A1EV8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O50 | C49 | doub | 1.21Å | 1.20Å | |
| S48 | C49 | sing | 1.71Å | 1.85Å | |
| S48 | C47 | sing | 1.81Å | 1.83Å | |
| C49 | C51 | sing | 1.51Å | 1.51Å | |
| C46 | C47 | sing | 1.53Å | 1.50Å | |
| C46 | N45 | sing | 1.46Å | 1.45Å | |
| C52 | C51 | sing | 1.53Å | 1.55Å | |
| C52 | C53 | sing | 1.53Å | 1.53Å | |
| N45 | C43 | sing | 1.35Å | 1.47Å | |
| O44 | C43 | doub | 1.21Å | 1.22Å | |
| C43 | C42 | sing | 1.51Å | 1.54Å | |
| C53 | C54 | sing | 1.51Å | 1.57Å | |
| C42 | C41 | sing | 1.53Å | 1.58Å | |
| C41 | N40 | sing | 1.47Å | 1.44Å | |
| C55 | C54 | doub | 1.34Å | 1.38Å | Aromatic |
| C55 | N56 | sing | 1.37Å | 1.32Å | Aromatic |
| C54 | C62 | sing | 1.46Å | 1.41Å | Aromatic |
| N40 | C38 | sing | 1.35Å | 1.48Å | |
| N56 | C57 | sing | 1.38Å | 1.33Å | Aromatic |
| C03 | C02 | sing | 1.53Å | 1.53Å | |
| C62 | C57 | doub | 1.41Å | 1.37Å | Aromatic |
| C62 | C61 | sing | 1.40Å | 1.39Å | Aromatic |
| C01 | C02 | sing | 1.53Å | 1.54Å | |
| O37 | C36 | sing | 1.43Å | 1.39Å | |
| C38 | C36 | sing | 1.51Å | 1.59Å | |
| C38 | O39 | doub | 1.21Å | 1.21Å | |
| C57 | C58 | sing | 1.39Å | 1.39Å | Aromatic |
| C61 | C60 | doub | 1.37Å | 1.39Å | Aromatic |
| C02 | C36 | sing | 1.53Å | 1.55Å | |
| C02 | C04 | sing | 1.53Å | 1.56Å | |
| C58 | C59 | doub | 1.38Å | 1.38Å | Aromatic |
| C60 | C59 | sing | 1.39Å | 1.38Å | Aromatic |
| C04 | O05 | sing | 1.43Å | 1.42Å | |
| O05 | P06 | sing | 1.61Å | 1.69Å | |
| N24 | C25 | doub | 1.32Å | 1.34Å | Aromatic |
| N24 | C22 | sing | 1.33Å | 1.33Å | Aromatic |
| C25 | N26 | sing | 1.32Å | 1.31Å | Aromatic |
| N23 | C22 | sing | 1.38Å | 1.45Å | |
| P06 | O08 | doub | 1.48Å | 1.56Å | |
| P06 | O09 | sing | 1.61Å | 1.62Å | |
| P06 | O07 | sing | 1.61Å | 1.48Å | |
| C22 | C21 | doub | 1.41Å | 1.39Å | Aromatic |
| O11 | P10 | doub | 1.48Å | 1.54Å | |
| O09 | P10 | sing | 1.61Å | 1.67Å | |
| N26 | C27 | doub | 1.33Å | 1.34Å | Aromatic |
| P10 | O13 | sing | 1.61Å | 1.66Å | |
| P10 | O12 | sing | 1.61Å | 1.49Å | |
| C21 | C27 | sing | 1.40Å | 1.38Å | Aromatic |
| C21 | N20 | sing | 1.35Å | 1.34Å | Aromatic |
| C27 | N18 | sing | 1.37Å | 1.32Å | Aromatic |
| O13 | C14 | sing | 1.43Å | 1.41Å | |
| N20 | C19 | doub | 1.30Å | 1.31Å | Aromatic |
| N18 | C19 | sing | 1.36Å | 1.33Å | Aromatic |
| N18 | C17 | sing | 1.46Å | 1.47Å | |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| O16 | C17 | sing | 1.44Å | 1.55Å | |
| O16 | C15 | sing | 1.44Å | 1.55Å | |
| C28 | C17 | sing | 1.55Å | 1.33Å | |
| C28 | O29 | sing | 1.43Å | 1.43Å | |
| C28 | C30 | sing | 1.55Å | 1.60Å | |
| C15 | C30 | sing | 1.54Å | 1.34Å | |
| C30 | O31 | sing | 1.43Å | 1.42Å | |
| O34 | P32 | doub | 1.48Å | 1.49Å | |
| O31 | P32 | sing | 1.61Å | 1.66Å | |
| P32 | O33 | sing | 1.61Å | 1.51Å | |
| P32 | O35 | sing | 1.61Å | 1.53Å | |
| C15 | H1 | sing | 1.09Å | 1.10Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C28 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C03 | H7 | sing | 1.09Å | 1.10Å | |
| C03 | H8 | sing | 1.09Å | 1.10Å | |
| C03 | H9 | sing | 1.09Å | 1.10Å | |
| C04 | H10 | sing | 1.09Å | 1.10Å | |
| C04 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.08Å | 1.08Å | |
| C25 | H15 | sing | 1.08Å | 1.08Å | |
| C30 | H16 | sing | 1.09Å | 1.10Å | |
| C36 | H17 | sing | 1.09Å | 1.10Å | |
| C41 | H18 | sing | 1.09Å | 1.10Å | |
| C41 | H19 | sing | 1.09Å | 1.10Å | |
| C42 | H20 | sing | 1.09Å | 1.10Å | |
| C42 | H21 | sing | 1.09Å | 1.10Å | |
| C46 | H22 | sing | 1.09Å | 1.10Å | |
| C46 | H23 | sing | 1.09Å | 1.10Å | |
