9° | 110.5° |
| O56 | C55 | H551 | 111.2° | 110.6° |
| C55 | O56 | H561 | 109.5° | 114.0° |
| C55 | C14 | H141 | 109.2° | 110.6° |
| C14 | C55 | H551 | 108.5° | 110.5° |
| C31 | C27 | H271 | 111.5° | 110.4° |
| C27 | C31 | H311 | 110.4° | 110.5° |
| N39 | C48 | H481 | 125.0° | 125.0° |
| H181 | C18 | H182 | 109.4° | 109.5° |
| H102 | C10 | H103 | 109.5° | 109.5° |
| H102 | C10 | H101 | 109.5° | 109.5° |
| H103 | C10 | H101 | 109.4° | 109.5° |
| H262 | C26 | H261 | 109.4° | 109.5° |
| H382 | C38 | H383 | 109.5° | 109.5° |
| H382 | C38 | H381 | 109.4° | 109.4° |
| H383 | C38 | H381 | 109.5° | 109.5° |
| H052 | N05 | H051 | 120.0° | 119.9° |
| H452 | N45 | H451 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | N03 | C08 | 179.9° | 179.9° |
| O01 | C02 | N03 | C04 | 179.9° | 179.7° |
| O01 | C02 | C08 | C07 | 179.9° | 180.0° |
| O01 | C02 | C08 | N09 | 0.1° | 0.1° |
| O01 | C02 | N03 | H031 | 0.1° | 0.3° |
| C02 | N03 | C04 | H031 | 180.0° | 180.0° |
| C02 | N03 | C04 | N05 | 179.9° | 179.9° |
| C02 | N03 | C04 | N06 | 0.0° | 0.5° |
| N03 | C02 | C08 | C07 | 0.0° | 0.1° |
| N03 | C02 | C08 | N09 | 180.0° | 179.8° |
| N03 | C04 | N05 | N06 | 179.9° | 179.4° |
| N03 | C04 | N06 | C07 | 0.0° | 0.5° |
| C04 | N03 | C02 | C08 | 0.0° | 0.2° |
| N03 | C04 | N05 | H052 | 179.9° | 0.0° |
| N03 | C04 | N05 | H051 | 0.1° | 180.0° |
| N05 | C04 | N06 | C07 | 180.0° | 179.9° |
| N05 | C04 | N03 | H031 | 0.1° | 0.0° |
| C04 | N05 | H052 | H051 | 180.0° | 179.9° |
| C04 | N06 | C07 | C08 | 0.0° | 0.2° |
| C04 | N06 | C07 | N12 | 179.5° | 179.9° |
| N06 | C04 | N03 | H031 | 180.0° | 179.4° |
| N06 | C04 | N05 | H052 | 0.0° | 179.5° |
| N06 | C04 | N05 | H051 | 180.0° | 0.6° |
| N06 | C07 | C08 | N12 | 179.7° | 179.9° |
| N06 | C07 | C08 | N09 | 180.0° | 179.8° |
| N06 | C07 | N12 | C11 | 179.9° | 179.9° |
| N06 | C07 | N12 | C13 | 1.3° | 0.1° |
| N06 | C07 | C08 | C02 | 0.0° | 0.1° |
| C07 | C08 | N09 | C02 | 180.0° | 179.9° |
| C07 | C08 | N09 | C10 | 180.0° | 179.6° |
| C07 | C08 | N09 | C11 | 0.0° | 0.3° |
| C08 | C07 | N12 | C11 | 0.6° | 0.2° |
| C08 | C07 | N12 | C13 | 179.1° | 179.8° |
| C08 | N09 | C10 | C11 | 179.9° | 179.9° |
| C08 | N09 | C11 | N12 | 0.4° | 0.2° |
| N09 | C08 | C07 | N12 | 0.3° | 0.3° |
| C08 | N09 | C11 | H111 | 179.6° | 180.0° |
| C08 | N09 | C10 | H102 | 180.0° | 90.0° |
| C08 | N09 | C10 | H103 | 60.0° | 30.0° |
