OLS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O04 | C13 | doub | 1.24Å | 1.26Å | |
| C13 | N03 | sing | 1.35Å | 1.30Å | |
| C13 | N02 | sing | 1.35Å | 1.29Å | |
| N03 | C11 | sing | 1.45Å | 1.45Å | |
| C11 | C10 | sing | 1.53Å | 1.58Å | |
| C11 | C12 | sing | 1.55Å | 1.60Å | |
| C10 | S01 | sing | 1.79Å | 1.78Å | |
| S01 | C09 | sing | 1.82Å | 1.76Å | |
| N02 | C12 | sing | 1.45Å | 1.46Å | |
| C12 | C09 | sing | 1.57Å | 1.52Å | |
| C09 | C08 | sing | 1.53Å | 1.54Å | |
| C08 | C07 | sing | 1.53Å | 1.51Å | |
| C07 | C06 | sing | 1.54Å | 1.54Å | |
| C06 | C05 | sing | 1.53Å | 1.54Å | |
| C05 | C01 | sing | 1.51Å | 1.52Å | |
| C01 | O01 | doub | 1.24Å | 1.28Å | |
| C01 | N01 | sing | 1.35Å | 1.33Å | |
| N01 | C02 | sing | 1.46Å | 1.45Å | |
| C02 | C37 | sing | 1.52Å | 1.49Å | |
| C37 | C04 | sing | 1.51Å | 1.46Å | |
| C04 | O14 | sing | 1.25Å | 1.30Å | |
| C04 | O03 | doub | 1.25Å | 1.34Å | |
| O14 | CO2 | sing | 2.10Å | 2.12Å | |
| O03 | CO4 | sing | 2.08Å | 1.99Å | |
| CO4 | O05 | sing | 2.06Å | 1.85Å | |
| CO4 | O07 | sing | 2.10Å | 2.15Å | |
| CO4 | N07 | sing | 2.17Å | 2.27Å | |
| CO4 | O12 | sing | 2.19Å | 2.03Å | |
| CO4 | O15 | sing | 2.08Å | 2.27Å | |
| O05 | CO1 | sing | 2.08Å | 2.11Å | |
| O05 | CO2 | sing | 2.12Å | 2.20Å | |
| O07 | CO1 | sing | 2.10Å | 1.91Å | |
| O07 | CO3 | sing | 2.02Å | 1.98Å | |
| N07 | C44 | doub | 1.34Å | 1.34Å | Aromatic |
| N07 | C40 | sing | 1.34Å | 1.39Å | Aromatic |
| C44 | C43 | sing | 1.37Å | 1.42Å | Aromatic |
| C43 | C42 | doub | 1.36Å | 1.41Å | Aromatic |
| C42 | C41 | sing | 1.36Å | 1.35Å | Aromatic |
| C41 | C40 | doub | 1.37Å | 1.34Å | Aromatic |
| CO1 | N04 | sing | 2.14Å | 2.36Å | |
| CO1 | O10 | sing | 2.08Å | 2.31Å | |
| CO1 | O06 | sing | 2.15Å | 1.91Å | |
| CO1 | O08 | sing | 2.08Å | 1.82Å | |
| N04 | C22 | doub | 1.34Å | 1.37Å | Aromatic |
| N04 | C18 | sing | 1.34Å | 1.38Å | Aromatic |
| C22 | C21 | sing | 1.37Å | 1.41Å | Aromatic |
| C21 | C20 | doub | 1.36Å | 1.42Å | Aromatic |
| C20 | C19 | sing | 1.36Å | 1.31Å | Aromatic |
| C19 | C18 | doub | 1.37Å | 1.31Å | Aromatic |
| O12 | CO3 | sing | 1.99Å | 1.94Å | |
| O12 | CO2 | sing | 2.08Å | 1.68Å | |
| CO3 | N06 | sing | 2.04Å | 2.19Å | |
| CO3 | O06 | sing | 2.02Å | 2.03Å | |
| N06 | C34 | doub | 1.34Å | 1.38Å | Aromatic |
| N06 | C28 | sing | 1.34Å | 1.35Å | Aromatic |