| C47 | H24 | sing | 1.09Å | 1.10Å | |
| C47 | H25 | sing | 1.09Å | 1.10Å | |
| C51 | H26 | sing | 1.09Å | 1.10Å | |
| C51 | H27 | sing | 1.09Å | 1.10Å | |
| C52 | H28 | sing | 1.09Å | 1.10Å | |
| C52 | H29 | sing | 1.09Å | 1.10Å | |
| C53 | H30 | sing | 1.09Å | 1.10Å | |
| C53 | H31 | sing | 1.09Å | 1.10Å | |
| C55 | H32 | sing | 1.08Å | 1.08Å | |
| C58 | H33 | sing | 1.08Å | 1.08Å | |
| C59 | H34 | sing | 1.08Å | 1.08Å | |
| C60 | H35 | sing | 1.08Å | 1.08Å | |
| C61 | H36 | sing | 1.08Å | 1.08Å | |
| N23 | H37 | sing | 0.97Å | 1.00Å | |
| N23 | H38 | sing | 0.97Å | 1.00Å | |
| N40 | H39 | sing | 0.97Å | 1.00Å | |
| N45 | H40 | sing | 0.97Å | 1.00Å | |
| N56 | H41 | sing | 0.97Å | 1.00Å | |
| O07 | H42 | sing | 0.97Å | 0.95Å | |
| O12 | H43 | sing | 0.97Å | 0.95Å | |
| O29 | H44 | sing | 0.97Å | 0.95Å | |
| O33 | H45 | sing | 0.97Å | 0.95Å | |
| O35 | H46 | sing | 0.97Å | 0.95Å | |
| O37 | H47 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O50 | C49 | S48 | 120.2° | 120.0° |
| O50 | C49 | C51 | 120.0° | 120.0° |
| C49 | S48 | C47 | 109.2° | 100.0° |
| S48 | C49 | C51 | 119.8° | 120.0° |
| S48 | C47 | C46 | 109.2° | 109.5° |
| S48 | C47 | H24 | 109.5° | 109.5° |
| S48 | C47 | H25 | 109.6° | 109.5° |
| C49 | C51 | C52 | 111.4° | 109.4° |
| C49 | C51 | H26 | 109.0° | 109.5° |
| C49 | C51 | H27 | 109.0° | 109.5° |
| C47 | C46 | N45 | 108.7° | 109.5° |
| C47 | C46 | H22 | 109.6° | 109.5° |
| C47 | C46 | H23 | 109.6° | 109.5° |
| C46 | C47 | H24 | 109.5° | 109.5° |
| C46 | C47 | H25 | 109.5° | 109.5° |
| C46 | N45 | C43 | 118.5° | 120.0° |
| N45 | C46 | H22 | 109.7° | 109.4° |
| N45 | C46 | H23 | 109.7° | 109.5° |
| C46 | N45 | H40 | 120.7° | 120.0° |
| C51 | C52 | C53 | 112.0° | 109.4° |
| C52 | C51 | H26 | 109.0° | 109.5° |
| C52 | C51 | H27 | 109.0° | 109.4° |
| C51 | C52 | H28 | 108.8° | 109.5° |
| C51 | C52 | H29 | 108.8° | 109.4° |
| C52 | C53 | C54 | 110.5° | 109.5° |
| C53 | C52 | H28 | 108.8° | 109.5° |
| C53 | C52 | H29 | 108.9° | 109.5° |
| C52 | C53 | H30 | 109.2° | 109.5° |
| C52 | C53 | H31 | 109.2° | 109.5° |
| N45 | C43 | O44 | 119.5° | 120.0° |
| N45 | C43 | C42 | 120.2° | 120.0° |
| C43 | N45 | H40 | 120.7° | 120.0° |
| O44 | C43 | C42 | 120.3° | 120.0° |
| C43 | C42 | C41 | 119.0° | 109.4° |
| C43 | C42 | H20 | 107.0° | 109.5° |
| C43 | C42 | H21 | 107.0° | 109.4° |
| C53 | C54 | C55 | 126.4° | 126.5° |
| C53 | C54 | C62 | 127.6° | 126.5° |
| C54 | C53 | H30 | 109.2° | 109.5° |
| C54 | C53 | H31 | 109.2° | 109.5° |
| C42 | C41 | N40 | 113.3° | 109.4° |
| C42 | C41 | H18 | 108.5° | 109.5° |
| C42 | C41 | H19 | 108.5° | 109.5° |
| C41 | C42 | H20 | 107.1° | 109.5° |
| C41 | C42 | H21 | 107.1° | 109.4° |
| C41 | N40 | C38 | 121.4° | 120.0° |
| N40 | C41 | H18 | 108.5° | 109.5° |
| N40 | C41 | H19 | 108.5° | 109.5° |
| C41 | N40 | H39 | 119.3° | 120.0° |
| C54 | C55 | N56 | 108.9° | 109.9° |
| C55 | C54 | C62 | 106.0° | 107.0° |
| C54 | C55 | H32 | 125.6° | 125.0° |
| C55 | N56 | C57 | 110.0° | 109.9° |
| N56 | C55 | H32 | 125.5° | 125.1° |
| C55 | N56 | H41 | 125.0° | 125.1° |
| C54 | C62 | C57 | 106.4° | 106.1° |
| C54 | C62 | C61 | 133.9° | 134.0° |
| N40 | C38 | C36 | 120.1° | 120.0° |
| N40 | C38 | O39 | 119.9° | 120.0° |
| C38 | N40 | H39 | 119.3° | 120.0° |
| N56 | C57 | C62 | 108.6° | 107.1° |
| N56 | C57 | C58 | 130.9° | 133.6° |
| C57 | N56 | H41 | 125.0° | 125.0° |
| C03 | C02 | C01 | 109.0° | 109.5° |
| C03 | C02 | C36 | 109.9° | 109.5° |
| C03 | C02 | C04 | 109.6° | 109.4° |
| C02 | C03 | H7 | 109.5° | 109.4° |
| C02 | C03 | H8 | 109.5° | 109.4° |
| C02 | C03 | H9 | 109.5° | 109.5° |