| C08 | N09 | C10 | H101 | 60.0° | 150.1° |
| C10 | N09 | C11 | N12 | 179.7° | 179.7° |
| C10 | N09 | C08 | C02 | 0.0° | 0.3° |
| C10 | N09 | C11 | H111 | 0.4° | 0.0° |
| N09 | C10 | H102 | H103 | 120.0° | 120.0° |
| N09 | C10 | H102 | H101 | 120.0° | 119.9° |
| N09 | C10 | H103 | H101 | 120.0° | 120.0° |
| N09 | C11 | N12 | H111 | 180.0° | 179.8° |
| N09 | C11 | N12 | C13 | 179.3° | 180.0° |
| C11 | N09 | C08 | C02 | 180.0° | 179.8° |
| N09 | C11 | N12 | C07 | 0.6° | 0.0° |
| C11 | N09 | C10 | H102 | 0.0° | 89.9° |
| C11 | N09 | C10 | H103 | 120.1° | 150.1° |
| C11 | N09 | C10 | H101 | 120.0° | 30.0° |
| C11 | N12 | C13 | C07 | 178.4° | 180.0° |
| C11 | N12 | C13 | C14 | 107.7° | 95.0° |
| C11 | N12 | C13 | O16 | 12.1° | 20.4° |
| C11 | N12 | C13 | H131 | 127.8° | 142.7° |
| N12 | C13 | C14 | O15 | 126.9° | 98.5° |
| N12 | C13 | C14 | O16 | 119.4° | 118.8° |
| N12 | C13 | C14 | H131 | 123.1° | 122.2° |
| N12 | C13 | O16 | H131 | 116.9° | 122.2° |
| N12 | C13 | O16 | C17 | 118.1° | 159.3° |
| N12 | C13 | C14 | C55 | 115.8° | 142.8° |
| N12 | C13 | C14 | H141 | 5.1° | 24.1° |
| C13 | N12 | C11 | H111 | 0.7° | 0.2° |
| O15 | C14 | C13 | C55 | 117.3° | 118.6° |
| O15 | C14 | C13 | H141 | 121.8° | 122.7° |
| O15 | C14 | C13 | O16 | 113.7° | 142.6° |
| O15 | C14 | C55 | C17 | 115.5° | 118.7° |
| O15 | C14 | C55 | O56 | 123.7° | 122.7° |
| O15 | C14 | C55 | H141 | 119.6° | 122.7° |
| O15 | C14 | C13 | H131 | 3.8° | 23.7° |
| O15 | C14 | C55 | H551 | 1.3° | 0.0° |
| C14 | C13 | O16 | H131 | 120.2° | 118.9° |
| C14 | C13 | O16 | C17 | 4.8° | 40.5° |
| C13 | C14 | C55 | C17 | 1.6° | 0.0° |
| C13 | C14 | C55 | O56 | 119.2° | 118.6° |
| C14 | C13 | N12 | C07 | 73.9° | 85.0° |
| C13 | C14 | C55 | H141 | 123.3° | 118.7° |
| C13 | C14 | C55 | H551 | 118.5° | 118.6° |
| C13 | C14 | O15 | H151 | 180.0° | 180.0° |
| C13 | O16 | C17 | C18 | 119.3° | 159.4° |
| C13 | O16 | C17 | C55 | 3.5° | 40.5° |
| O16 | C13 | N12 | C07 | 166.3° | 159.6° |
| O16 | C13 | C14 | C55 | 3.6° | 24.0° |
| O16 | C13 | C14 | H141 | 124.5° | 94.7° |
| C13 | O16 | C17 | H171 | 120.9° | 78.5° |
| O16 | C17 | C18 | O19 | 67.4° | 66.4° |
| O16 | C17 | C18 | C55 | 119.9° | 115.4° |
| O16 | C17 | C18 | H171 | 121.9° | 122.2° |
| O16 | C17 | C55 | H171 | 119.6° | 118.8° |
| O16 | C17 | C55 | O56 | 122.3° | 94.7° |
| O16 | C17 | C55 | C14 | 1.5° | 23.9° |