| C34 | C35 | sing | 1.37Å | 1.32Å | Aromatic |
| C35 | C30 | doub | 1.36Å | 1.31Å | Aromatic |
| C30 | C29 | sing | 1.36Å | 1.42Å | Aromatic |
| C29 | C28 | doub | 1.37Å | 1.41Å | Aromatic |
| O06 | CO2 | sing | 2.09Å | 2.06Å | |
| CO2 | O09 | sing | 2.08Å | 1.99Å | |
| CO2 | N05 | sing | 2.12Å | 2.13Å | |
| N05 | C32 | doub | 1.34Å | 1.38Å | Aromatic |
| N05 | C24 | sing | 1.34Å | 1.36Å | Aromatic |
| C32 | C33 | sing | 1.37Å | 1.43Å | Aromatic |
| C33 | C26 | doub | 1.36Å | 1.42Å | Aromatic |
| C26 | C25 | sing | 1.36Å | 1.43Å | Aromatic |
| C25 | C24 | doub | 1.37Å | 1.41Å | Aromatic |
| N03 | H1 | sing | 0.86Å | 1.00Å | |
| C11 | H2 | sing | 0.99Å | 1.10Å | |
| C10 | H3 | sing | 0.99Å | 1.10Å | |
| C10 | H4 | sing | 0.99Å | 1.10Å | |
| N02 | H5 | sing | 0.86Å | 1.00Å | |
| C12 | H6 | sing | 0.99Å | 1.10Å | |
| C09 | H7 | sing | 1.00Å | 1.10Å | |
| C08 | H8 | sing | 0.98Å | 1.10Å | |
| C08 | H9 | sing | 0.98Å | 1.10Å | |
| C07 | H10 | sing | 0.98Å | 1.10Å | |
| C07 | H11 | sing | 0.98Å | 1.10Å | |
| C06 | H12 | sing | 0.98Å | 1.10Å | |
| C06 | H13 | sing | 0.98Å | 1.10Å | |
| C05 | H14 | sing | 0.98Å | 1.10Å | |
| C05 | H15 | sing | 0.98Å | 1.10Å | |
| N01 | H16 | sing | 0.88Å | 1.00Å | |
| C02 | H17 | sing | 0.98Å | 1.10Å | |
| C02 | H18 | sing | 0.98Å | 1.10Å | |
| C37 | H19 | sing | 0.98Å | 1.10Å | |
| C37 | H20 | sing | 0.98Å | 1.10Å | |
| C44 | H22 | sing | 0.94Å | 1.08Å | |
| C43 | H23 | sing | 0.94Å | 1.08Å | |
| C42 | H24 | sing | 0.94Å | 1.08Å | |
| C41 | H25 | sing | 0.94Å | 1.08Å | |
| C40 | H26 | sing | 0.94Å | 1.08Å | |
| C22 | H27 | sing | 0.94Å | 1.08Å | |
| C21 | H28 | sing | 0.94Å | 1.08Å | |
| C20 | H29 | sing | 0.94Å | 1.08Å | |
| C19 | H30 | sing | 0.94Å | 1.08Å | |
| C18 | H31 | sing | 0.94Å | 1.08Å | |
| C34 | H32 | sing | 0.94Å | 1.08Å | |
| C35 | H33 | sing | 0.94Å | 1.08Å | |
| C30 | H34 | sing | 0.94Å | 1.08Å | |
| C29 | H35 | sing | 0.94Å | 1.08Å | |
| C28 | H36 | sing | 0.94Å | 1.08Å | |
| C32 | H41 | sing | 0.94Å | 1.08Å | |
| C33 | H42 | sing | 0.94Å | 1.08Å | |
| C26 | H43 | sing | 0.94Å | 1.08Å | |
| C25 | H44 | sing | 0.94Å | 1.08Å | |
| C24 | H45 | sing | 0.94Å | 1.08Å | |
| H21 | O08 | sing | 0.86Å | 0.95Å | |
| H37 | O08 | sing | 0.86Å | 0.95Å | |
| H38 | O09 | sing | 0.86Å | 0.95Å | |
| H39 | O09 | sing | 0.86Å | 0.95Å | |
| H40 | O10 | sing | 0.86Å | 0.95Å | |