| C57 | C62 | C61 | 119.7° | 120.0° |
| C62 | C57 | C58 | 120.4° | 119.3° |
| C62 | C61 | C60 | 119.9° | 119.7° |
| C62 | C61 | H36 | 120.0° | 120.2° |
| C01 | C02 | C36 | 110.3° | 109.5° |
| C01 | C02 | C04 | 109.0° | 109.5° |
| C02 | C01 | H4 | 109.5° | 109.5° |
| C02 | C01 | H5 | 109.4° | 109.5° |
| C02 | C01 | H6 | 109.5° | 109.5° |
| O37 | C36 | C38 | 107.7° | 109.5° |
| O37 | C36 | C02 | 108.2° | 109.5° |
| O37 | C36 | H17 | 110.1° | 109.5° |
| C36 | O37 | H47 | 109.5° | 114.0° |
| C36 | C38 | O39 | 120.0° | 120.0° |
| C38 | C36 | C02 | 115.4° | 109.4° |
| C38 | C36 | H17 | 107.5° | 109.5° |
| C57 | C58 | C59 | 119.9° | 119.8° |
| C57 | C58 | H33 | 120.1° | 120.1° |
| C61 | C60 | C59 | 120.3° | 120.6° |
| C61 | C60 | H35 | 119.9° | 119.7° |
| C60 | C61 | H36 | 120.0° | 120.1° |
| C36 | C02 | C04 | 109.0° | 109.5° |
| C02 | C36 | H17 | 107.9° | 109.5° |
| C02 | C04 | O05 | 108.2° | 109.5° |
| C02 | C04 | H10 | 109.8° | 109.5° |
| C02 | C04 | H11 | 109.8° | 109.5° |
| C58 | C59 | C60 | 119.8° | 120.6° |
| C59 | C58 | H33 | 120.1° | 120.1° |
| C58 | C59 | H34 | 120.1° | 119.7° |
| C60 | C59 | H34 | 120.1° | 119.7° |
| C59 | C60 | H35 | 119.9° | 119.7° |
| C04 | O05 | P06 | 118.5° | 123.0° |
| O05 | C04 | H10 | 109.8° | 109.5° |
| O05 | C04 | H11 | 109.8° | 109.5° |
| O05 | P06 | O08 | 109.3° | 109.5° |
| O05 | P06 | O09 | 109.8° | 109.5° |
| O05 | P06 | O07 | 109.7° | 109.5° |
| C25 | N24 | C22 | 120.5° | 121.1° |
| N24 | C25 | N26 | 122.1° | 122.5° |
| N24 | C25 | H15 | 119.0° | 118.7° |
| N24 | C22 | N23 | 120.7° | 120.7° |
| N24 | C22 | C21 | 119.2° | 118.5° |
| C25 | N26 | C27 | 120.0° | 120.6° |
| N26 | C25 | H15 | 118.9° | 118.8° |
| N23 | C22 | C21 | 120.0° | 120.8° |
| C22 | N23 | H37 | 109.5° | 120.0° |
| C22 | N23 | H38 | 109.4° | 120.0° |
| O08 | P06 | O09 | 108.8° | 109.5° |
| O08 | P06 | O07 | 109.5° | 109.4° |
| O09 | P06 | O07 | 109.8° | 109.5° |
| P06 | O09 | P10 | 122.5° | 134.0° |
| P06 | O07 | H42 | 109.5° | 114.0° |
| C22 | C21 | C27 | 118.2° | 118.2° |
| C22 | C21 | N20 | 134.1° | 134.7° |
| O11 | P10 | O09 | 109.4° | 109.5° |
| O11 | P10 | O13 | 109.4° | 109.5° |
| O11 | P10 | O12 | 109.3° | 109.4° |
| O09 | P10 | O13 | 110.1° | 109.5° |
| O09 | P10 | O12 | 109.4° | 109.5° |
| N26 | C27 | C21 | 119.9° | 119.1° |
| N26 | C27 | N18 | 133.3° | 134.9° |
| O13 | P10 | O12 | 109.3° | 109.4° |
| P10 | O13 | C14 | 118.3° | 123.0° |
| P10 | O12 | H43 | 109.5° | 114.0° |
| C27 | C21 | N20 | 107.6° | 107.2° |
| C21 | C27 | N18 | 106.8° | 106.0° |
| C21 | N20 | C19 | 107.3° | 109.4° |
| C27 | N18 | C19 | 107.8° | 107.4° |
| C27 | N18 | C17 | 126.6° | 126.3° |
| O13 | C14 | C15 | 109.3° | 109.5° |
| O13 | C14 | H12 | 109.5° | 109.5° |
| O13 | C14 | H13 | 109.5° | 109.4° |
| N20 | C19 | N18 | 110.4° | 110.0° |
| N20 | C19 | H14 | 124.8° | 125.0° |
| C19 | N18 | C17 | 125.5° | 126.3° |
| N18 | C19 | H14 | 124.8° | 125.0° |
| N18 | C17 | O16 | 115.8° | 110.6° |
| N18 | C17 | C28 | 111.3° | 110.6° |
| N18 | C17 | H2 | 109.0° | 110.6° |
| C14 | C15 | O16 | 112.0° | 110.1° |
| C14 | C15 | C30 | 110.2° | 109.9° |
| C14 | C15 | H1 | 108.6° | 109.8° |
| C15 | C14 | H12 | 109.5° | 109.5° |
| C15 | C14 | H13 | 109.5° | 109.4° |
| C17 | O16 | C15 | 103.2° | 106.9° |
| O16 | C17 | C28 | 101.6° | 103.6° |
| O16 | C17 | H2 | 107.9° | 110.6° |
| O16 | C15 | C30 | 106.1° | 107.4° |
| O16 | C15 | H1 | 108.5° | 109.8° |
| C17 | C28 | O29 | 111.5° | 110.9° |
| C17 | C28 | C30 | 102.8° | 102.1° |
| C28 | C17 | H2 | 111.0° | 110.6° |
| C17 | C28 | H3 | 112.4° | 110.9° |
| O29 | C28 | C30 | 110.7° | 110.9° |
