A1EIP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N28 | C27 | sing | 1.37Å | 1.24Å | |
| O38 | C37 | doub | 1.22Å | 1.18Å | |
| N29 | C27 | doub | 1.32Å | 1.45Å | |
| N29 | C30 | sing | 1.34Å | 1.42Å | |
| C27 | N26 | sing | 1.36Å | 1.47Å | |
| O31 | C30 | doub | 1.22Å | 1.38Å | |
| C37 | C36 | sing | 1.42Å | 1.46Å | |
| C37 | N39 | sing | 1.35Å | 1.45Å | |
| C30 | C24 | sing | 1.47Å | 1.53Å | |
| C36 | C35 | doub | 1.35Å | 1.45Å | |
| N26 | C25 | sing | 1.37Å | 1.48Å | |
| N39 | C40 | sing | 1.35Å | 1.53Å | |
| O14 | P12 | doub | 1.48Å | 1.51Å | |
| C24 | C25 | doub | 1.39Å | 1.39Å | Aromatic |
| C24 | N23 | sing | 1.35Å | 1.34Å | Aromatic |
| C35 | N34 | sing | 1.37Å | 1.45Å | |
| C25 | N21 | sing | 1.36Å | 1.35Å | Aromatic |
| O13 | P12 | sing | 1.61Å | 1.51Å | |
| C40 | N34 | sing | 1.35Å | 1.51Å | |
| C40 | O41 | doub | 1.22Å | 1.18Å | |
| N23 | C22 | doub | 1.30Å | 1.34Å | Aromatic |
| P12 | O11 | sing | 1.61Å | 1.68Å | |
| P12 | O15 | sing | 1.61Å | 1.70Å | |
| N34 | C33 | sing | 1.46Å | 1.46Å | |
| N21 | C22 | sing | 1.36Å | 1.32Å | Aromatic |
| N21 | C19 | sing | 1.46Å | 1.42Å | |
| O11 | C10 | sing | 1.43Å | 1.44Å | |
| O15 | C16 | sing | 1.42Å | 1.44Å | |
| O32 | C33 | sing | 1.43Å | 1.43Å | |
| O32 | C09 | sing | 1.43Å | 1.47Å | |
| C33 | C42 | sing | 1.54Å | 1.47Å | |
| C19 | C16 | sing | 1.54Å | 1.49Å | |
| C19 | O20 | sing | 1.43Å | 1.48Å | |
| C10 | C09 | sing | 1.53Å | 1.51Å | |
| C16 | C17 | sing | 1.55Å | 1.48Å | |
| C09 | C08 | sing | 1.54Å | 1.47Å | |
| C42 | C08 | sing | 1.54Å | 1.50Å | |
| C42 | O43 | sing | 1.43Å | 1.42Å | |
| O20 | C01 | sing | 1.43Å | 1.44Å | |
| C08 | O07 | sing | 1.43Å | 1.43Å | |
| O18 | C17 | sing | 1.43Å | 1.43Å | |
| C17 | C01 | sing | 1.55Å | 1.47Å | |
| C01 | C02 | sing | 1.53Å | 1.54Å | |
| O03 | P04 | sing | 1.61Å | 1.66Å | |
| O03 | C02 | sing | 1.43Å | 1.40Å | |
| O07 | P04 | sing | 1.61Å | 1.66Å | |
| O06 | P04 | doub | 1.48Å | 1.51Å | |
| P04 | O05 | sing | 1.61Å | 1.52Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C02 | H2 | sing | 1.09Å | 1.10Å | |
| C02 | H3 | sing | 1.09Å | 1.10Å | |
| C08 | H4 | sing | 1.09Å | 1.10Å | |
| C09 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.08Å | 1.10Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.08Å | 1.08Å | |
| C33 | H12 | sing | 1.09Å | 1.10Å | |
