A1CEC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O13' | C25' | doub | 1.22Å | 1.22Å | |
| C20' | C19' | sing | 1.53Å | 1.53Å | |
| N1' | C19' | sing | 1.47Å | 1.46Å | |
| N1' | C23' | sing | 1.36Å | 1.35Å | |
| C19' | C21' | sing | 1.55Å | 1.50Å | |
| C25' | N2' | sing | 1.35Å | 1.35Å | |
| C25' | C24' | sing | 1.47Å | 1.52Å | |
| N2' | C26' | sing | 1.38Å | 1.40Å | |
| C23' | C24' | doub | 1.38Å | 1.38Å | |
| C23' | C22' | sing | 1.51Å | 1.41Å | |
| C24' | C29' | sing | 1.48Å | 1.49Å | |
| C21' | C22' | sing | 1.54Å | 1.52Å | |
| C26' | C29' | doub | 1.34Å | 1.46Å | |
| C26' | C27' | sing | 1.51Å | 1.54Å | |
| C29' | C30' | sing | 1.51Å | 1.56Å | |
| O14' | C31' | doub | 1.21Å | 1.23Å | |
| C27 | C26 | sing | 1.51Å | 1.52Å | |
| N2 | C26 | sing | 1.38Å | 1.31Å | |
| N2 | C25 | sing | 1.35Å | 1.32Å | |
| C30' | C31' | sing | 1.51Å | 1.53Å | |
| C31' | N3' | sing | 1.35Å | 1.35Å | |
| C26 | C29 | doub | 1.33Å | 1.36Å | |
| O13 | C25 | doub | 1.22Å | 1.23Å | |
| C25 | C24 | sing | 1.47Å | 1.35Å | |
| N3' | C42 | sing | 1.46Å | 1.48Å | |
| C42 | C41 | sing | 1.51Å | 1.53Å | |
| C29 | C24 | sing | 1.48Å | 1.36Å | |
| C29 | C30 | sing | 1.51Å | 1.55Å | |
| C24 | C23 | doub | 1.38Å | 1.34Å | |
| N37 | C37 | doub | 1.30Å | 1.34Å | |
| C41 | O16 | doub | 1.21Å | 1.23Å | |
| C41 | C40 | sing | 1.47Å | 1.34Å | |
| C30 | C31 | sing | 1.51Å | 1.54Å | |
| N3 | C32 | sing | 1.47Å | 1.47Å | |
| N3 | C31 | sing | 1.35Å | 1.33Å | |
| N4' | C40 | sing | 1.32Å | 1.40Å | Aromatic |
| N4' | C38 | doub | 1.30Å | 1.31Å | Aromatic |
| C32 | C33 | sing | 1.51Å | 1.54Å | |
| C31 | O14 | doub | 1.21Å | 1.23Å | |
| C23 | N1 | sing | 1.36Å | 1.34Å | |
| C23 | C22 | sing | 1.51Å | 1.42Å | |
| C40 | C39 | doub | 1.37Å | 1.33Å | Aromatic |
| N1 | C19 | sing | 1.47Å | 1.46Å | |
| N4 | C33 | doub | 1.29Å | 1.32Å | Aromatic |
| N4 | C35 | sing | 1.33Å | 1.40Å | Aromatic |
| C37 | C38 | sing | 1.48Å | 1.36Å | |
| C37 | C36 | sing | 1.49Å | 1.57Å | |
| C38 | S12 | sing | 1.76Å | 1.73Å | Aromatic |
| C33 | S11 | sing | 1.76Å | 1.72Å | Aromatic |
| C39 | S12 | sing | 1.71Å | 1.71Å | Aromatic |
| C35 | C36 | sing | 1.47Å | 1.35Å | |
| C35 | C34 | doub | 1.37Å | 1.34Å | Aromatic |
| C36 | O15 | doub | 1.22Å | 1.23Å | |
| C22 | C21 | sing | 1.54Å | 1.52Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C19 | C21 | sing | 1.55Å | 1.50Å | |
| S11 | C34 | sing | 1.71Å | 1.71Å | Aromatic |
| N1 | H11 | sing | 0.97Å | 1.00Å | |
| N3 | H13 | sing | 0.97Å | 1.00Å | |
| C27' | H27D | sing | 1.09Å | 1.10Å | |
| C27' | H27E | sing | 1.09Å | 1.10Å | |
| C27' | H1 | sing | 1.09Å | 1.10Å | |
| N2' | H12' | sing | 0.97Å | 1.00Å | |
| C22' | H22E | sing | 1.09Å | 1.10Å | |
| C22' | H22D | sing | 1.09Å | 1.10Å | |
| C21' | H21D | sing | 1.09Å | 1.10Å | |
| C21' | H21E | sing | 1.09Å | 1.10Å | |
| C19' | H19D | sing | 1.09Å | 1.10Å | |
| C20' | H20F | sing | 1.09Å | 1.10Å | |
| C20' | H20E | sing | 1.09Å | 1.10Å | |
| C20' | H20D | sing | 1.09Å | 1.10Å | |
| N1' | H11' | sing | 0.97Å | 1.00Å | |
| C30' | H30D | sing | 1.09Å | 1.10Å | |
| C30' | H30E | sing | 1.09Å | 1.10Å | |
| N3' | H13' | sing | 0.97Å | 1.00Å | |