| O16 | C17 | C18 | H181 | 172.2° | 173.5° |
| O16 | C17 | C18 | H182 | 53.0° | 53.6° |
| C17 | O16 | C13 | H131 | 125.0° | 78.4° |
| O16 | C17 | C55 | H551 | 115.2° | 142.6° |
| C18 | O19 | P20 | O21 | 58.0° | 175.0° |
| C18 | O19 | P20 | O53 | 63.7° | 55.0° |
| C18 | O19 | P20 | O54 | 176.1° | 65.0° |
| O19 | C18 | C17 | H181 | 120.4° | 120.0° |
| O19 | C18 | C17 | H182 | 120.4° | 120.0° |
| O19 | C18 | C17 | C55 | 52.5° | 178.2° |
| O19 | C18 | H181 | H182 | 118.9° | 120.1° |
| O19 | C18 | C17 | H171 | 170.7° | 55.8° |
| O19 | P20 | O21 | P22 | 64.8° | 160.0° |
| O19 | P20 | O21 | O53 | 121.8° | 120.0° |
| O19 | P20 | O21 | O54 | 118.2° | 120.1° |
| O19 | P20 | O53 | O54 | 119.7° | 120.0° |
| P20 | O19 | C18 | C17 | 166.4° | 179.9° |
| P20 | O19 | C18 | H181 | 73.2° | 60.0° |
| P20 | O19 | C18 | H182 | 46.0° | 60.1° |
| O19 | P20 | O54 | H5 | 120.9° | 60.0° |
| O21 | P22 | O23 | P24 | 132.4° | 165.0° |
| O21 | P22 | O23 | O51 | 120.9° | 120.0° |
| O21 | P22 | O23 | O52 | 119.2° | 120.0° |
| O21 | P22 | O51 | O52 | 120.9° | 120.0° |
| P22 | O21 | P20 | O53 | 173.4° | 40.0° |
| P22 | O21 | P20 | O54 | 53.4° | 80.0° |
| O21 | P22 | O52 | H4 | 121.9° | 60.1° |
| O23 | P24 | O25 | C26 | 178.2° | 175.1° |
| O23 | P24 | O25 | O49 | 117.8° | 120.0° |
| O23 | P24 | O25 | O50 | 120.0° | 120.0° |
| O23 | P24 | O49 | O50 | 121.6° | 120.0° |
| P24 | O23 | P22 | O51 | 11.5° | 45.0° |
| P24 | O23 | P22 | O52 | 108.4° | 75.0° |
| O23 | P24 | O49 | H3 | 121.6° | 60.0° |
| O25 | C26 | C27 | H262 | 120.1° | 120.0° |
| O25 | C26 | C27 | H261 | 120.1° | 119.9° |
| O25 | C26 | C27 | O28 | 160.3° | 69.6° |
| C26 | O25 | P24 | O49 | 60.4° | 65.0° |
| C26 | O25 | P24 | O50 | 61.8° | 55.1° |
| O25 | C26 | C27 | C31 | 41.4° | 175.1° |
| O25 | C26 | H262 | H261 | 119.9° | 119.9° |
| O25 | C26 | C27 | H271 | 82.0° | 52.8° |
| C26 | C27 | O28 | C31 | 120.6° | 118.8° |
| C26 | C27 | O28 | H271 | 119.2° | 122.3° |
| C26 | C27 | O28 | C29 | 101.9° | 159.4° |
| C26 | C27 | C31 | O32 | 120.2° | 98.6° |
| C26 | C27 | C31 | C30 | 117.1° | 142.8° |
| C27 | C26 | O25 | P24 | 147.2° | 180.0° |
| C26 | C27 | C31 | H271 | 122.4° | 122.3° |
| C27 | C26 | H262 | H261 | 119.8° | 120.0° |
| C26 | C27 | C31 | H311 | 0.0° | 24.2° |
| O28 | C27 | C31 | O32 | 119.7° | 142.6° |
| O28 | C27 | C31 | C30 | 3.0° | 24.0° |
| C27 | O28 | C29 | C30 | 23.8° | 40.5° |
| C27 | O28 | C29 | N39 | 103.0° | 159.4° |