| C35 | H13 | sing | 1.08Å | 1.08Å | |
| C36 | H14 | sing | 1.08Å | 1.08Å | |
| C42 | H15 | sing | 1.09Å | 1.10Å | |
| N26 | H16 | sing | 0.97Å | 1.00Å | |
| N28 | H17 | sing | 0.97Å | 1.00Å | |
| N28 | H18 | sing | 0.97Å | 1.00Å | |
| N39 | H19 | sing | 0.97Å | 1.00Å | |
| O05 | H20 | sing | 0.97Å | 0.95Å | |
| O13 | H21 | sing | 0.97Å | 0.95Å | |
| O18 | H22 | sing | 0.97Å | 0.95Å | |
| O43 | H23 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N28 | C27 | N29 | 120.2° | 118.7° |
| N28 | C27 | N26 | 119.8° | 118.8° |
| C27 | N28 | H17 | 120.0° | 120.0° |
| C27 | N28 | H18 | 120.0° | 120.0° |
| O38 | C37 | C36 | 119.8° | 120.3° |
| O38 | C37 | N39 | 119.6° | 120.3° |
| C27 | N29 | C30 | 120.2° | 121.4° |
| N29 | C27 | N26 | 120.1° | 122.5° |
| N29 | C30 | O31 | 119.9° | 120.7° |
| N29 | C30 | C24 | 119.7° | 118.6° |
| C27 | N26 | C25 | 119.7° | 120.5° |
| C27 | N26 | H16 | 120.2° | 119.7° |
| O31 | C30 | C24 | 120.4° | 120.7° |
| C36 | C37 | N39 | 120.6° | 119.4° |
| C37 | C36 | C35 | 119.5° | 119.1° |
| C37 | C36 | H14 | 120.2° | 120.4° |
| C37 | N39 | C40 | 122.4° | 120.3° |
| C37 | N39 | H19 | 118.8° | 119.8° |
| C30 | C24 | C25 | 120.2° | 118.1° |
| C30 | C24 | N23 | 133.4° | 134.5° |
| C36 | C35 | N34 | 121.3° | 119.7° |
| C36 | C35 | H13 | 119.4° | 120.2° |
| C35 | C36 | H14 | 120.3° | 120.5° |
| N26 | C25 | C24 | 120.1° | 118.8° |
| N26 | C25 | N21 | 132.6° | 134.7° |
| C25 | N26 | H16 | 120.2° | 119.7° |
| N39 | C40 | N34 | 113.9° | 120.9° |
| N39 | C40 | O41 | 123.2° | 119.6° |
| C40 | N39 | H19 | 118.8° | 119.9° |
| O14 | P12 | O13 | 105.2° | 109.5° |
| O14 | P12 | O11 | 104.2° | 109.5° |
| O14 | P12 | O15 | 105.1° | 109.6° |
| C25 | C24 | N23 | 106.4° | 107.3° |
| C24 | C25 | N21 | 107.2° | 106.4° |
| C24 | N23 | C22 | 108.8° | 109.1° |
| C35 | N34 | C40 | 122.3° | 120.6° |
| C35 | N34 | C33 | 119.2° | 119.7° |
| N34 | C35 | H13 | 119.3° | 120.1° |
| C25 | N21 | C22 | 108.1° | 107.5° |
| C25 | N21 | C19 | 126.2° | 126.2° |
| O13 | P12 | O11 | 113.6° | 109.6° |
| O13 | P12 | O15 | 114.3° | 109.5° |
| P12 | O13 | H21 | 109.5° | 114.0° |
| N34 | C40 | O41 | 122.9° | 119.5° |
| C40 | N34 | C33 | 118.6° | 119.7° |
| N23 | C22 | N21 | 109.4° | 109.6° |
| N23 | C22 | H11 | 125.3° | 125.2° |
| O11 | P12 | O15 | 113.1° | 109.1° |