| H46 | O10 | sing | 0.86Å | 0.95Å | |
| H47 | O15 | sing | 0.86Å | 0.95Å | |
| H48 | O15 | sing | 0.86Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O04 | C13 | N03 | 120.8° | 126.0° |
| O04 | C13 | N02 | 124.5° | 126.0° |
| N03 | C13 | N02 | 114.7° | 108.0° |
| C13 | N03 | C11 | 109.9° | 113.3° |
| C13 | N03 | H1 | 125.0° | 122.2° |
| C13 | N02 | C12 | 112.0° | 113.6° |
| C13 | N02 | H5 | 124.0° | 121.5° |
| N03 | C11 | C10 | 111.4° | 113.1° |
| N03 | C11 | C12 | 103.2° | 102.6° |
| C11 | N03 | H1 | 125.0° | 124.5° |
| N03 | C11 | H2 | 114.3° | 110.2° |
| C10 | C11 | C12 | 102.7° | 109.4° |
| C11 | C10 | S01 | 107.3° | 106.6° |
| C10 | C11 | H2 | 112.2° | 110.6° |
| C11 | C10 | H3 | 110.0° | 110.5° |
| C11 | C10 | H4 | 110.0° | 110.4° |
| C11 | C12 | N02 | 99.9° | 102.1° |
| C11 | C12 | C09 | 111.3° | 108.0° |
| C12 | C11 | H2 | 112.0° | 110.7° |
| C11 | C12 | H6 | 109.3° | 110.2° |
| C10 | S01 | C09 | 90.0° | 90.2° |
| S01 | C10 | H3 | 110.0° | 110.5° |
| S01 | C10 | H4 | 110.0° | 110.4° |
| S01 | C09 | C12 | 105.1° | 102.7° |
| S01 | C09 | C08 | 118.9° | 112.3° |
| S01 | C09 | H7 | 105.3° | 107.7° |
| N02 | C12 | C09 | 114.6° | 116.4° |
| C12 | N02 | H5 | 124.0° | 124.9° |
| N02 | C12 | H6 | 111.1° | 109.6° |
| C12 | C09 | C08 | 111.7° | 118.7° |
| C09 | C12 | H6 | 110.2° | 110.1° |
| C12 | C09 | H7 | 107.7° | 107.4° |
| C09 | C08 | C07 | 109.3° | 116.5° |
| C08 | C09 | H7 | 107.5° | 107.5° |
| C09 | C08 | H8 | 109.5° | 108.3° |
| C09 | C08 | H9 | 109.5° | 108.1° |
| C08 | C07 | C06 | 110.6° | 114.6° |
| C07 | C08 | H8 | 109.5° | 108.3° |
| C07 | C08 | H9 | 109.5° | 108.2° |
| C08 | C07 | H10 | 109.2° | 108.8° |
| C08 | C07 | H11 | 109.2° | 109.1° |
| C07 | C06 | C05 | 113.0° | 116.4° |
| C06 | C07 | H10 | 109.2° | 108.4° |
| C06 | C07 | H11 | 109.2° | 108.4° |
| C07 | C06 | H12 | 108.6° | 108.2° |
| C07 | C06 | H13 | 108.6° | 108.2° |
| C06 | C05 | C01 | 110.5° | 113.4° |
| C05 | C06 | H12 | 108.6° | 108.4° |
| C05 | C06 | H13 | 108.6° | 108.3° |
| C06 | C05 | H14 | 109.2° | 108.6° |
| C06 | C05 | H15 | 109.2° | 109.4° |
| C05 | C01 | O01 | 119.7° | 120.2° |
| C05 | C01 | N01 | 114.7° | 118.0° |
| C01 | C05 | H14 | 109.2° | 108.5° |
| C01 | C05 | H15 | 109.2° | 109.3° |
| O01 | C01 | N01 | 125.7° | 121.8° |
| C01 | N01 | C02 | 119.6° | 127.2° |
| C01 | N01 | H16 | 120.2° | 118.5° |
| N01 | C02 | C37 | 106.6° | 112.3° |