| O29 | C28 | H3 | 110.7° | 110.8° |
| C28 | O29 | H44 | 109.5° | 114.0° |
| C28 | C30 | C15 | 105.6° | 104.2° |
| C28 | C30 | O31 | 110.1° | 110.5° |
| C30 | C28 | H3 | 108.5° | 110.9° |
| C28 | C30 | H16 | 108.5° | 110.4° |
| C15 | C30 | O31 | 109.3° | 110.5° |
| C30 | C15 | H1 | 111.5° | 109.9° |
| C15 | C30 | H16 | 112.2° | 110.6° |
| C30 | O31 | P32 | 119.8° | 123.0° |
| O31 | C30 | H16 | 111.0° | 110.4° |
| O34 | P32 | O31 | 109.6° | 109.5° |
| O34 | P32 | O33 | 109.6° | 109.5° |
| O34 | P32 | O35 | 109.5° | 109.4° |
| O31 | P32 | O33 | 109.8° | 109.5° |
| O31 | P32 | O35 | 109.1° | 109.5° |
| O33 | P32 | O35 | 109.2° | 109.4° |
| P32 | O33 | H45 | 109.5° | 114.1° |
| P32 | O35 | H46 | 109.5° | 113.9° |
| H4 | C01 | H5 | 109.4° | 109.5° |
| H4 | C01 | H6 | 109.5° | 109.4° |
| H5 | C01 | H6 | 109.5° | 109.5° |
| H7 | C03 | H8 | 109.4° | 109.5° |
| H7 | C03 | H9 | 109.5° | 109.5° |
| H8 | C03 | H9 | 109.5° | 109.5° |
| H10 | C04 | H11 | 109.5° | 109.5° |
| H12 | C14 | H13 | 109.5° | 109.5° |
| H18 | C41 | H19 | 109.5° | 109.5° |
| H20 | C42 | H21 | 109.5° | 109.5° |
| H22 | C46 | H23 | 109.5° | 109.5° |
| H24 | C47 | H25 | 109.4° | 109.5° |
| H26 | C51 | H27 | 109.5° | 109.5° |
| H28 | C52 | H29 | 109.5° | 109.5° |
| H30 | C53 | H31 | 109.5° | 109.5° |
| H37 | N23 | H38 | 109.5° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O50 | C49 | S48 | C51 | 179.9° | 180.0° |
| O50 | C49 | S48 | C47 | 130.6° | 0.0° |
| O50 | C49 | C51 | C52 | 51.9° | 0.0° |
| O50 | C49 | C51 | H26 | 172.2° | 120.0° |
| O50 | C49 | C51 | H27 | 68.4° | 119.9° |
| C49 | S48 | C47 | C46 | 119.6° | 180.0° |
| S48 | C49 | C51 | C52 | 128.1° | 180.0° |
| C49 | S48 | C47 | H24 | 0.4° | 60.0° |
| C49 | S48 | C47 | H25 | 120.5° | 60.0° |
| S48 | C49 | C51 | H26 | 7.8° | 60.0° |
| S48 | C49 | C51 | H27 | 111.7° | 60.0° |
| C47 | S48 | C49 | C51 | 49.5° | 180.0° |
| S48 | C47 | C46 | H24 | 120.0° | 120.0° |
| S48 | C47 | C46 | H25 | 120.0° | 120.0° |
| S48 | C47 | C46 | N45 | 179.6° | 180.0° |
| S48 | C47 | C46 | H22 | 60.5° | 60.0° |
| S48 | C47 | C46 | H23 | 59.7° | 60.0° |
| S48 | C47 | H24 | H25 | 120.1° | 120.0° |
| C49 | C51 | C52 | H26 | 120.3° | 120.0° |
| C49 | C51 | C52 | H27 | 120.3° | 120.0° |
| C49 | C51 | C52 | C53 | 125.6° | 180.0° |
| C49 | C51 | H26 | H27 | 119.1° | 120.0° |
| C49 | C51 | C52 | H28 | 114.1° | 60.0° |
| C49 | C51 | C52 | H29 | 5.2° | 60.0° |
| C47 | C46 | N45 | H22 | 119.9° | 120.0° |
| C47 | C46 | N45 | H23 | 119.9° | 120.0° |
| C47 | C46 | N45 | C43 | 86.8° | 180.0° |
| C47 | C46 | H22 | H23 | 120.3° | 120.0° |
| C46 | C47 | H24 | H25 | 120.1° | 120.0° |
| C47 | C46 | N45 | H40 | 93.2° | 0.0° |
| C46 | N45 | C43 | H40 | 180.0° | 180.0° |
| C46 | N45 | C43 | O44 | 0.3° | 0.0° |
| C46 | N45 | C43 | C42 | 179.5° | 179.9° |
| N45 | C46 | H22 | H23 | 120.4° | 120.0° |
| N45 | C46 | C47 | H24 | 59.6° | 60.0° |
| N45 | C46 | C47 | H25 | 60.4° | 60.0° |
| C51 | C52 | C53 | H28 | 120.4° | 120.0° |
| C51 | C52 | C53 | H29 | 120.4° | 120.0° |
| C51 | C52 | C53 | C54 | 106.4° | 180.0° |
| C52 | C51 | H26 | H27 | 119.1° | 120.0° |
| C51 | C52 | H28 | H29 | 118.8° | 120.0° |
| C51 | C52 | C53 | H30 | 133.4° | 60.0° |
| C51 | C52 | C53 | H31 | 13.7° | 60.0° |
| C52 | C53 | C54 | H30 | 120.2° | 120.0° |
| C52 | C53 | C54 | H31 | 120.2° | 120.0° |
| C52 | C53 | C54 | C55 | 71.6° | 95.0° |
| C52 | C53 | C54 | C62 | 107.9° | 85.0° |
| C53 | C52 | C51 | H26 | 5.3° | 60.0° |
| C53 | C52 | C51 | H27 | 114.2° | 60.0° |
| C53 | C52 | H28 | H29 | 118.9° | 120.1° |
| C52 | C53 | H30 | H31 | 119.5° | 120.0° |