| P12 | O11 | C10 | 118.4° | 122.8° |
| P12 | O15 | C16 | 115.6° | 122.8° |
| N34 | C33 | O32 | 109.4° | 109.8° |
| N34 | C33 | C42 | 109.9° | 109.8° |
| N34 | C33 | H12 | 109.7° | 109.8° |
| C22 | N21 | C19 | 125.7° | 126.2° |
| N21 | C22 | H11 | 125.3° | 125.3° |
| N21 | C19 | C16 | 109.3° | 109.9° |
| N21 | C19 | O20 | 110.6° | 109.8° |
| N21 | C19 | H10 | 111.4° | 110.3° |
| O11 | C10 | C09 | 107.9° | 110.3° |
| O11 | C10 | H6 | 109.9° | 109.3° |
| O11 | C10 | H7 | 109.9° | 109.6° |
| O15 | C16 | C19 | 111.0° | 111.4° |
| O15 | C16 | C17 | 112.3° | 111.3° |
| O15 | C16 | H8 | 110.4° | 111.3° |
| C33 | O32 | C09 | 107.8° | 109.2° |
| O32 | C33 | C42 | 108.2° | 107.8° |
| O32 | C33 | H12 | 110.1° | 109.8° |
| O32 | C09 | C10 | 109.7° | 109.9° |
| O32 | C09 | C08 | 106.4° | 108.0° |
| O32 | C09 | H5 | 110.4° | 109.1° |
| C33 | C42 | C08 | 106.6° | 104.8° |
| C33 | C42 | O43 | 109.1° | 110.4° |
| C42 | C33 | H12 | 109.5° | 109.8° |
| C33 | C42 | H15 | 110.3° | 110.4° |
| C16 | C19 | O20 | 104.5° | 107.1° |
| C19 | C16 | C17 | 103.2° | 102.8° |
| C19 | C16 | H8 | 109.8° | 109.8° |
| C16 | C19 | H10 | 110.4° | 109.9° |
| C19 | O20 | C01 | 107.3° | 111.2° |
| O20 | C19 | H10 | 110.5° | 109.8° |
| C10 | C09 | C08 | 110.1° | 110.7° |
| C10 | C09 | H5 | 109.8° | 109.6° |
| C09 | C10 | H6 | 109.8° | 109.2° |
| C09 | C10 | H7 | 109.8° | 109.4° |
| C16 | C17 | O18 | 109.6° | 110.4° |
| C16 | C17 | C01 | 104.7° | 102.4° |
| C17 | C16 | H8 | 109.9° | 109.9° |
| C16 | C17 | H9 | 110.7° | 111.1° |
| C09 | C08 | C42 | 105.1° | 105.0° |
| C09 | C08 | O07 | 109.0° | 110.5° |
| C09 | C08 | H4 | 110.7° | 110.8° |
| C08 | C09 | H5 | 110.3° | 109.6° |
| C08 | C42 | O43 | 109.9° | 110.4° |
| C42 | C08 | O07 | 110.3° | 110.1° |
| C42 | C08 | H4 | 110.3° | 110.0° |
| C08 | C42 | H15 | 109.9° | 110.4° |
| O43 | C42 | H15 | 111.0° | 110.4° |
| C42 | O43 | H23 | 109.5° | 114.1° |
| O20 | C01 | C17 | 107.5° | 106.4° |
| O20 | C01 | C02 | 110.5° | 109.6° |
| O20 | C01 | H1 | 110.3° | 110.7° |
| C08 | O07 | P04 | 120.5° | 123.3° |
| O07 | C08 | H4 | 111.2° | 110.4° |
| O18 | C17 | C01 | 109.4° | 110.4° |
| O18 | C17 | H9 | 111.3° | 111.1° |
| C17 | O18 | H22 | 109.5° | 114.0° |
| C17 | C01 | C02 | 109.6° | 109.4° |
| C17 | C01 | H1 | 109.9° | 109.8° |
| C01 | C17 | H9 | 110.9° | 111.2° |