| C42 | H42A | sing | 1.09Å | 1.10Å | |
| C42 | H42B | sing | 1.09Å | 1.10Å | |
| C39 | H39 | sing | 1.08Å | 1.08Å | |
| N37 | H15 | sing | 0.97Å | 1.00Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C27 | H27B | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C27 | H4 | sing | 1.09Å | 1.10Å | |
| N2 | H12 | sing | 0.97Å | 1.00Å | |
| C22 | H22B | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C21 | H21B | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C20 | H20C | sing | 1.09Å | 1.10Å | |
| C20 | H20B | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| C30 | H30B | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C32 | H32B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O13' | C25' | N2' | 123.0° | 126.7° |
| O13' | C25' | C24' | 128.8° | 126.7° |
| C20' | C19' | N1' | 112.7° | 110.8° |
| C20' | C19' | C21' | 110.6° | 110.4° |
| C20' | C19' | H19D | 110.0° | 110.4° |
| C19' | C20' | H20F | 109.5° | 109.5° |
| C19' | C20' | H20E | 109.4° | 109.5° |
| C19' | C20' | H20D | 109.4° | 109.5° |
| C19' | N1' | C23' | 114.5° | 109.3° |
| N1' | C19' | C21' | 101.7° | 104.3° |
| N1' | C19' | H19D | 111.1° | 110.3° |
| C19' | N1' | H11' | 108.2° | 125.3° |
| N1' | C23' | C24' | 126.4° | 125.2° |
| N1' | C23' | C22' | 106.3° | 109.7° |
| C23' | N1' | H11' | 108.2° | 125.4° |
| C19' | C21' | C22' | 102.4° | 102.5° |
| C19' | C21' | H21D | 111.2° | 110.8° |
| C19' | C21' | H21E | 111.2° | 111.0° |
| C21' | C19' | H19D | 110.5° | 110.4° |
| N2' | C25' | C24' | 108.2° | 106.7° |
| C25' | N2' | C26' | 111.4° | 110.8° |
| C25' | N2' | H12' | 124.3° | 124.6° |
| C25' | C24' | C23' | 122.1° | 127.6° |
| C25' | C24' | C29' | 105.2° | 104.8° |
| N2' | C26' | C29' | 109.8° | 111.0° |
| N2' | C26' | C27' | 123.6° | 124.5° |
| C26' | N2' | H12' | 124.4° | 124.6° |
| C24' | C23' | C22' | 127.1° | 125.1° |
| C23' | C24' | C29' | 132.7° | 127.6° |
| C23' | C22' | C21' | 107.5° | 105.2° |
| C23' | C22' | H22E | 110.0° | 110.3° |
| C23' | C22' | H22D | 110.0° | 110.3° |
| C24' | C29' | C26' | 105.4° | 106.8° |
| C24' | C29' | C30' | 133.3° | 126.6° |
| C21' | C22' | H22E | 110.0° | 110.3° |
| C21' | C22' | H22D | 110.0° | 110.4° |
| C22' | C21' | H21D | 111.2° | 110.8° |
| C22' | C21' | H21E | 111.2° | 110.8° |
| C29' | C26' | C27' | 126.5° | 124.5° |
| C26' | C29' | C30' | 121.2° | 126.6° |
| C26' | C27' | H27D | 109.5° | 109.5° |
| C26' | C27' | H27E | 109.4° | 109.5° |
| C26' | C27' | H1 | 109.5° | 109.5° |
| C29' | C30' | C31' | 113.9° | 109.5° |
| C29' | C30' | H30D | 108.4° | 109.5° |
| C29' | C30' | H30E | 108.4° | 109.4° |
| O14' | C31' | C30' | 121.1° | 120.0° |
| O14' | C31' | N3' | 125.2° | 120.0° |
| C27 | C26 | N2 | 125.6° | 124.5° |
| C27 | C26 | C29 | 125.9° | 124.5° |
| C26 | C27 | H27B | 109.5° | 109.5° |
| C26 | C27 | H27A | 109.5° | 109.5° |
| C26 | C27 | H4 | 109.5° | 109.5° |
| C26 | N2 | C25 | 109.2° | 110.8° |
| N2 | C26 | C29 | 108.5° | 111.0° |
| C26 | N2 | H12 | 125.4° | 124.6° |
| N2 | C25 | O13 | 122.8° | 126.7° |
| N2 | C25 | C24 | 108.5° | 106.6° |
| C25 | N2 | H12 | 125.4° | 124.5° |
| C30' | C31' | N3' | 111.5° | 120.0° |