| C02 | N01 | H16 | 120.2° | 114.3° |
| N01 | C02 | H17 | 110.2° | 109.0° |
| N01 | C02 | H18 | 110.2° | 109.2° |
| C02 | C37 | C04 | 107.7° | 114.8° |
| C37 | C02 | H17 | 110.2° | 109.1° |
| C37 | C02 | H18 | 110.2° | 109.3° |
| C02 | C37 | H19 | 109.9° | 108.9° |
| C02 | C37 | H20 | 109.9° | 108.9° |
| C37 | C04 | O14 | 109.2° | 118.0° |
| C37 | C04 | O03 | 118.8° | 117.7° |
| C04 | C37 | H19 | 109.9° | 108.4° |
| C04 | C37 | H20 | 109.9° | 108.1° |
| O14 | C04 | O03 | 131.5° | 124.3° |
| C04 | O14 | CO2 | 116.3° | 117.5° |
| C04 | O03 | CO4 | 120.4° | 118.6° |
| O14 | CO2 | O05 | 87.4° | 95.7° |
| O14 | CO2 | O12 | 92.0° | 81.4° |
| O14 | CO2 | O06 | 174.7° | 174.6° |
| O14 | CO2 | O09 | 85.6° | 92.1° |
| O14 | CO2 | N05 | 88.3° | 92.2° |
| O03 | CO4 | O05 | 89.1° | 75.3° |
| O03 | CO4 | O07 | 173.3° | 163.6° |
| O03 | CO4 | N07 | 92.1° | 91.5° |
| O03 | CO4 | O12 | 91.0° | 92.3° |
| O03 | CO4 | O15 | 88.1° | 96.8° |
| O05 | CO4 | O07 | 85.3° | 88.3° |
| O05 | CO4 | N07 | 85.5° | 97.4° |
| O05 | CO4 | O12 | 91.8° | 95.2° |
| O05 | CO4 | O15 | 176.1° | 171.4° |
| CO4 | O05 | CO1 | 94.9° | 92.8° |
| CO4 | O05 | CO2 | 83.4° | 84.7° |
| O07 | CO4 | N07 | 91.1° | 90.7° |
| O07 | CO4 | O12 | 85.6° | 89.0° |
| O07 | CO4 | O15 | 97.6° | 99.6° |
| CO4 | O07 | CO1 | 92.1° | 91.1° |
| CO4 | O07 | CO3 | 86.0° | 87.0° |
| N07 | CO4 | O12 | 175.9° | 167.5° |
| N07 | CO4 | O15 | 91.8° | 86.0° |
| CO4 | N07 | C44 | 106.2° | 123.6° |
| CO4 | N07 | C40 | 130.7° | 119.7° |
| O12 | CO4 | O15 | 91.1° | 81.7° |
| CO4 | O12 | CO3 | 90.4° | 85.2° |
| CO4 | O12 | CO2 | 93.2° | 82.5° |
| CO4 | O15 | H47 | 109.5° | 109.5° |
| CO4 | O15 | H48 | 109.5° | 109.5° |
| CO1 | O05 | CO2 | 79.7° | 94.7° |
| O05 | CO1 | O07 | 85.2° | 87.9° |
| O05 | CO1 | N04 | 84.2° | 91.4° |
| O05 | CO1 | O10 | 169.0° | 171.2° |
| O05 | CO1 | O06 | 99.2° | 85.3° |
| O05 | CO1 | O08 | 91.6° | 89.1° |
| O05 | CO2 | O12 | 91.1° | 96.8° |
| O05 | CO2 | O06 | 92.0° | 85.7° |
| O05 | CO2 | O09 | 89.8° | 85.0° |
| O05 | CO2 | N05 | 174.7° | 169.6° |
| CO1 | O07 | CO3 | 95.8° | 84.5° |
| O07 | CO1 | N04 | 95.1° | 95.1° |
| O07 | CO1 | O10 | 84.8° | 91.2° |
| O07 | CO1 | O06 | 87.7° | 92.9° |
| O07 | CO1 | O08 | 173.4° | 175.5° |
| O07 | CO3 | O12 | 93.1° | 97.0° |
| O07 | CO3 | N06 | 178.5° | 157.3° |
| O07 | CO3 | O06 | 82.5° | 99.4° |