| C01 | C02 | O03 | 107.6° | 109.8° |
| C02 | C01 | H1 | 109.0° | 110.9° |
| C01 | C02 | H2 | 109.9° | 109.3° |
| C01 | C02 | H3 | 109.9° | 109.5° |
| P04 | O03 | C02 | 120.0° | 123.5° |
| O03 | P04 | O07 | 115.5° | 109.9° |
| O03 | P04 | O06 | 103.1° | 109.4° |
| O03 | P04 | O05 | 114.0° | 109.5° |
| O03 | C02 | H2 | 109.9° | 109.3° |
| O03 | C02 | H3 | 109.9° | 109.5° |
| O07 | P04 | O06 | 105.2° | 109.4° |
| O07 | P04 | O05 | 112.6° | 109.4° |
| O06 | P04 | O05 | 104.8° | 109.3° |
| P04 | O05 | H20 | 109.5° | 114.0° |
| H2 | C02 | H3 | 109.5° | 109.3° |
| H6 | C10 | H7 | 109.5° | 109.1° |
| H17 | N28 | H18 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N28 | C27 | N29 | N26 | 179.9° | 179.9° |
| N28 | C27 | N29 | C30 | 179.9° | 180.0° |
| N28 | C27 | N26 | C25 | 179.9° | 179.9° |
| N28 | C27 | N26 | H16 | 0.1° | 0.1° |
| C27 | N28 | H17 | H18 | 180.0° | 179.9° |
| O38 | C37 | C36 | N39 | 179.6° | 180.0° |
| O38 | C37 | C36 | C35 | 179.7° | 180.0° |
| O38 | C37 | N39 | C40 | 179.8° | 179.8° |
| O38 | C37 | C36 | H14 | 0.3° | 0.0° |
| O38 | C37 | N39 | H19 | 0.2° | 0.0° |
| C27 | N29 | C30 | O31 | 180.0° | 180.0° |
| C27 | N29 | C30 | C24 | 0.0° | 0.1° |
| N29 | C27 | N26 | C25 | 0.0° | 0.0° |
| N29 | C27 | N26 | H16 | 180.0° | 180.0° |
| N29 | C27 | N28 | H17 | 0.0° | 180.0° |
| N29 | C27 | N28 | H18 | 180.0° | 0.1° |
| C30 | N29 | C27 | N26 | 0.0° | 0.1° |
| N29 | C30 | O31 | C24 | 180.0° | 179.9° |
| N29 | C30 | C24 | C25 | 0.1° | 0.1° |
| N29 | C30 | C24 | N23 | 180.0° | 180.0° |
| C27 | N26 | C25 | H16 | 180.0° | 179.9° |
| C27 | N26 | C25 | C24 | 0.0° | 0.0° |
| C27 | N26 | C25 | N21 | 179.9° | 180.0° |
| N26 | C27 | N28 | H17 | 180.0° | 0.1° |
| N26 | C27 | N28 | H18 | 0.0° | 180.0° |
| O31 | C30 | C24 | C25 | 179.9° | 180.0° |
| O31 | C30 | C24 | N23 | 0.0° | 0.0° |
| C37 | C36 | C35 | H14 | 180.0° | 180.0° |
| C36 | C37 | N39 | C40 | 0.2° | 0.2° |
| C37 | C36 | C35 | N34 | 0.1° | 0.0° |
| C37 | C36 | C35 | H13 | 179.9° | 179.7° |
| C36 | C37 | N39 | H19 | 179.8° | 180.0° |
| N39 | C37 | C36 | C35 | 0.1° | 0.0° |
| C37 | N39 | C40 | H19 | 180.0° | 179.8° |
| C37 | N39 | C40 | N34 | 0.1° | 0.4° |
| C37 | N39 | C40 | O41 | 179.8° | 180.0° |
| N39 | C37 | C36 | H14 | 179.9° | 180.0° |
| C30 | C24 | C25 | N26 | 0.0° | 0.0° |