| O28 | C27 | C31 | H271 | 117.5° | 118.9° |
| O28 | C27 | C26 | H262 | 79.7° | 170.4° |
| O28 | C27 | C26 | H261 | 40.2° | 50.3° |
| C27 | O28 | C29 | H291 | 137.9° | 78.3° |
| O28 | C27 | C31 | H311 | 120.1° | 94.7° |
| O28 | C29 | C30 | C31 | 22.4° | 24.0° |
| O28 | C29 | C30 | O37 | 145.7° | 94.8° |
| O28 | C29 | C30 | N39 | 122.5° | 118.9° |
| O28 | C29 | C30 | H291 | 116.9° | 118.9° |
| O28 | C29 | N39 | H291 | 120.4° | 122.3° |
| O28 | C29 | N39 | C40 | 112.7° | 156.4° |
| C29 | O28 | C27 | C31 | 18.8° | 40.5° |
| O28 | C29 | N39 | C48 | 65.2° | 23.5° |
| C29 | O28 | C27 | H271 | 138.9° | 78.3° |
| O28 | C29 | C30 | H301 | 92.0° | 142.6° |
| C31 | O32 | P33 | O34 | 31.9° | 55.1° |
| C31 | O32 | P33 | O35 | 151.8° | 65.0° |
| C31 | O32 | P33 | O36 | 89.7° | 175.0° |
| O32 | C31 | C30 | C27 | 122.0° | 118.6° |
| O32 | C31 | C30 | H311 | 119.1° | 122.7° |
| O32 | C31 | C30 | O37 | 103.4° | 122.6° |
| O32 | C31 | C30 | C29 | 132.2° | 118.6° |
| O32 | C31 | C27 | H311 | 120.2° | 122.7° |
| O32 | C31 | C27 | H271 | 2.2° | 23.7° |
| O32 | C31 | C30 | H301 | 18.3° | 0.0° |
| O32 | P33 | O34 | O35 | 120.0° | 120.0° |
| O32 | P33 | O34 | O36 | 122.1° | 119.9° |
| O32 | P33 | O35 | O36 | 119.5° | 120.0° |
| P33 | O32 | C31 | C30 | 45.7° | 123.9° |
| P33 | O32 | C31 | C27 | 74.4° | 121.4° |
| P33 | O32 | C31 | H311 | 164.3° | 1.2° |
| O32 | P33 | O35 | H1 | 122.2° | 60.0° |
| O32 | P33 | O36 | H2 | 123.5° | 180.0° |
| O34 | P33 | O35 | O36 | 118.2° | 120.0° |
| O34 | P33 | O35 | H1 | 0.0° | 180.0° |
| O34 | P33 | O36 | H2 | 0.0° | 60.1° |
| O35 | P33 | O36 | H2 | 117.9° | 60.0° |
| O36 | P33 | O35 | H1 | 118.2° | 60.0° |
| C31 | C30 | O37 | C29 | 119.6° | 114.7° |
| C31 | C30 | O37 | H301 | 120.1° | 122.6° |
| C31 | C30 | O37 | C38 | 101.9° | 153.8° |
| C31 | C30 | C29 | H301 | 114.4° | 118.6° |
| C31 | C30 | C29 | N39 | 100.1° | 142.9° |
| C30 | C31 | C27 | H311 | 117.1° | 118.6° |
| C30 | C31 | C27 | H271 | 120.5° | 94.9° |
| C31 | C30 | C29 | H291 | 139.3° | 94.9° |
| O37 | C30 | C29 | H301 | 122.3° | 122.6° |
| O37 | C30 | C29 | N39 | 23.2° | 24.1° |
| O37 | C30 | C31 | C27 | 134.6° | 118.7° |
| O37 | C30 | C29 | H291 | 97.4° | 146.3° |
| O37 | C30 | C31 | H311 | 15.7° | 0.1° |
| C30 | O37 | C38 | H382 | 180.0° | 60.0° |
| C30 | O37 | C38 | H383 | 60.0° | 59.9° |
| C30 | O37 | C38 | H381 | 60.0° | 180.0° |