| C44 | N07 | C40 | 123.0° | 116.5° |
| N07 | C44 | C43 | 116.9° | 123.3° |
| N07 | C44 | H22 | 121.5° | 118.3° |
| N07 | C40 | C41 | 116.4° | 123.4° |
| N07 | C40 | H26 | 121.8° | 118.2° |
| C44 | C43 | C42 | 122.6° | 118.8° |
| C43 | C44 | H22 | 121.5° | 118.4° |
| C44 | C43 | H23 | 118.7° | 120.5° |
| C43 | C42 | C41 | 114.0° | 119.3° |
| C42 | C43 | H23 | 118.7° | 120.7° |
| C43 | C42 | H24 | 123.0° | 120.3° |
| C42 | C41 | C40 | 127.1° | 118.8° |
| C41 | C42 | H24 | 123.0° | 120.4° |
| C42 | C41 | H25 | 116.5° | 120.7° |
| C40 | C41 | H25 | 116.4° | 120.5° |
| C41 | C40 | H26 | 121.8° | 118.5° |
| N04 | CO1 | O10 | 92.0° | 97.5° |
| N04 | CO1 | O06 | 175.7° | 171.1° |
| N04 | CO1 | O08 | 90.3° | 88.2° |
| CO1 | N04 | C22 | 106.4° | 122.7° |
| CO1 | N04 | C18 | 130.7° | 120.6° |
| O10 | CO1 | O06 | 85.1° | 86.0° |
| O10 | CO1 | O08 | 98.8° | 91.3° |
| CO1 | O10 | H40 | 109.5° | 109.5° |
| CO1 | O10 | H46 | 109.4° | 110.3° |
| O06 | CO1 | O08 | 87.1° | 83.6° |
| CO1 | O06 | CO3 | 93.8° | 83.1° |
| CO1 | O06 | CO2 | 87.9° | 93.3° |
| CO1 | O08 | H21 | 109.5° | 109.5° |
| CO1 | O08 | H37 | 109.5° | 109.5° |
| C22 | N04 | C18 | 122.7° | 116.7° |
| N04 | C22 | C21 | 115.2° | 123.2° |
| N04 | C22 | H27 | 122.4° | 118.2° |
| N04 | C18 | C19 | 121.2° | 123.3° |
| N04 | C18 | H31 | 119.4° | 118.1° |
| C22 | C21 | C20 | 118.8° | 118.8° |
| C21 | C22 | H27 | 122.4° | 118.6° |
| C22 | C21 | H28 | 120.6° | 120.5° |
| C21 | C20 | C19 | 122.3° | 119.3° |
| C20 | C21 | H28 | 120.6° | 120.7° |
| C21 | C20 | H29 | 118.8° | 120.4° |
| C20 | C19 | C18 | 119.6° | 118.7° |
| C19 | C20 | H29 | 118.9° | 120.3° |
| C20 | C19 | H30 | 120.2° | 120.7° |
| C18 | C19 | H30 | 120.2° | 120.6° |
| C19 | C18 | H31 | 119.4° | 118.6° |
| CO3 | O12 | CO2 | 107.8° | 84.4° |
| O12 | CO3 | N06 | 87.3° | 99.0° |
| O12 | CO3 | O06 | 77.6° | 98.0° |
| O12 | CO2 | O06 | 82.8° | 93.2° |
| O12 | CO2 | O09 | 177.4° | 173.3° |
| O12 | CO2 | N05 | 92.1° | 91.1° |
| N06 | CO3 | O06 | 96.1° | 94.3° |
| CO3 | N06 | C34 | 116.0° | 121.5° |
| CO3 | N06 | C28 | 121.5° | 121.8° |
| CO3 | O06 | CO2 | 91.3° | 83.5° |
| C34 | N06 | C28 | 122.5° | 116.7° |
| N06 | C34 | C35 | 121.1° | 123.3° |
| N06 | C34 | H32 | 119.4° | 118.1° |
| N06 | C28 | C29 | 115.8° | 123.2° |
| N06 | C28 | H36 | 122.1° | 118.1° |
| C34 | C35 | C30 | 120.3° | 118.7° |
| C35 | C34 | H32 | 119.4° | 118.6° |