| C30 | C24 | C25 | N23 | 180.0° | 180.0° |
| C30 | C24 | C25 | N21 | 179.9° | 180.0° |
| C30 | C24 | N23 | C22 | 180.0° | 179.8° |
| C36 | C35 | N34 | H13 | 180.0° | 179.8° |
| C36 | C35 | N34 | C40 | 0.3° | 0.2° |
| C36 | C35 | N34 | C33 | 179.5° | 179.8° |
| N26 | C25 | C24 | N21 | 180.0° | 180.0° |
| N26 | C25 | C24 | N23 | 180.0° | 180.0° |
| N26 | C25 | N21 | C22 | 179.9° | 179.9° |
| N26 | C25 | N21 | C19 | 0.2° | 0.1° |
| N39 | C40 | N34 | C35 | 0.2° | 0.4° |
| N39 | C40 | N34 | O41 | 179.9° | 179.5° |
| N39 | C40 | N34 | C33 | 179.7° | 179.5° |
| O14 | P12 | O13 | O11 | 113.4° | 120.1° |
| O14 | P12 | O13 | O15 | 114.8° | 120.2° |
| O14 | P12 | O11 | O15 | 113.6° | 119.9° |
| O14 | P12 | O11 | C10 | 161.9° | 138.0° |
| O14 | P12 | O15 | C16 | 96.3° | 117.9° |
| O14 | P12 | O13 | H21 | 0.0° | 60.0° |
| C25 | C24 | N23 | C22 | 0.1° | 0.1° |
| C24 | C25 | N21 | C22 | 0.1° | 0.1° |
| C24 | C25 | N21 | C19 | 179.8° | 179.9° |
| C24 | C25 | N26 | H16 | 180.0° | 180.0° |
| N23 | C24 | C25 | N21 | 0.0° | 0.0° |
| C24 | N23 | C22 | N21 | 0.1° | 0.2° |
| C24 | N23 | C22 | H11 | 179.8° | 180.0° |
| C35 | N34 | C40 | C33 | 179.8° | 180.0° |
| C35 | N34 | C40 | O41 | 180.0° | 180.0° |
| C35 | N34 | C33 | O32 | 30.4° | 126.6° |
| C35 | N34 | C33 | C42 | 88.3° | 115.0° |
| C35 | N34 | C33 | H12 | 151.2° | 5.8° |
| N34 | C35 | C36 | H14 | 179.9° | 180.0° |
| C25 | N21 | C22 | N23 | 0.2° | 0.2° |
| C25 | N21 | C22 | C19 | 179.7° | 180.0° |
| C25 | N21 | C19 | C16 | 113.9° | 85.0° |
| C25 | N21 | C19 | O20 | 131.7° | 157.4° |
| C25 | N21 | C19 | H10 | 8.3° | 36.3° |
| C25 | N21 | C22 | H11 | 179.8° | 180.0° |
| N21 | C25 | N26 | H16 | 0.1° | 0.0° |
| O13 | P12 | O11 | O15 | 132.4° | 119.9° |
| O13 | P12 | O11 | C10 | 47.9° | 17.8° |
| O13 | P12 | O15 | C16 | 148.8° | 121.9° |
| C40 | N34 | C33 | O32 | 149.4° | 53.3° |
| C40 | N34 | C33 | C42 | 91.9° | 65.0° |
| C40 | N34 | C33 | H12 | 28.6° | 174.2° |
| C40 | N34 | C35 | H13 | 179.7° | 180.0° |
| N34 | C40 | N39 | H19 | 179.9° | 179.8° |
| O41 | C40 | N34 | C33 | 0.2° | 0.0° |
| O41 | C40 | N39 | H19 | 0.2° | 0.2° |
| N23 | C22 | N21 | H11 | 180.0° | 179.8° |
| N23 | C22 | N21 | C19 | 179.9° | 179.8° |
| O11 | P12 | O15 | C16 | 16.7° | 2.0° |
| P12 | O11 | C10 | C09 | 175.0° | 179.7° |
| P12 | O11 | C10 | H6 | 55.3° | 60.3° |