| C38 | O37 | C30 | C29 | 138.5° | 91.4° |
| C38 | O37 | C30 | H301 | 18.2° | 31.2° |
| O37 | C38 | H382 | H383 | 120.0° | 120.0° |
| O37 | C38 | H382 | H381 | 120.0° | 120.0° |
| O37 | C38 | H383 | H381 | 120.0° | 120.1° |
| C30 | C29 | N39 | H291 | 119.7° | 122.3° |
| C30 | C29 | N39 | C40 | 127.4° | 88.1° |
| C29 | C30 | C31 | C27 | 10.2° | 0.0° |
| C30 | C29 | N39 | C48 | 54.7° | 91.9° |
| C29 | C30 | C31 | H311 | 108.7° | 118.7° |
| C29 | N39 | C40 | C48 | 178.3° | 180.0° |
| C29 | N39 | C40 | N41 | 1.6° | 0.2° |
| C29 | N39 | C48 | N47 | 178.7° | 180.0° |
| C29 | N39 | C40 | C46 | 178.8° | 180.0° |
| N39 | C29 | C30 | H301 | 145.6° | 98.5° |
| C29 | N39 | C48 | H481 | 1.3° | 0.0° |
| N39 | C40 | N41 | C46 | 179.6° | 179.7° |
| N39 | C40 | N41 | C42 | 179.5° | 180.0° |
| N39 | C40 | C46 | C44 | 179.6° | 180.0° |
| N39 | C40 | C46 | N47 | 0.4° | 0.0° |
| C40 | N39 | C48 | N47 | 0.5° | 0.0° |
| C40 | N39 | C29 | H291 | 7.7° | 34.1° |
| C40 | N39 | C48 | H481 | 179.5° | 180.0° |
| C40 | N41 | C42 | N43 | 0.1° | 0.0° |
| N41 | C40 | C46 | C44 | 0.1° | 0.2° |
| N41 | C40 | C46 | N47 | 180.0° | 179.8° |
| N41 | C40 | N39 | C48 | 179.8° | 179.7° |
| C40 | N41 | C42 | H421 | 179.9° | 180.0° |
| N41 | C42 | N43 | H421 | 180.0° | 179.9° |
| N41 | C42 | N43 | C44 | 0.2° | 0.3° |
| C42 | N41 | C40 | C46 | 0.0° | 0.3° |
| C42 | N43 | C44 | N45 | 179.9° | 180.0° |
| C42 | N43 | C44 | C46 | 0.2° | 0.3° |
| N43 | C44 | N45 | C46 | 179.9° | 179.7° |
| N43 | C44 | C46 | N47 | 179.9° | 179.9° |
| N43 | C44 | C46 | C40 | 0.1° | 0.1° |
| C44 | N43 | C42 | H421 | 179.8° | 179.6° |
| N43 | C44 | N45 | H452 | 0.0° | 0.0° |
| N43 | C44 | N45 | H451 | 120.0° | 180.0° |
| N45 | C44 | C46 | N47 | 0.0° | 0.2° |
| N45 | C44 | C46 | C40 | 179.9° | 179.7° |
| C44 | N45 | H452 | H451 | 120.0° | 180.0° |
| C44 | C46 | N47 | C40 | 180.0° | 180.0° |
| C44 | C46 | N47 | C48 | 179.9° | 180.0° |
| C46 | C44 | N45 | H452 | 179.9° | 179.6° |
| C46 | C44 | N45 | H451 | 60.1° | 0.3° |
| C46 | N47 | C48 | N39 | 0.3° | 0.0° |
| C46 | N47 | C48 | H481 | 179.7° | 180.0° |
| N47 | C48 | N39 | H481 | 180.0° | 180.0° |
| C48 | N47 | C46 | C40 | 0.1° | 0.0° |
| O25 | P24 | O49 | O50 | 122.9° | 120.0° |
| O25 | P24 | O23 | P22 | 38.0° | 160.0° |
| P24 | O25 | C26 | H262 | 92.7° | 60.0° |
| P24 | O25 | C26 | H261 | 27.2° | 60.1° |
| O25 | P24 | O49 | H3 | 122.9° | 59.9° |