| N45 | C43 | O44 | C42 | 179.7° | 180.0° |
| N45 | C43 | C42 | C41 | 2.4° | 180.0° |
| N45 | C43 | C42 | H20 | 123.8° | 60.0° |
| N45 | C43 | C42 | H21 | 118.9° | 60.1° |
| C43 | N45 | C46 | H22 | 33.1° | 60.0° |
| C43 | N45 | C46 | H23 | 153.4° | 60.0° |
| O44 | C43 | C42 | C41 | 177.3° | 0.0° |
| O44 | C43 | C42 | H20 | 56.0° | 120.0° |
| O44 | C43 | C42 | H21 | 61.3° | 120.0° |
| O44 | C43 | N45 | H40 | 179.8° | 180.0° |
| C43 | C42 | C41 | H20 | 121.3° | 120.0° |
| C43 | C42 | C41 | H21 | 121.3° | 119.9° |
| C43 | C42 | C41 | N40 | 57.8° | 180.0° |
| C43 | C42 | C41 | H18 | 178.4° | 60.0° |
| C43 | C42 | C41 | H19 | 62.7° | 60.0° |
| C43 | C42 | H20 | H21 | 115.7° | 120.0° |
| C42 | C43 | N45 | H40 | 0.5° | 0.0° |
| C53 | C54 | C55 | C62 | 179.6° | 180.0° |
| C53 | C54 | C55 | N56 | 179.6° | 180.0° |
| C53 | C54 | C62 | C57 | 179.7° | 180.0° |
| C53 | C54 | C62 | C61 | 0.4° | 0.0° |
| C54 | C53 | C52 | H28 | 14.0° | 60.0° |
| C54 | C53 | C52 | H29 | 133.2° | 60.0° |
| C54 | C53 | H30 | H31 | 119.5° | 120.0° |
| C53 | C54 | C55 | H32 | 0.5° | 0.0° |
| C42 | C41 | N40 | H18 | 120.6° | 120.0° |
| C42 | C41 | N40 | H19 | 120.6° | 120.0° |
| C42 | C41 | N40 | C38 | 74.7° | 180.0° |
| C42 | C41 | H18 | H19 | 118.2° | 120.0° |
| C41 | C42 | H20 | H21 | 115.8° | 120.0° |
| C42 | C41 | N40 | H39 | 105.4° | 0.0° |
| C41 | N40 | C38 | H39 | 180.0° | 180.0° |
| C41 | N40 | C38 | C36 | 179.0° | 175.0° |
| C41 | N40 | C38 | O39 | 0.5° | 4.9° |
| N40 | C41 | H18 | H19 | 118.3° | 120.0° |
| N40 | C41 | C42 | H20 | 63.5° | 60.0° |
| N40 | C41 | C42 | H21 | 179.1° | 60.0° |
| C54 | C55 | N56 | H32 | 180.0° | 180.0° |
| C54 | C55 | N56 | C57 | 0.2° | 0.0° |
| C55 | C54 | C62 | C57 | 0.2° | 0.0° |
| C55 | C54 | C62 | C61 | 180.0° | 180.0° |
| C55 | C54 | C53 | H30 | 48.6° | 25.0° |
| C55 | C54 | C53 | H31 | 168.3° | 145.0° |
| C54 | C55 | N56 | H41 | 179.8° | 179.7° |
| N56 | C55 | C54 | C62 | 0.0° | 0.0° |
| C55 | N56 | C57 | H41 | 180.0° | 179.7° |
| C55 | N56 | C57 | C62 | 0.3° | 0.0° |
| C55 | N56 | C57 | C58 | 179.9° | 179.7° |
| C54 | C62 | C57 | N56 | 0.3° | 0.0° |
| C54 | C62 | C57 | C61 | 179.9° | 180.0° |
| C54 | C62 | C57 | C58 | 179.9° | 179.8° |
| C54 | C62 | C61 | C60 | 179.8° | 180.0° |
| C62 | C54 | C53 | H30 | 131.9° | 155.0° |
| C62 | C54 | C53 | H31 | 12.3° | 35.0° |
| C62 | C54 | C55 | H32 | 180.0° | 180.0° |
| C54 | C62 | C61 | H36 | 0.2° | 0.0° |
| N40 | C38 | C36 | O37 | 25.7° | 166.1° |
| N40 | C38 | C36 | O39 | 179.5° | 180.0° |
| N40 | C38 | C36 | C02 | 95.4° | 73.9° |
| N40 | C38 | C36 | H17 | 144.3° | 46.1° |
| C38 | N40 | C41 | H18 | 45.9° | 60.0° |
| C38 | N40 | C41 | H19 | 164.8° | 60.0° |
| N56 | C57 | C62 | C58 | 179.8° | 179.8° |
| N56 | C57 | C62 | C61 | 179.9° | 180.0° |
| N56 | C57 | C58 | C59 | 179.8° | 179.9° |
| C57 | N56 | C55 | H32 | 179.8° | 180.0° |
| N56 | C57 | C58 | H33 | 0.2° | 0.3° |
| C03 | C02 | C01 | C36 | 120.8° | 120.0° |
| C03 | C02 | C01 | C04 | 119.6° | 120.0° |
| C03 | C02 | C36 | O37 | 111.5° | 174.7° |
| C03 | C02 | C36 | C38 | 9.3° | 65.3° |
| C03 | C02 | C36 | C04 | 120.2° | 120.0° |
| C03 | C02 | C04 | O05 | 86.5° | 60.0° |
| C03 | C02 | C01 | H4 | 180.0° | 174.7° |
| C03 | C02 | C01 | H5 | 60.0° | 54.7° |
| C03 | C02 | C01 | H6 | 60.0° | 65.4° |
| C02 | C03 | H7 | H8 | 120.0° | 119.9° |
| C02 | C03 | H7 | H9 | 120.0° | 120.0° |
| C02 | C03 | H8 | H9 | 120.0° | 120.0° |
| C03 | C02 | C04 | H10 | 153.7° | 60.0° |
| C03 | C02 | C04 | H11 | 33.3° | 180.0° |
| C03 | C02 | C36 | H17 | 129.4° | 54.6° |
| C57 | C62 | C61 | C60 | 0.0° | 0.0° |