| P12 | O11 | C10 | H7 | 65.2° | 59.2° |
| O11 | P12 | O13 | H21 | 113.3° | 60.1° |
| O15 | P12 | O11 | C10 | 84.5° | 102.1° |
| P12 | O15 | C16 | C19 | 107.5° | 142.7° |
| P12 | O15 | C16 | C17 | 137.6° | 103.3° |
| P12 | O15 | C16 | H8 | 14.5° | 19.7° |
| O15 | P12 | O13 | H21 | 114.8° | 179.8° |
| N34 | C33 | O32 | C42 | 119.8° | 119.6° |
| N34 | C33 | O32 | H12 | 120.6° | 120.9° |
| N34 | C33 | O32 | C09 | 129.7° | 143.3° |
| N34 | C33 | C42 | H12 | 120.6° | 120.9° |
| N34 | C33 | C42 | C08 | 114.0° | 135.2° |
| N34 | C33 | C42 | O43 | 127.4° | 105.9° |
| C33 | N34 | C35 | H13 | 0.5° | 0.0° |
| N34 | C33 | C42 | H15 | 5.3° | 16.4° |
| C22 | N21 | C19 | C16 | 65.7° | 95.0° |
| C22 | N21 | C19 | O20 | 48.7° | 22.5° |
| C22 | N21 | C19 | H10 | 172.0° | 143.7° |
| N21 | C19 | C16 | O15 | 87.3° | 97.1° |
| N21 | C19 | C16 | O20 | 118.3° | 119.2° |
| N21 | C19 | C16 | H10 | 122.9° | 121.6° |
| N21 | C19 | O20 | H10 | 123.8° | 121.5° |
| N21 | C19 | C16 | C17 | 152.1° | 143.7° |
| N21 | C19 | O20 | C01 | 137.6° | 126.5° |
| N21 | C19 | C16 | H8 | 35.1° | 26.7° |
| C19 | N21 | C22 | H11 | 0.1° | 0.0° |
| O11 | C10 | C09 | O32 | 65.0° | 76.3° |
| O11 | C10 | C09 | H6 | 119.8° | 120.1° |
| O11 | C10 | C09 | H7 | 119.7° | 120.6° |
| O11 | C10 | C09 | C08 | 51.8° | 42.9° |
| O11 | C10 | C09 | H5 | 173.5° | 163.9° |
| O11 | C10 | H6 | H7 | 120.7° | 119.8° |
| O15 | C16 | C19 | C17 | 120.6° | 119.2° |
| O15 | C16 | C19 | H8 | 122.4° | 123.8° |
| O15 | C16 | C19 | O20 | 154.4° | 143.7° |
| O15 | C16 | C17 | H8 | 123.3° | 123.8° |
| O15 | C16 | C17 | O18 | 37.3° | 32.8° |
| O15 | C16 | C17 | C01 | 154.6° | 150.4° |
| O15 | C16 | C17 | H9 | 85.9° | 90.9° |
| O15 | C16 | C19 | H10 | 35.5° | 24.5° |
| O32 | C33 | C42 | H12 | 120.0° | 119.5° |
| C33 | O32 | C09 | C10 | 140.9° | 142.9° |
| C33 | O32 | C09 | C08 | 21.7° | 22.0° |
| O32 | C33 | C42 | C08 | 5.5° | 15.6° |
| O32 | C33 | C42 | O43 | 113.2° | 134.4° |
| C33 | O32 | C09 | H5 | 98.0° | 97.1° |
| O32 | C33 | C42 | H15 | 124.8° | 103.3° |
| C09 | O32 | C33 | C42 | 9.9° | 23.7° |
| O32 | C09 | C10 | C08 | 116.8° | 119.2° |
| O32 | C09 | C10 | H5 | 121.5° | 119.8° |
| O32 | C09 | C08 | H5 | 119.7° | 118.7° |
| O32 | C09 | C08 | C42 | 24.5° | 11.3° |
| O32 | C09 | C08 | O07 | 142.8° | 129.9° |
| O32 | C09 | C08 | H4 | 94.6° | 107.4° |