| C31' | C30' | H30D | 108.4° | 109.5° |
| C31' | C30' | H30E | 108.3° | 109.5° |
| C31' | N3' | C42 | 123.0° | 120.0° |
| C31' | N3' | H13' | 118.5° | 119.9° |
| C26 | C29 | C24 | 106.9° | 106.8° |
| C26 | C29 | C30 | 118.6° | 126.6° |
| O13 | C25 | C24 | 128.7° | 126.7° |
| C25 | C24 | C29 | 106.8° | 104.8° |
| C25 | C24 | C23 | 121.3° | 127.6° |
| N3' | C42 | C41 | 109.6° | 109.5° |
| C42 | N3' | H13' | 118.5° | 120.0° |
| N3' | C42 | H42A | 109.5° | 109.5° |
| N3' | C42 | H42B | 109.4° | 109.4° |
| C42 | C41 | O16 | 119.5° | 120.0° |
| C42 | C41 | C40 | 121.0° | 120.0° |
| C41 | C42 | H42A | 109.5° | 109.5° |
| C41 | C42 | H42B | 109.4° | 109.5° |
| C24 | C29 | C30 | 134.5° | 126.6° |
| C29 | C24 | C23 | 131.9° | 127.6° |
| C29 | C30 | C31 | 110.2° | 109.5° |
| C29 | C30 | H30A | 109.3° | 109.5° |
| C29 | C30 | H30B | 109.3° | 109.5° |
| C24 | C23 | N1 | 126.3° | 125.2° |
| C24 | C23 | C22 | 126.9° | 125.2° |
| N37 | C37 | C38 | 117.1° | 119.9° |
| N37 | C37 | C36 | 121.1° | 120.0° |
| C37 | N37 | H15 | 112.0° | 120.0° |
| O16 | C41 | C40 | 119.5° | 120.0° |
| C41 | C40 | N4' | 120.4° | 122.6° |
| C41 | C40 | C39 | 123.7° | 122.6° |
| C30 | C31 | N3 | 115.1° | 120.1° |
| C30 | C31 | O14 | 121.0° | 120.0° |
| C31 | C30 | H30A | 109.3° | 109.4° |
| C31 | C30 | H30B | 109.3° | 109.4° |
| C32 | N3 | C31 | 122.8° | 120.0° |
| N3 | C32 | C33 | 109.9° | 109.5° |
| C32 | N3 | H13 | 118.6° | 120.0° |
| N3 | C32 | H32A | 109.4° | 109.5° |
| N3 | C32 | H32B | 109.4° | 109.5° |
| N3 | C31 | O14 | 123.9° | 120.0° |
| C31 | N3 | H13 | 118.6° | 119.9° |
| C40 | N4' | C38 | 110.2° | 116.0° |
| N4' | C40 | C39 | 115.9° | 114.8° |
| N4' | C38 | C37 | 123.4° | 125.2° |
| N4' | C38 | S12 | 113.7° | 109.7° |
| C32 | C33 | N4 | 125.1° | 125.1° |
| C32 | C33 | S11 | 119.7° | 125.1° |
| C33 | C32 | H32A | 109.4° | 109.5° |
| C33 | C32 | H32B | 109.4° | 109.5° |
| N1 | C23 | C22 | 106.3° | 109.7° |
| C23 | N1 | C19 | 114.1° | 109.4° |
| C23 | N1 | H11 | 108.3° | 125.3° |
| C23 | C22 | C21 | 108.4° | 105.2° |
| C23 | C22 | H22B | 109.7° | 110.3° |
| C23 | C22 | H22A | 109.7° | 110.3° |
| C40 | C39 | S12 | 110.3° | 108.9° |
| C40 | C39 | H39 | 124.8° | 125.6° |
| N1 | C19 | C20 | 112.7° | 110.5° |
| N1 | C19 | C21 | 101.3° | 104.4° |
| C19 | N1 | H11 | 108.3° | 125.3° |
| N1 | C19 | H19A | 111.2° | 110.4° |
| C33 | N4 | C35 | 109.2° | 116.0° |
| N4 | C33 | S11 | 115.1° | 109.8° |
| N4 | C35 | C36 | 122.3° | 122.7° |
| N4 | C35 | C34 | 115.5° | 114.6° |
| C38 | C37 | C36 | 121.8° | 120.0° |
| C37 | C38 | S12 | 122.9° | 125.1° |
| C37 | C36 | C35 | 123.9° | 120.0° |
| C37 | C36 | O15 | 119.8° | 120.0° |
| C38 | S12 | C39 | 89.9° | 90.7° |
| C33 | S11 | C34 | 89.3° | 90.7° |
| S12 | C39 | H39 | 124.9° | 125.6° |
| C36 | C35 | C34 | 122.1° | 122.7° |
| C35 | C36 | O15 | 116.3° | 120.0° |
| C35 | C34 | S11 | 110.9° | 108.9° |
| C35 | C34 | H34 | 124.6° | 125.6° |
| C22 | C21 | C19 | 102.8° | 102.5° |
| C21 | C22 | H22B | 109.7° | 110.3° |
| C21 | C22 | H22A | 109.8° | 110.3° |
| C22 | C21 | H21B | 111.1° | 110.8° |
| C22 | C21 | H21A | 111.1° | 110.8° |
| C20 | C19 | C21 | 110.6° | 110.7° |