| C62 | C57 | C58 | C59 | 0.0° | 0.4° |
| C62 | C57 | C58 | H33 | 180.0° | 180.0° |
| C57 | C62 | C61 | H36 | 180.0° | 179.9° |
| C62 | C57 | N56 | H41 | 179.7° | 179.7° |
| C61 | C62 | C57 | C58 | 0.0° | 0.2° |
| C62 | C61 | C60 | H36 | 180.0° | 179.9° |
| C62 | C61 | C60 | C59 | 0.1° | 0.0° |
| C62 | C61 | C60 | H35 | 179.9° | 180.0° |
| C01 | C02 | C36 | O37 | 8.7° | 54.6° |
| C01 | C02 | C36 | C38 | 129.5° | 174.6° |
| C01 | C02 | C36 | C04 | 119.7° | 120.0° |
| C01 | C02 | C04 | O05 | 154.2° | 60.0° |
| C02 | C01 | H4 | H5 | 120.0° | 120.1° |
| C02 | C01 | H4 | H6 | 120.0° | 120.0° |
| C02 | C01 | H5 | H6 | 120.0° | 120.0° |
| C01 | C02 | C03 | H7 | 180.0° | 67.1° |
| C01 | C02 | C03 | H8 | 60.0° | 52.8° |
| C01 | C02 | C03 | H9 | 60.0° | 172.9° |
| C01 | C02 | C04 | H10 | 34.5° | 180.0° |
| C01 | C02 | C04 | H11 | 86.0° | 60.0° |
| C01 | C02 | C36 | H17 | 110.4° | 65.4° |
| O37 | C36 | C38 | C02 | 121.1° | 120.0° |
| O37 | C36 | C38 | H17 | 118.6° | 120.0° |
| O37 | C36 | C38 | O39 | 153.9° | 13.8° |
| O37 | C36 | C02 | H17 | 119.1° | 120.0° |
| O37 | C36 | C02 | C04 | 128.4° | 65.3° |
| C38 | C36 | C02 | H17 | 120.1° | 120.0° |
| C38 | C36 | C02 | C04 | 110.8° | 54.6° |
| C36 | C38 | N40 | H39 | 0.9° | 5.0° |
| C38 | C36 | O37 | H47 | 180.0° | 60.0° |
| O39 | C38 | C36 | C02 | 85.1° | 106.2° |
| O39 | C38 | C36 | H17 | 35.3° | 133.9° |
| O39 | C38 | N40 | H39 | 179.5° | 175.1° |
| C57 | C58 | C59 | H33 | 180.0° | 179.6° |
| C57 | C58 | C59 | C60 | 0.1° | 0.4° |
| C57 | C58 | C59 | H34 | 179.9° | 179.8° |
| C58 | C57 | N56 | H41 | 0.1° | 0.0° |
| C61 | C60 | C59 | C58 | 0.1° | 0.2° |
| C61 | C60 | C59 | H35 | 180.0° | 179.9° |
| C61 | C60 | C59 | H34 | 179.9° | 180.0° |
| C36 | C02 | C04 | O05 | 33.8° | 180.0° |
| C36 | C02 | C01 | H4 | 59.2° | 65.3° |
| C36 | C02 | C01 | H5 | 60.7° | 174.7° |
| C36 | C02 | C01 | H6 | 179.2° | 54.7° |
| C36 | C02 | C03 | H7 | 59.1° | 52.9° |
| C36 | C02 | C03 | H8 | 179.0° | 172.9° |
| C36 | C02 | C03 | H9 | 61.0° | 67.1° |
| C36 | C02 | C04 | H10 | 85.9° | 60.0° |
| C36 | C02 | C04 | H11 | 153.6° | 60.0° |
| C02 | C36 | O37 | H47 | 54.5° | 59.9° |
| C02 | C04 | O05 | H10 | 119.8° | 120.0° |
| C02 | C04 | O05 | H11 | 119.8° | 120.0° |
| C02 | C04 | O05 | P06 | 173.9° | 180.0° |
| C04 | C02 | C01 | H4 | 60.4° | 54.7° |
| C04 | C02 | C01 | H5 | 179.7° | 65.3° |
| C04 | C02 | C01 | H6 | 59.6° | 174.7° |
| C04 | C02 | C03 | H7 | 60.7° | 172.9° |
| C04 | C02 | C03 | H8 | 59.3° | 67.2° |
| C04 | C02 | C03 | H9 | 179.3° | 52.9° |
| C02 | C04 | H10 | H11 | 120.6° | 120.0° |
| C04 | C02 | C36 | H17 | 9.3° | 174.6° |
| C58 | C59 | C60 | H34 | 180.0° | 179.8° |
| C58 | C59 | C60 | H35 | 179.9° | 179.8° |
| C60 | C59 | C58 | H33 | 179.9° | 180.0° |
| C59 | C60 | C61 | H36 | 179.9° | 180.0° |
| C04 | O05 | P06 | O08 | 107.6° | 55.0° |
| C04 | O05 | P06 | O09 | 11.7° | 175.0° |
| C04 | O05 | P06 | O07 | 132.4° | 65.0° |
| O05 | C04 | H10 | H11 | 120.6° | 120.0° |
| O05 | P06 | O08 | O09 | 119.9° | 120.0° |
| O05 | P06 | O08 | O07 | 120.2° | 120.0° |
| O05 | P06 | O09 | O07 | 120.7° | 120.0° |
| O05 | P06 | O09 | P10 | 136.9° | 165.0° |
| P06 | O05 | C04 | H10 | 66.3° | 60.0° |
| P06 | O05 | C04 | H11 | 54.1° | 60.0° |
| O05 | P06 | O07 | H42 | 119.9° | 60.0° |
| N24 | C25 | N26 | H15 | 180.0° | 180.0° |
| C25 | N24 | C22 | N23 | 179.8° | 180.0° |
| C25 | N24 | C22 | C21 | 0.2° | 0.0° |
| N24 | C25 | N26 | C27 | 0.3° | 0.0° |
| C22 | N24 | C25 | N26 | 0.4° | 0.0° |
| N24 | C22 | N23 | C21 | 180.0° | 180.0° |
| N24 | C22 | C21 | C27 | 0.0° | 0.0° |