| O32 | C09 | C10 | H6 | 175.2° | 43.8° |
| O32 | C09 | C10 | H7 | 54.7° | 163.1° |
| C09 | O32 | C33 | H12 | 109.7° | 95.8° |
| C33 | C42 | C08 | C09 | 18.5° | 2.6° |
| C33 | C42 | C08 | O43 | 118.1° | 118.8° |
| C33 | C42 | C08 | H15 | 119.5° | 118.8° |
| C33 | C42 | O43 | H15 | 121.7° | 122.3° |
| C33 | C42 | C08 | O07 | 135.9° | 116.3° |
| C33 | C42 | C08 | H4 | 100.8° | 121.8° |
| C33 | C42 | O43 | H23 | 179.9° | 61.5° |
| C16 | C19 | O20 | H10 | 118.8° | 119.3° |
| C19 | C16 | C17 | H8 | 117.0° | 116.9° |
| C16 | C19 | O20 | C01 | 20.2° | 7.2° |
| C19 | C16 | C17 | O18 | 82.3° | 86.5° |
| C19 | C16 | C17 | C01 | 34.9° | 31.0° |
| C19 | C16 | C17 | H9 | 154.5° | 149.7° |
| O20 | C19 | C16 | C17 | 33.8° | 24.4° |
| C19 | O20 | C01 | C17 | 1.6° | 13.3° |
| C19 | O20 | C01 | C02 | 118.0° | 104.8° |
| C19 | O20 | C01 | H1 | 121.5° | 132.5° |
| O20 | C19 | C16 | H8 | 83.3° | 92.5° |
| C10 | C09 | C08 | H5 | 121.4° | 121.0° |
| C10 | C09 | C08 | C42 | 143.4° | 131.6° |
| C10 | C09 | C08 | O07 | 98.3° | 109.8° |
| C10 | C09 | C08 | H4 | 24.3° | 12.9° |
| C09 | C10 | H6 | H7 | 120.7° | 119.5° |
| C16 | C17 | C01 | O20 | 23.0° | 27.9° |
| C16 | C17 | O18 | C01 | 114.3° | 112.5° |
| C16 | C17 | O18 | H9 | 122.8° | 123.7° |
| C16 | C17 | C01 | H9 | 119.4° | 118.6° |
| C16 | C17 | C01 | C02 | 97.2° | 90.4° |
| C16 | C17 | C01 | H1 | 143.0° | 147.7° |
| C17 | C16 | C19 | H10 | 85.0° | 94.8° |
| C16 | C17 | O18 | H22 | 180.0° | 180.0° |
| C09 | C08 | C42 | O07 | 117.4° | 118.9° |
| C09 | C08 | C42 | H4 | 119.3° | 119.3° |
| C09 | C08 | C42 | O43 | 99.5° | 121.4° |
| C09 | C08 | O07 | H4 | 122.3° | 122.9° |
| C09 | C08 | O07 | P04 | 157.1° | 90.7° |
| C08 | C09 | C10 | H6 | 68.0° | 163.0° |
| C08 | C09 | C10 | H7 | 171.5° | 77.7° |
| C09 | C08 | C42 | H15 | 138.0° | 116.3° |
| C08 | C42 | O43 | H15 | 121.8° | 122.4° |
| C42 | C08 | O07 | H4 | 122.7° | 121.6° |
| C42 | C08 | O07 | P04 | 88.0° | 153.8° |
| C42 | C08 | C09 | H5 | 95.2° | 107.4° |
| C08 | C42 | C33 | H12 | 125.5° | 103.9° |
| C08 | C42 | O43 | H23 | 63.6° | 176.8° |
| O43 | C42 | C08 | O07 | 17.9° | 2.5° |
| O43 | C42 | C08 | H4 | 141.1° | 119.4° |
| O43 | C42 | C33 | H12 | 6.8° | 14.9° |
| O20 | C01 | C17 | O18 | 94.5° | 89.7° |
| O20 | C01 | C17 | C02 | 120.1° | 118.3° |
| O20 | C01 | C17 | H1 | 120.1° | 119.8° |