| C20 | C19 | H19A | 110.1° | 110.4° |
| C19 | C20 | H20C | 109.5° | 109.5° |
| C19 | C20 | H20B | 109.5° | 109.5° |
| C19 | C20 | H20A | 109.5° | 109.5° |
| C19 | C21 | H21B | 111.1° | 110.7° |
| C19 | C21 | H21A | 111.1° | 110.9° |
| C21 | C19 | H19A | 110.6° | 110.3° |
| S11 | C34 | H34 | 124.5° | 125.5° |
| H27D | C27' | H27E | 109.5° | 109.5° |
| H27D | C27' | H1 | 109.5° | 109.5° |
| H27E | C27' | H1 | 109.5° | 109.5° |
| H22E | C22' | H22D | 109.5° | 110.3° |
| H21D | C21' | H21E | 109.5° | 110.8° |
| H20F | C20' | H20E | 109.5° | 109.5° |
| H20F | C20' | H20D | 109.5° | 109.4° |
| H20E | C20' | H20D | 109.5° | 109.5° |
| H30D | C30' | H30E | 109.4° | 109.5° |
| H42A | C42 | H42B | 109.5° | 109.4° |
| H27B | C27 | H27A | 109.5° | 109.5° |
| H27B | C27 | H4 | 109.4° | 109.4° |
| H27A | C27 | H4 | 109.5° | 109.5° |
| H22B | C22 | H22A | 109.5° | 110.4° |
| H21B | C21 | H21A | 109.5° | 110.8° |
| H20C | C20 | H20B | 109.5° | 109.5° |
| H20C | C20 | H20A | 109.4° | 109.5° |
| H20B | C20 | H20A | 109.5° | 109.4° |
| H30A | C30 | H30B | 109.5° | 109.4° |
| H32A | C32 | H32B | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O13' | C25' | N2' | C24' | 180.0° | 180.0° |
| O13' | C25' | N2' | C26' | 179.6° | 180.0° |
| O13' | C25' | C24' | C23' | 0.2° | 0.0° |
| O13' | C25' | C24' | C29' | 180.0° | 180.0° |
| O13' | C25' | N2' | H12' | 0.4° | 0.0° |
| C20' | C19' | N1' | C21' | 118.4° | 118.9° |
| C20' | C19' | N1' | H19D | 124.0° | 122.5° |
| C20' | C19' | N1' | C23' | 133.6° | 88.1° |
| C20' | C19' | C21' | H19D | 122.1° | 122.4° |
| C20' | C19' | C21' | C22' | 144.2° | 91.9° |
| C20' | C19' | C21' | H21D | 96.9° | 26.3° |
| C20' | C19' | C21' | H21E | 25.4° | 149.8° |
| C19' | C20' | H20F | H20E | 120.0° | 120.0° |
| C19' | C20' | H20F | H20D | 120.0° | 119.9° |
| C19' | C20' | H20E | H20D | 120.0° | 120.0° |
| C20' | C19' | N1' | H11' | 12.9° | 91.4° |
| C19' | N1' | C23' | H11' | 120.8° | 179.6° |
| N1' | C19' | C21' | H19D | 118.0° | 118.5° |
| C19' | N1' | C23' | C24' | 177.9° | 159.4° |
| C19' | N1' | C23' | C22' | 2.1° | 20.9° |
| N1' | C19' | C21' | C22' | 24.3° | 27.2° |
| N1' | C19' | C21' | H21D | 143.2° | 145.4° |
| N1' | C19' | C21' | H21E | 94.5° | 91.1° |
| N1' | C19' | C20' | H20F | 180.0° | 175.0° |
| N1' | C19' | C20' | H20E | 60.0° | 64.9° |
| N1' | C19' | C20' | H20D | 60.0° | 55.1° |
| C23' | N1' | C19' | C21' | 15.2° | 30.7° |
| N1' | C23' | C24' | C25' | 0.1° | 0.3° |
| N1' | C23' | C24' | C22' | 175.0° | 179.7° |
| N1' | C23' | C24' | C29' | 179.9° | 179.7° |
| N1' | C23' | C22' | C21' | 18.7° | 2.4° |
| N1' | C23' | C22' | H22E | 138.4° | 121.3° |
| N1' | C23' | C22' | H22D | 101.0° | 116.6° |
| C23' | N1' | C19' | H19D | 102.4° | 149.4° |
| C19' | C21' | C22' | C23' | 27.5° | 15.6° |
| C19' | C21' | C22' | H21D | 118.8° | 118.2° |
| C19' | C21' | C22' | H21E | 118.9° | 118.4° |
| C19' | C21' | C22' | H22E | 147.2° | 103.3° |
| C19' | C21' | C22' | H22D | 92.2° | 134.5° |
| C19' | C21' | H21D | H21E | 123.3° | 123.6° |
| C21' | C19' | C20' | H20F | 66.9° | 59.9° |
| C21' | C19' | C20' | H20E | 173.1° | 180.0° |
| C21' | C19' | C20' | H20D | 53.1° | 60.0° |