| C34 | C35 | H33 | 119.9° | 120.6° |
| C35 | C30 | C29 | 121.3° | 119.3° |
| C30 | C35 | H33 | 119.8° | 120.8° |
| C35 | C30 | H34 | 119.4° | 120.3° |
| C30 | C29 | C28 | 118.9° | 118.7° |
| C29 | C30 | H34 | 119.3° | 120.4° |
| C30 | C29 | H35 | 120.5° | 120.7° |
| C28 | C29 | H35 | 120.5° | 120.5° |
| C29 | C28 | H36 | 122.1° | 118.7° |
| O06 | CO2 | O09 | 99.6° | 93.3° |
| O06 | CO2 | N05 | 92.6° | 87.1° |
| O09 | CO2 | N05 | 86.8° | 87.9° |
| CO2 | O09 | H38 | 109.5° | 109.5° |
| CO2 | O09 | H39 | 109.4° | 109.4° |
| CO2 | N05 | C32 | 113.6° | 122.5° |
| CO2 | N05 | C24 | 122.2° | 120.7° |
| C32 | N05 | C24 | 124.2° | 116.8° |
| N05 | C32 | C33 | 118.7° | 123.2° |
| N05 | C32 | H41 | 120.6° | 118.2° |
| N05 | C24 | C25 | 118.3° | 123.2° |
| N05 | C24 | H45 | 120.9° | 118.2° |
| C32 | C33 | C26 | 119.0° | 118.7° |
| C33 | C32 | H41 | 120.6° | 118.6° |
| C32 | C33 | H42 | 120.6° | 120.6° |
| C33 | C26 | C25 | 119.6° | 119.4° |
| C26 | C33 | H42 | 120.5° | 120.7° |
| C33 | C26 | H43 | 120.2° | 120.3° |
| C26 | C25 | C24 | 120.2° | 118.7° |
| C25 | C26 | H43 | 120.2° | 120.3° |
| C26 | C25 | H44 | 119.9° | 120.7° |
| C24 | C25 | H44 | 119.9° | 120.6° |
| C25 | C24 | H45 | 120.9° | 118.6° |
| H3 | C10 | H4 | 109.4° | 108.5° |
| H8 | C08 | H9 | 109.5° | 107.2° |
| H10 | C07 | H11 | 109.4° | 107.2° |
| H12 | C06 | H13 | 109.5° | 106.9° |
| H14 | C05 | H15 | 109.5° | 107.5° |
| H17 | C02 | H18 | 109.5° | 107.8° |
| H19 | C37 | H20 | 109.5° | 107.5° |
| H21 | O08 | H37 | 109.5° | 107.4° |
| H38 | O09 | H39 | 109.4° | 107.3° |
| H40 | O10 | H46 | 109.4° | 107.6° |
| H47 | O15 | H48 | 109.4° | 107.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O04 | C13 | N03 | N02 | 179.1° | 179.8° |
| O04 | C13 | N03 | C11 | 178.5° | 177.7° |
| O04 | C13 | N02 | C12 | 178.1° | 178.2° |
| O04 | C13 | N03 | H1 | 1.5° | 2.3° |
| O04 | C13 | N02 | H5 | 1.8° | 0.8° |
| C13 | N03 | C11 | H1 | 180.0° | 180.0° |
| C13 | N03 | C11 | C10 | 113.8° | 112.6° |
| C13 | N03 | C11 | C12 | 4.2° | 5.2° |
| N03 | C13 | N02 | C12 | 1.0° | 1.6° |
| C13 | N03 | C11 | H2 | 117.7° | 123.1° |
| N03 | C13 | N02 | H5 | 179.1° | 179.4° |
| N02 | C13 | N03 | C11 | 2.3° | 2.6° |
| C13 | N02 | C12 | C11 | 3.4° | 4.6° |
| C13 | N02 | C12 | H5 | 180.0° | 179.0° |
| C13 | N02 | C12 | C09 | 115.6° | 121.9° |
| N02 | C13 | N03 | H1 | 177.7° | 177.5° |