| O20 | C01 | C02 | H1 | 121.3° | 122.6° |
| O20 | C01 | C02 | O03 | 41.1° | 93.5° |
| O20 | C01 | C02 | H2 | 78.6° | 26.4° |
| O20 | C01 | C02 | H3 | 160.9° | 146.2° |
| O20 | C01 | C17 | H9 | 142.4° | 146.5° |
| C01 | O20 | C19 | H10 | 98.6° | 112.0° |
| C08 | O07 | P04 | O03 | 52.0° | 39.3° |
| C08 | O07 | P04 | O06 | 60.9° | 159.5° |
| C08 | O07 | P04 | O05 | 174.5° | 80.9° |
| O07 | C08 | C09 | H5 | 23.1° | 11.2° |
| O07 | C08 | C42 | H15 | 104.6° | 124.8° |
| O18 | C17 | C01 | H9 | 123.2° | 123.8° |
| O18 | C17 | C01 | C02 | 145.4° | 152.0° |
| O18 | C17 | C01 | H1 | 25.6° | 30.1° |
| O18 | C17 | C16 | H8 | 160.7° | 156.6° |
| C17 | C01 | C02 | H1 | 120.4° | 121.2° |
| C17 | C01 | C02 | O03 | 77.2° | 22.8° |
| C17 | C01 | C02 | H2 | 163.1° | 142.7° |
| C17 | C01 | C02 | H3 | 42.5° | 97.6° |
| C01 | C17 | C16 | H8 | 82.1° | 85.9° |
| C01 | C17 | O18 | H22 | 65.8° | 67.5° |
| C01 | C02 | O03 | P04 | 156.2° | 129.5° |
| C01 | C02 | O03 | H2 | 119.7° | 119.9° |
| C01 | C02 | O03 | H3 | 119.7° | 120.3° |
| C01 | C02 | H2 | H3 | 120.8° | 119.9° |
| C02 | C01 | C17 | H9 | 22.3° | 28.2° |
| O03 | P04 | O07 | O06 | 112.9° | 120.1° |
| O03 | P04 | O07 | O05 | 133.5° | 120.2° |
| O03 | P04 | O06 | O05 | 119.6° | 119.9° |
| P04 | O03 | C02 | H2 | 84.1° | 110.5° |
| P04 | O03 | C02 | H3 | 36.4° | 9.2° |
| O03 | P04 | O05 | H20 | 111.9° | 60.0° |
| C02 | O03 | P04 | O07 | 110.3° | 164.9° |
| C02 | O03 | P04 | O06 | 135.6° | 44.8° |
| C02 | O03 | P04 | O05 | 22.5° | 75.0° |
| O03 | C02 | C01 | H1 | 162.4° | 143.9° |
| O03 | C02 | H2 | H3 | 120.9° | 119.9° |
| O07 | P04 | O06 | O05 | 119.0° | 119.7° |
| P04 | O07 | C08 | H4 | 34.8° | 32.2° |
| O07 | P04 | O05 | H20 | 113.9° | 179.5° |
| O06 | P04 | O05 | H20 | 0.0° | 59.8° |
| H1 | C01 | C02 | H2 | 42.7° | 96.2° |
| H1 | C01 | C02 | H3 | 77.8° | 23.6° |
| H1 | C01 | C17 | H9 | 97.6° | 93.6° |
| H4 | C08 | C09 | H5 | 145.7° | 133.9° |
| H4 | C08 | C42 | H15 | 18.7° | 3.0° |
| H5 | C09 | C10 | H6 | 53.7° | 76.0° |
| H5 | C09 | C10 | H7 | 66.8° | 43.3° |
| H8 | C16 | C17 | H9 | 37.5° | 32.8° |
| H8 | C16 | C19 | H10 | 157.9° | 148.3° |
| H9 | C17 | O18 | H22 | 57.1° | 56.3° |
| H12 | C33 | C42 | H15 | 115.2° | 137.2° |
| H13 | C35 | C36 | H14 | 0.1° | 0.3° |
| H15 | C42 | O43 | H23 | 58.3° | 60.8° |