| C21' | C19' | N1' | H11' | 105.5° | 149.7° |
| C25' | N2' | C26' | H12' | 180.0° | 180.0° |
| N2' | C25' | C24' | C23' | 179.9° | 180.0° |
| N2' | C25' | C24' | C29' | 0.1° | 0.0° |
| C25' | N2' | C26' | C29' | 0.6° | 0.0° |
| C25' | N2' | C26' | C27' | 179.7° | 179.7° |
| C24' | C25' | N2' | C26' | 0.3° | 0.0° |
| C25' | C24' | C23' | C29' | 179.8° | 180.0° |
| C25' | C24' | C23' | C22' | 175.0° | 180.0° |
| C25' | C24' | C29' | C26' | 0.4° | 0.0° |
| C25' | C24' | C29' | C30' | 177.4° | 179.8° |
| C24' | C25' | N2' | H12' | 179.6° | 180.0° |
| N2' | C26' | C29' | C24' | 0.6° | 0.0° |
| N2' | C26' | C29' | C27' | 179.0° | 179.7° |
| N2' | C26' | C29' | C30' | 177.5° | 179.7° |
| N2' | C26' | C27' | H27D | 180.0° | 89.7° |
| N2' | C26' | C27' | H27E | 60.0° | 30.3° |
| N2' | C26' | C27' | H1 | 60.0° | 150.3° |
| C24' | C23' | C22' | C21' | 165.5° | 177.9° |
| C23' | C24' | C29' | C26' | 179.8° | 180.0° |
| C23' | C24' | C29' | C30' | 2.4° | 0.2° |
| C24' | C23' | C22' | H22E | 45.8° | 58.9° |
| C24' | C23' | C22' | H22D | 74.8° | 63.1° |
| C24' | C23' | N1' | H11' | 61.3° | 20.2° |
| C22' | C23' | C24' | C29' | 5.2° | 0.0° |
| C23' | C22' | C21' | H22E | 119.7° | 118.9° |
| C23' | C22' | C21' | H22D | 119.7° | 118.9° |
| C23' | C22' | H22E | H22D | 120.9° | 122.0° |
| C23' | C22' | C21' | H21D | 146.3° | 133.8° |
| C23' | C22' | C21' | H21E | 91.4° | 102.8° |
| C22' | C23' | N1' | H11' | 122.9° | 159.5° |
| C24' | C29' | C26' | C30' | 178.1° | 179.8° |
| C24' | C29' | C26' | C27' | 179.7° | 179.7° |
| C24' | C29' | C30' | C31' | 126.1° | 85.3° |
| C24' | C29' | C30' | H30D | 5.4° | 34.7° |
| C24' | C29' | C30' | H30E | 113.2° | 154.7° |
| C21' | C22' | H22E | H22D | 120.9° | 122.2° |
| C22' | C21' | H21D | H21E | 123.3° | 123.3° |
| C22' | C21' | C19' | H19D | 93.7° | 145.7° |
| C26' | C29' | C30' | C31' | 56.4° | 95.0° |
| C29' | C26' | C27' | H27D | 1.1° | 90.0° |
| C29' | C26' | C27' | H27E | 118.9° | 150.0° |
| C29' | C26' | C27' | H1 | 121.1° | 30.0° |
| C29' | C26' | N2' | H12' | 179.3° | 180.0° |
| C26' | C29' | C30' | H30D | 177.1° | 145.0° |
| C26' | C29' | C30' | H30E | 64.3° | 25.0° |
| C27' | C26' | C29' | C30' | 1.5° | 0.0° |
| C26' | C27' | H27D | H27E | 120.0° | 120.0° |
| C26' | C27' | H27D | H1 | 120.0° | 120.0° |
| C26' | C27' | H27E | H1 | 120.0° | 120.0° |
| C27' | C26' | N2' | H12' | 0.3° | 0.3° |
| C29' | C30' | C31' | O14' | 83.4° | 0.0° |
| C29' | C30' | C31' | H30D | 120.7° | 120.0° |
| C29' | C30' | C31' | H30E | 120.7° | 119.9° |
| C29' | C30' | C31' | N3' | 112.7° | 180.0° |
| C29' | C30' | H30D | H30E | 118.0° | 120.0° |
| O14' | C31' | C30' | N3' | 163.9° | 179.9° |
| O14' | C31' | N3' | C42 | 17.4° | 0.1° |
| O14' | C31' | C30' | H30D | 37.2° | 120.0° |
| O14' | C31' | C30' | H30E | 155.9° | 120.0° |
| O14' | C31' | N3' | H13' | 162.7° | 180.0° |
| C27 | C26 | N2 | C29 | 179.6° | 179.8° |
| C27 | C26 | N2 | C25 | 179.3° | 180.0° |
| C27 | C26 | C29 | C24 | 179.2° | 179.8° |
| C27 | C26 | C29 | C30 | 1.5° | 0.2° |
| C26 | C27 | H27B | H27A | 120.0° | 120.1° |
| C26 | C27 | H27B | H4 | 120.0° | 120.0° |
| C26 | C27 | H27A | H4 | 120.0° | 120.1° |