| N24 | C22 | C21 | N20 | 180.0° | 180.0° |
| C22 | N24 | C25 | H15 | 179.7° | 180.0° |
| N24 | C22 | N23 | H37 | 0.0° | 0.0° |
| N24 | C22 | N23 | H38 | 120.0° | 179.9° |
| C25 | N26 | C27 | C21 | 0.0° | 0.0° |
| C25 | N26 | C27 | N18 | 179.7° | 180.0° |
| N23 | C22 | C21 | C27 | 180.0° | 180.0° |
| N23 | C22 | C21 | N20 | 0.0° | 0.0° |
| C22 | N23 | H37 | H38 | 120.0° | 179.9° |
| O08 | P06 | O09 | O07 | 119.8° | 120.0° |
| O08 | P06 | O09 | P10 | 17.3° | 45.0° |
| O08 | P06 | O07 | H42 | 0.0° | 180.0° |
| P06 | O09 | P10 | O11 | 84.1° | 40.0° |
| P06 | O09 | P10 | O13 | 155.7° | 160.0° |
| P06 | O09 | P10 | O12 | 35.7° | 80.0° |
| O09 | P06 | O07 | H42 | 119.4° | 60.0° |
| O07 | P06 | O09 | P10 | 102.5° | 75.0° |
| C22 | C21 | C27 | N26 | 0.1° | 0.0° |
| C22 | C21 | C27 | N20 | 180.0° | 180.0° |
| C22 | C21 | C27 | N18 | 179.9° | 180.0° |
| C22 | C21 | N20 | C19 | 179.9° | 180.0° |
| C21 | C22 | N23 | H37 | 180.0° | 180.0° |
| C21 | C22 | N23 | H38 | 60.0° | 0.0° |
| O11 | P10 | O09 | O13 | 120.2° | 120.0° |
| O11 | P10 | O09 | O12 | 119.7° | 120.0° |
| O11 | P10 | O13 | O12 | 119.7° | 119.9° |
| O11 | P10 | O13 | C14 | 165.2° | 55.0° |
| O11 | P10 | O12 | H43 | 0.0° | 180.0° |
| O09 | P10 | O13 | O12 | 120.1° | 120.0° |
| O09 | P10 | O13 | C14 | 74.6° | 175.0° |
| O09 | P10 | O12 | H43 | 119.7° | 60.0° |
| N26 | C27 | C21 | N18 | 179.8° | 180.0° |
| N26 | C27 | C21 | N20 | 179.9° | 180.0° |
| N26 | C27 | N18 | C19 | 179.9° | 180.0° |
| N26 | C27 | N18 | C17 | 0.3° | 0.0° |
| C27 | N26 | C25 | H15 | 179.7° | 180.0° |
| P10 | O13 | C14 | C15 | 141.7° | 180.0° |
| P10 | O13 | C14 | H12 | 21.8° | 60.0° |
| P10 | O13 | C14 | H13 | 98.3° | 60.0° |
| O13 | P10 | O12 | H43 | 119.7° | 60.0° |
| O12 | P10 | O13 | C14 | 45.6° | 65.0° |
| C27 | C21 | N20 | C19 | 0.0° | 0.0° |
| C21 | C27 | N18 | C19 | 0.2° | 0.0° |
| C21 | C27 | N18 | C17 | 179.9° | 180.0° |
| N20 | C21 | C27 | N18 | 0.1° | 0.0° |
| C21 | N20 | C19 | N18 | 0.1° | 0.0° |
| C21 | N20 | C19 | H14 | 179.9° | 179.9° |
| C27 | N18 | C19 | N20 | 0.2° | 0.0° |
| C27 | N18 | C19 | C17 | 179.8° | 180.0° |
| C27 | N18 | C17 | O16 | 42.1° | 158.6° |
| C27 | N18 | C17 | C28 | 73.3° | 87.1° |
| C27 | N18 | C17 | H2 | 164.0° | 35.7° |
| C27 | N18 | C19 | H14 | 179.8° | 179.9° |
| O13 | C14 | C15 | H12 | 120.0° | 120.0° |
| O13 | C14 | C15 | H13 | 120.0° | 119.9° |
| O13 | C14 | C15 | O16 | 53.8° | 66.9° |
| O13 | C14 | C15 | C30 | 64.0° | 175.0° |
| O13 | C14 | C15 | H1 | 173.6° | 54.0° |
| O13 | C14 | H12 | H13 | 120.1° | 120.0° |
| N20 | C19 | N18 | H14 | 180.0° | 179.9° |
| N20 | C19 | N18 | C17 | 179.9° | 180.0° |
| C19 | N18 | C17 | O16 | 138.2° | 21.4° |
| C19 | N18 | C17 | C28 | 106.4° | 92.8° |
| C19 | N18 | C17 | H2 | 16.3° | 144.3° |
| N18 | C17 | O16 | C28 | 120.8° | 118.6° |
| N18 | C17 | O16 | H2 | 122.4° | 122.9° |
| N18 | C17 | O16 | C15 | 157.1° | 158.4° |
| N18 | C17 | C28 | H2 | 121.5° | 122.8° |
| N18 | C17 | C28 | O29 | 73.1° | 86.3° |
| N18 | C17 | C28 | C30 | 168.3° | 155.5° |
| N18 | C17 | C28 | H3 | 51.9° | 37.3° |
| C17 | N18 | C19 | H14 | 0.0° | 0.0° |
| C14 | C15 | O16 | C17 | 130.7° | 145.9° |
| C14 | C15 | O16 | C30 | 120.3° | 119.6° |
| C14 | C15 | O16 | H1 | 119.9° | 121.0° |
| C14 | C15 | C30 | C28 | 106.5° | 121.6° |
| C14 | C15 | C30 | H1 | 120.6° | 121.0° |
| C14 | C15 | C30 | O31 | 135.0° | 119.7° |
| C15 | C14 | H12 | H13 | 120.1° | 120.0° |
| C14 | C15 | C30 | H16 | 11.5° | 2.9° |
| O16 | C17 | C28 | H2 | 114.6° | 118.6° |
| O16 | C17 | C28 | O29 | 163.0° | 155.2° |
| O16 | C17 | C28 | C30 | 44.4° | 37.0° |
| C17 | O16 | C15 | C30 | 10.4° | 26.3° |