| O49 | P24 | O23 | P22 | 80.7° | 80.0° |
| O50 | P24 | O23 | P22 | 158.2° | 40.0° |
| O50 | P24 | O49 | H3 | 0.0° | 180.0° |
| O23 | P22 | O51 | O52 | 120.2° | 120.1° |
| O23 | P22 | O21 | P20 | 56.3° | 160.0° |
| O23 | P22 | O52 | H4 | 119.9° | 60.0° |
| O51 | P22 | O21 | P20 | 175.9° | 40.0° |
| O51 | P22 | O52 | H4 | 0.0° | 180.0° |
| O52 | P22 | O21 | P20 | 63.2° | 80.0° |
| O21 | P20 | O53 | O54 | 119.4° | 119.9° |
| O21 | P20 | O54 | H5 | 120.6° | 60.0° |
| O53 | P20 | O54 | H5 | 0.0° | 180.0° |
| C18 | C17 | C55 | H171 | 118.0° | 122.3° |
| C18 | C17 | C55 | O56 | 0.0° | 24.1° |
| C18 | C17 | C55 | C14 | 120.9° | 142.8° |
| C17 | C18 | H181 | H182 | 118.9° | 119.9° |
| C18 | C17 | C55 | H551 | 122.4° | 98.6° |
| C17 | C55 | O56 | C14 | 118.3° | 114.6° |
| C17 | C55 | O56 | H551 | 120.9° | 122.7° |
| C17 | C55 | C14 | H551 | 116.8° | 118.7° |
| C17 | C55 | C14 | H141 | 124.9° | 118.6° |
| C55 | C17 | C18 | H181 | 67.8° | 58.1° |
| C55 | C17 | C18 | H182 | 172.9° | 61.8° |
| C17 | C55 | O56 | H561 | 180.0° | 176.1° |
| O56 | C55 | C14 | H551 | 122.4° | 122.8° |
| O56 | C55 | C14 | H141 | 4.1° | 0.0° |
| O56 | C55 | C17 | H171 | 118.1° | 146.5° |
| C02 | C08 | C07 | N12 | 179.7° | 179.8° |
| C08 | C02 | N03 | H031 | 179.9° | 179.8° |
| C07 | N12 | C13 | H131 | 50.6° | 37.2° |
| C07 | N12 | C11 | H111 | 179.4° | 179.8° |
| C14 | C55 | C17 | H171 | 121.1° | 94.9° |
| C55 | C14 | C13 | H131 | 121.0° | 94.9° |
| C55 | C14 | O15 | H151 | 63.1° | 65.3° |
| C14 | C55 | O56 | H561 | 61.7° | 61.5° |
| C31 | C27 | C26 | H262 | 161.5° | 55.0° |
| C31 | C27 | C26 | H261 | 78.7° | 65.1° |
| C27 | C31 | C30 | H301 | 103.7° | 118.7° |
| C48 | N39 | C40 | C46 | 0.6° | 0.0° |
| C48 | N39 | C29 | H291 | 174.4° | 145.8° |
| H141 | C14 | C13 | H131 | 118.1° | 146.3° |
| H141 | C14 | C55 | H551 | 118.3° | 122.7° |
| H141 | C14 | O15 | H151 | 56.2° | 57.4° |
| H181 | C18 | C17 | H171 | 50.4° | 64.3° |
| H182 | C18 | C17 | H171 | 68.9° | 175.8° |
| H171 | C17 | C55 | H551 | 4.3° | 23.8° |
| H102 | C10 | H103 | H101 | 120.0° | 120.1° |
| H262 | C26 | C27 | H271 | 38.0° | 67.3° |
| H261 | C26 | C27 | H271 | 157.9° | 172.7° |
| H271 | C27 | C31 | H311 | 122.4° | 146.4° |
| H291 | C29 | C30 | H301 | 24.9° | 23.7° |
| H301 | C30 | C31 | H311 | 137.4° | 122.7° |
| H382 | C38 | H383 | H381 | 120.0° | 120.0° |
| H551 | C55 | O56 | H561 | 59.1° | 61.2° |