| C27 | C26 | N2 | H12 | 0.7° | 0.1° |
| C26 | N2 | C25 | H12 | 180.0° | 180.0° |
| C26 | N2 | C25 | O13 | 179.9° | 180.0° |
| C26 | N2 | C25 | C24 | 0.1° | 0.1° |
| N2 | C26 | C29 | C24 | 0.4° | 0.3° |
| N2 | C26 | C29 | C30 | 178.8° | 179.7° |
| N2 | C26 | C27 | H27B | 180.0° | 89.8° |
| N2 | C26 | C27 | H27A | 60.0° | 30.3° |
| N2 | C26 | C27 | H4 | 60.0° | 150.3° |
| C25 | N2 | C26 | C29 | 0.3° | 0.2° |
| N2 | C25 | O13 | C24 | 180.0° | 179.9° |
| N2 | C25 | C24 | C29 | 0.1° | 0.2° |
| N2 | C25 | C24 | C23 | 179.9° | 180.0° |
| C30' | C31' | N3' | C42 | 179.6° | 180.0° |
| C31' | C30' | H30D | H30E | 118.0° | 120.0° |
| C30' | C31' | N3' | H13' | 0.4° | 0.1° |
| C31' | N3' | C42 | H13' | 180.0° | 179.9° |
| C31' | N3' | C42 | C41 | 101.9° | 180.0° |
| N3' | C31' | C30' | H30D | 126.6° | 59.9° |
| N3' | C31' | C30' | H30E | 8.0° | 60.1° |
| C31' | N3' | C42 | H42A | 138.1° | 59.9° |
| C31' | N3' | C42 | H42B | 18.1° | 60.0° |
| C26 | C29 | C24 | C25 | 0.3° | 0.3° |
| C26 | C29 | C24 | C30 | 179.0° | 180.0° |
| C26 | C29 | C24 | C23 | 179.8° | 179.9° |
| C26 | C29 | C30 | C31 | 74.6° | 95.1° |
| C29 | C26 | C27 | H27B | 0.4° | 90.0° |
| C29 | C26 | C27 | H27A | 120.5° | 149.9° |
| C29 | C26 | C27 | H4 | 119.6° | 29.9° |
| C29 | C26 | N2 | H12 | 179.7° | 179.8° |
| C26 | C29 | C30 | H30A | 165.3° | 144.9° |
| C26 | C29 | C30 | H30B | 45.5° | 24.9° |
| O13 | C25 | C24 | C29 | 179.9° | 179.8° |
| O13 | C25 | C24 | C23 | 0.1° | 0.1° |
| O13 | C25 | N2 | H12 | 0.1° | 0.0° |
| C25 | C24 | C29 | C23 | 179.9° | 179.8° |
| C25 | C24 | C29 | C30 | 178.7° | 179.7° |
| C25 | C24 | C23 | N1 | 0.2° | 0.0° |
| C25 | C24 | C23 | C22 | 170.4° | 180.0° |
| C24 | C25 | N2 | H12 | 179.9° | 180.0° |
| N3' | C42 | C41 | H42A | 120.0° | 120.0° |
| N3' | C42 | C41 | H42B | 120.0° | 120.0° |
| N3' | C42 | C41 | O16 | 18.6° | 0.0° |
| N3' | C42 | C41 | C40 | 161.6° | 180.0° |
| N3' | C42 | H42A | H42B | 120.0° | 119.9° |
| C42 | C41 | O16 | C40 | 179.9° | 180.0° |
| C42 | C41 | C40 | N4' | 0.3° | 0.3° |
| C42 | C41 | C40 | C39 | 179.8° | 180.0° |
| C41 | C42 | N3' | H13' | 78.1° | 0.1° |
| C41 | C42 | H42A | H42B | 120.0° | 120.0° |
| C24 | C29 | C30 | C31 | 106.4° | 84.9° |
| C29 | C24 | C23 | N1 | 179.7° | 179.7° |
| C29 | C24 | C23 | C22 | 9.6° | 0.3° |
| C24 | C29 | C30 | H30A | 13.6° | 35.1° |
| C24 | C29 | C30 | H30B | 133.5° | 155.1° |
| C30 | C29 | C24 | C23 | 1.2° | 0.1° |
| C29 | C30 | C31 | H30A | 120.1° | 120.1° |
| C29 | C30 | C31 | H30B | 120.1° | 120.0° |
| C29 | C30 | C31 | N3 | 132.3° | 180.0° |
| C29 | C30 | C31 | O14 | 47.9° | 0.0° |
| C29 | C30 | H30A | H30B | 119.7° | 120.1° |
| C24 | C23 | N1 | C22 | 172.2° | 180.0° |
| C24 | C23 | N1 | C19 | 157.9° | 159.5° |
| C24 | C23 | C22 | C21 | 175.7° | 177.9° |
| C24 | C23 | N1 | H11 | 37.2° | 20.2° |
| C24 | C23 | C22 | H22B | 64.5° | 63.2° |
| C24 | C23 | C22 | H22A | 55.8° | 59.0° |
| N37 | C37 | C38 | N4' | 1.0° | 0.0° |
| N37 | C37 | C38 | C36 | 179.0° | 180.0° |
| N37 | C37 | C38 | S12 | 178.8° | 179.9° |
| N37 | C37 | C36 | C35 | 0.0° | 5.5° |
| N37 | C37 | C36 | O15 | 178.7° | 174.5° |