| C17 | O16 | C15 | H1 | 109.5° | 93.1° |
| O16 | C17 | C28 | H3 | 72.0° | 81.2° |
| C15 | O16 | C17 | C28 | 36.3° | 39.9° |
| O16 | C15 | C30 | C28 | 14.9° | 1.9° |
| O16 | C15 | C30 | H1 | 117.9° | 119.3° |
| O16 | C15 | C30 | O31 | 103.5° | 120.6° |
| C15 | O16 | C17 | H2 | 80.4° | 78.7° |
| O16 | C15 | C14 | H12 | 173.8° | 173.0° |
| O16 | C15 | C14 | H13 | 66.1° | 53.0° |
| O16 | C15 | C30 | H16 | 133.0° | 116.8° |
| C17 | C28 | O29 | C30 | 113.8° | 112.7° |
| C17 | C28 | O29 | H3 | 125.9° | 123.6° |
| C17 | C28 | C30 | H3 | 119.2° | 118.2° |
| C17 | C28 | C30 | C15 | 40.3° | 20.9° |
| C17 | C28 | C30 | O31 | 77.6° | 97.8° |
| C17 | C28 | C30 | H16 | 160.9° | 139.7° |
| C17 | C28 | O29 | H44 | 129.1° | 61.5° |
| O29 | C28 | C30 | H3 | 121.6° | 123.6° |
| O29 | C28 | C30 | C15 | 159.5° | 139.1° |
| O29 | C28 | C30 | O31 | 41.6° | 20.4° |
| O29 | C28 | C17 | H2 | 48.4° | 36.6° |
| O29 | C28 | C30 | H16 | 80.0° | 102.1° |
| C28 | C30 | C15 | O31 | 118.4° | 118.7° |
| C28 | C30 | C15 | H16 | 118.0° | 118.7° |
| C28 | C30 | O31 | H16 | 120.1° | 122.5° |
| C28 | C30 | O31 | P32 | 90.1° | 121.5° |
| C28 | C30 | C15 | H1 | 132.9° | 117.4° |
| C30 | C28 | C17 | H2 | 70.2° | 81.6° |
| C30 | C28 | O29 | H44 | 15.3° | 174.2° |
| C15 | C30 | O31 | H16 | 124.3° | 122.7° |
| C15 | C30 | O31 | P32 | 154.3° | 123.8° |
| C15 | C30 | C28 | H3 | 78.8° | 97.3° |
| C30 | C15 | C14 | H12 | 56.0° | 55.0° |
| C30 | C15 | C14 | H13 | 176.0° | 65.1° |
| C30 | O31 | P32 | O34 | 40.7° | 55.0° |
| C30 | O31 | P32 | O33 | 79.7° | 175.0° |
| C30 | O31 | P32 | O35 | 160.7° | 65.0° |
| O31 | C30 | C15 | H1 | 14.4° | 1.2° |
| O31 | C30 | C28 | H3 | 163.3° | 144.0° |
| O34 | P32 | O31 | O33 | 120.4° | 120.0° |
| O34 | P32 | O31 | O35 | 119.9° | 120.0° |
| O34 | P32 | O33 | O35 | 120.0° | 119.9° |
| O34 | P32 | O33 | H45 | 0.0° | 60.0° |
| O34 | P32 | O35 | H46 | 0.0° | 180.0° |
| O31 | P32 | O33 | O35 | 119.6° | 120.0° |
| P32 | O31 | C30 | H16 | 30.0° | 1.0° |
| O31 | P32 | O33 | H45 | 120.4° | 180.0° |
| O31 | P32 | O35 | H46 | 119.9° | 60.0° |
| O33 | P32 | O35 | H46 | 120.1° | 60.0° |
| O35 | P32 | O33 | H45 | 120.0° | 60.0° |
| H1 | C15 | C14 | H12 | 66.4° | 66.0° |
| H1 | C15 | C14 | H13 | 53.7° | 174.0° |
| H1 | C15 | C30 | H16 | 109.1° | 123.9° |
| H2 | C17 | C28 | H3 | 173.4° | 160.2° |
| H3 | C28 | C30 | H16 | 41.7° | 21.5° |
| H3 | C28 | O29 | H44 | 105.0° | 62.2° |
| H4 | C01 | H5 | H6 | 120.0° | 119.9° |
| H7 | C03 | H8 | H9 | 120.0° | 120.1° |
| H17 | C36 | O37 | H47 | 63.1° | 180.0° |
| H18 | C41 | C42 | H20 | 57.1° | 180.0° |
| H18 | C41 | C42 | H21 | 60.3° | 60.0° |
| H18 | C41 | N40 | H39 | 134.1° | 120.0° |
| H19 | C41 | C42 | H20 | 176.0° | 60.0° |
| H19 | C41 | C42 | H21 | 58.6° | 179.9° |
| H19 | C41 | N40 | H39 | 15.2° | 120.0° |
| H22 | C46 | C47 | H24 | 179.5° | 180.0° |
| H22 | C46 | C47 | H25 | 59.5° | 60.0° |
| H22 | C46 | N45 | H40 | 146.9° | 120.0° |
| H23 | C46 | C47 | H24 | 60.3° | 60.0° |
| H23 | C46 | C47 | H25 | 179.7° | 180.0° |
| H23 | C46 | N45 | H40 | 26.7° | 120.0° |
| H26 | C51 | C52 | H28 | 125.7° | 180.0° |
| H26 | C51 | C52 | H29 | 115.1° | 60.0° |
| H27 | C51 | C52 | H28 | 6.2° | 59.9° |
| H27 | C51 | C52 | H29 | 125.4° | 179.9° |
| H28 | C52 | C53 | H30 | 106.2° | 180.0° |
| H28 | C52 | C53 | H31 | 134.1° | 60.0° |
| H29 | C52 | C53 | H30 | 13.1° | 59.9° |
| H29 | C52 | C53 | H31 | 106.6° | 179.9° |
| H32 | C55 | N56 | H41 | 0.2° | 0.3° |
| H33 | C58 | C59 | H34 | 0.1° | 0.2° |
| H34 | C59 | C60 | H35 | 0.1° | 0.0° |
| H35 | C60 | C61 | H36 | 0.1° | 0.1° |