| O16 | C41 | C40 | N4' | 179.8° | 179.7° |
| O16 | C41 | C40 | C39 | 0.1° | 0.1° |
| O16 | C41 | C42 | H42A | 138.6° | 120.0° |
| O16 | C41 | C42 | H42B | 101.4° | 120.0° |
| C41 | C40 | N4' | C39 | 179.9° | 179.7° |
| C41 | C40 | N4' | C38 | 179.8° | 180.0° |
| C41 | C40 | C39 | S12 | 179.9° | 180.0° |
| C40 | C41 | C42 | H42A | 41.5° | 60.0° |
| C40 | C41 | C42 | H42B | 78.4° | 60.0° |
| C41 | C40 | C39 | H39 | 0.1° | 0.0° |
| C30 | C31 | N3 | C32 | 179.1° | 180.0° |
| C30 | C31 | N3 | O14 | 179.8° | 180.0° |
| C30 | C31 | N3 | H13 | 0.9° | 0.0° |
| C31 | C30 | H30A | H30B | 119.7° | 119.9° |
| C32 | N3 | C31 | H13 | 180.0° | 180.0° |
| N3 | C32 | C33 | H32A | 120.1° | 120.0° |
| N3 | C32 | C33 | H32B | 120.1° | 120.0° |
| C32 | N3 | C31 | O14 | 1.1° | 0.0° |
| N3 | C32 | C33 | N4 | 145.3° | 90.0° |
| N3 | C32 | C33 | S11 | 38.3° | 90.0° |
| N3 | C32 | H32A | H32B | 119.8° | 120.0° |
| C31 | N3 | C32 | C33 | 135.0° | 180.0° |
| N3 | C31 | C30 | H30A | 107.6° | 60.0° |
| N3 | C31 | C30 | H30B | 12.2° | 59.9° |
| C31 | N3 | C32 | H32A | 104.9° | 60.0° |
| C31 | N3 | C32 | H32B | 15.0° | 60.0° |
| C40 | N4' | C38 | C37 | 179.7° | 180.0° |
| C40 | N4' | C38 | S12 | 0.1° | 0.1° |
| N4' | C40 | C39 | S12 | 0.0° | 0.3° |
| N4' | C40 | C39 | H39 | 180.0° | 179.7° |
| C38 | N4' | C40 | C39 | 0.1° | 0.3° |
| N4' | C38 | C37 | S12 | 179.8° | 179.9° |
| N4' | C38 | C37 | C36 | 180.0° | 180.0° |
| N4' | C38 | S12 | C39 | 0.1° | 0.0° |
| C32 | C33 | N4 | S11 | 176.6° | 180.0° |
| C32 | C33 | N4 | C35 | 175.2° | 179.9° |
| C32 | C33 | S11 | C34 | 176.0° | 180.0° |
| C33 | C32 | N3 | H13 | 45.0° | 0.0° |
| C33 | C32 | H32A | H32B | 119.8° | 120.0° |
| O14 | C31 | N3 | H13 | 178.9° | 180.0° |
| O14 | C31 | C30 | H30A | 72.2° | 120.1° |
| O14 | C31 | C30 | H30B | 168.0° | 120.0° |
| C23 | N1 | C19 | H11 | 120.7° | 179.7° |
| N1 | C23 | C22 | C21 | 3.5° | 2.1° |
| C23 | N1 | C19 | C20 | 143.9° | 149.3° |
| C23 | N1 | C19 | C21 | 25.7° | 30.3° |
| N1 | C23 | C22 | H22B | 123.3° | 116.8° |
| N1 | C23 | C22 | H22A | 116.4° | 121.0° |
| C23 | N1 | C19 | H19A | 91.9° | 88.2° |
| C22 | C23 | N1 | C19 | 14.3° | 20.5° |
| C23 | C22 | C21 | H22B | 119.8° | 119.0° |
| C23 | C22 | C21 | H22A | 119.8° | 118.9° |
| C23 | C22 | C21 | C19 | 18.5° | 15.6° |
| C22 | C23 | N1 | H11 | 135.0° | 159.8° |
| C23 | C22 | H22B | H22A | 120.5° | 122.1° |
| C23 | C22 | C21 | H21B | 100.4° | 102.6° |
| C23 | C22 | C21 | H21A | 137.4° | 134.0° |
| C40 | C39 | S12 | C38 | 0.0° | 0.2° |
| C40 | C39 | S12 | H39 | 180.0° | 180.0° |
| N1 | C19 | C21 | C22 | 24.7° | 26.9° |
| N1 | C19 | C20 | C21 | 112.6° | 115.1° |
| N1 | C19 | C20 | H19A | 124.8° | 122.4° |
| N1 | C19 | C21 | H19A | 118.0° | 118.6° |
| N1 | C19 | C21 | H21B | 94.2° | 91.3° |
| N1 | C19 | C21 | H21A | 143.6° | 145.3° |
| N1 | C19 | C20 | H20C | 180.0° | 58.5° |
| N1 | C19 | C20 | H20B | 60.0° | 178.6° |
| N1 | C19 | C20 | H20A | 60.0° | 61.5° |
| C33 | N4 | C35 | C36 | 175.1° | 180.0° |
| C33 | N4 | C35 | C34 | 1.4° | 0.2° |
| N4 | C33 | S11 | C34 | 0.8° | 0.0° |
| N4 | C33 | C32 | H32A | 25.2° | 30.0° |
| N4 | C33 | C32 | H32B | 94.6° | 150.0° |
| N4 | C35 | C36 | C37 | 3.9° | 5.3° |
| C35 | N4 | C33 | S11 | 1.4° | 0.1° |
| N4 | C35 | C36 | C34 | 176.2° | 179.7° |
| N4 | C35 | C36 | O15 | 177.4° | 174.7° |
| N4 | C35 | C34 | S11 | 0.8° | 0.2° |
| N4 | C35 | C34 | H34 | 179.2° | 179.8° |
| C37 | C38 | S12 | C39 | 179.7° | 179.9° |
| C38 | C37 | C36 | C35 | 179.0° | 174.4° |
| C38 | C37 | C36 | O15 | 2.4° | 5.5° |
| C38 | C37 | N37 | H15 | 179.0° | 174.6° |
| C36 | C37 | C38 | S12 | 0.2° | 0.1° |
| C37 | C36 | C35 | O15 | 178.7° | 180.0° |
| C37 | C36 | C35 | C34 | 179.9° | 174.4° |
| C36 | C37 | N37 | H15 | 0.0° | 5.4° |
| C38 | S12 | C39 | H39 | 180.0° | 179.8° |
| C33 | S11 | C34 | C35 | 0.0° | 0.2° |
| C33 | S11 | C34 | H34 | 180.0° | 179.9° |
| S11 | C33 | C32 | H32A | 158.3° | 150.0° |
| S11 | C33 | C32 | H32B | 81.8° | 30.0° |
| C36 | C35 | C34 | S11 | 175.7° | 180.0° |
| C36 | C35 | C34 | H34 | 4.3° | 0.0° |
| C34 | C35 | C36 | O15 | 1.2° | 5.6° |
| C35 | C34 | S11 | H34 | 180.0° | 180.0° |
| C22 | C21 | C19 | C20 | 144.4° | 145.8° |
| C22 | C21 | C19 | H21B | 118.9° | 118.2° |
| C22 | C21 | C19 | H21A | 118.9° | 118.4° |
| C21 | C22 | H22B | H22A | 120.5° | 122.1° |
| C22 | C21 | H21B | H21A | 123.1° | 123.5° |
| C22 | C21 | C19 | H19A | 93.4° | 91.7° |
| C20 | C19 | C21 | H19A | 122.3° | 122.5° |
| C20 | C19 | N1 | H11 | 95.4° | 31.0° |
| C20 | C19 | C21 | H21B | 25.5° | 27.6° |
| C20 | C19 | C21 | H21A | 96.7° | 95.8° |
| C19 | C20 | H20C | H20B | 120.0° | 120.1° |
| C19 | C20 | H20C | H20A | 120.0° | 120.0° |
| C19 | C20 | H20B | H20A | 120.0° | 120.0° |
| C21 | C19 | N1 | H11 | 146.4° | 150.0° |
| C19 | C21 | C22 | H22B | 138.4° | 134.5° |
| C19 | C21 | C22 | H22A | 101.3° | 103.3° |
| C19 | C21 | H21B | H21A | 123.1° | 123.5° |
| C21 | C19 | C20 | H20C | 67.4° | 56.6° |
| C21 | C19 | C20 | H20B | 172.6° | 63.5° |
| C21 | C19 | C20 | H20A | 52.6° | 176.6° |
| H11 | N1 | C19 | H19A | 28.8° | 91.5° |
| H13 | N3 | C32 | H32A | 75.1° | 120.0° |
| H13 | N3 | C32 | H32B | 165.1° | 120.0° |
| H27D | C27' | H27E | H1 | 120.0° | 120.0° |
| H22E | C22' | C21' | H21D | 94.0° | 14.9° |
| H22E | C22' | C21' | H21E | 28.3° | 138.3° |
| H22D | C22' | C21' | H21D | 26.6° | 107.2° |
| H22D | C22' | C21' | H21E | 148.9° | 16.1° |
| H21D | C21' | C19' | H19D | 25.1° | 96.0° |
| H21E | C21' | C19' | H19D | 147.4° | 27.4° |
| H19D | C19' | C20' | H20F | 55.5° | 62.5° |
| H19D | C19' | C20' | H20E | 64.5° | 57.6° |
| H19D | C19' | C20' | H20D | 175.5° | 177.6° |
| H19D | C19' | N1' | H11' | 136.8° | 31.1° |
| H20F | C20' | H20E | H20D | 120.0° | 120.0° |
| H13' | N3' | C42 | H42A | 41.9° | 120.0° |
| H13' | N3' | C42 | H42B | 161.9° | 120.1° |
| H27B | C27 | H27A | H4 | 120.0° | 119.9° |
| H22B | C22 | C21 | H21B | 19.4° | 16.4° |
| H22B | C22 | C21 | H21A | 102.7° | 107.0° |
| H22A | C22 | C21 | H21B | 139.8° | 138.5° |
| H22A | C22 | C21 | H21A | 17.6° | 15.1° |
| H21B | C21 | C19 | H19A | 147.7° | 150.1° |
| H21A | C21 | C19 | H19A | 25.5° | 26.7° |
| H19A | C19 | C20 | H20C | 55.2° | 179.1° |
| H19A | C19 | C20 | H20B | 64.8° | 59.0° |
| H19A | C19 | C20 | H20A | 175.2° | 60.9° |
| H20C | C20 | H20B | H20A | 120.0° | 119.9° |