| C13 | N02 | C12 | H6 | 118.6° | 112.3° |
| N03 | C11 | C10 | C12 | 109.9° | 113.7° |
| N03 | C11 | C10 | H2 | 129.6° | 124.1° |
| N03 | C11 | C12 | H2 | 123.5° | 117.5° |
| N03 | C11 | C10 | S01 | 80.0° | 89.6° |
| N03 | C11 | C12 | N02 | 4.3° | 5.4° |
| N03 | C11 | C12 | C09 | 117.1° | 128.7° |
| N03 | C11 | C10 | H3 | 160.3° | 30.4° |
| N03 | C11 | C10 | H4 | 39.6° | 150.5° |
| N03 | C11 | C12 | H6 | 121.0° | 111.0° |
| C10 | C11 | C12 | H2 | 120.6° | 122.1° |
| C11 | C10 | S01 | H3 | 119.7° | 120.0° |
| C11 | C10 | S01 | H4 | 119.7° | 119.9° |
| C11 | C10 | S01 | C09 | 44.2° | 40.6° |
| C10 | C11 | C12 | N02 | 120.3° | 114.9° |
| C10 | C11 | C12 | C09 | 1.2° | 8.4° |
| C10 | C11 | N03 | H1 | 66.2° | 67.4° |
| C11 | C10 | H3 | H4 | 121.0° | 121.2° |
| C10 | C11 | C12 | H6 | 123.1° | 128.7° |
| C12 | C11 | C10 | S01 | 29.9° | 24.1° |
| C11 | C12 | C09 | S01 | 31.8° | 36.2° |
| C11 | C12 | N02 | C09 | 119.0° | 117.4° |
| C11 | C12 | N02 | H6 | 115.3° | 116.8° |
| C11 | C12 | C09 | H6 | 121.4° | 120.4° |
| C11 | C12 | C09 | C08 | 162.1° | 160.7° |
| C12 | C11 | N03 | H1 | 175.8° | 174.9° |
| C12 | C11 | C10 | H3 | 89.8° | 144.1° |
| C12 | C11 | C10 | H4 | 149.5° | 95.8° |
| C11 | C12 | N02 | H5 | 176.7° | 176.5° |
| C11 | C12 | C09 | H7 | 80.1° | 77.2° |
| C10 | S01 | C09 | C12 | 43.5° | 44.2° |
| C10 | S01 | C09 | C08 | 169.4° | 172.9° |
| S01 | C10 | C11 | H2 | 150.3° | 146.3° |
| S01 | C10 | H3 | H4 | 120.9° | 121.2° |
| C10 | S01 | C09 | H7 | 70.1° | 69.0° |
| S01 | C09 | C12 | N02 | 80.6° | 77.9° |
| S01 | C09 | C12 | C08 | 130.3° | 124.5° |
| S01 | C09 | C12 | H7 | 111.9° | 113.4° |
| S01 | C09 | C08 | H7 | 119.3° | 118.3° |
| S01 | C09 | C08 | C07 | 71.2° | 76.7° |
| C09 | S01 | C10 | H3 | 75.5° | 160.6° |
| C09 | S01 | C10 | H4 | 163.8° | 79.3° |
| S01 | C09 | C12 | H6 | 153.2° | 156.6° |
| S01 | C09 | C08 | H8 | 48.8° | 161.1° |
| S01 | C09 | C08 | H9 | 168.9° | 45.3° |
| N02 | C12 | C09 | H6 | 126.2° | 125.5° |
| N02 | C12 | C09 | C08 | 49.7° | 46.6° |
| N02 | C12 | C11 | H2 | 119.2° | 123.0° |
| N02 | C12 | C09 | H7 | 167.5° | 168.7° |
| C12 | C09 | C08 | H7 | 118.0° | 122.1° |
| C12 | C09 | C08 | C07 | 166.1° | 163.7° |
| C09 | C12 | C11 | H2 | 119.4° | 113.8° |
| C09 | C12 | N02 | H5 | 64.3° | 59.1° |
| C12 | C09 | C08 | H8 | 74.0° | 41.4° |
| C12 | C09 | C08 | H9 | 46.2° | 74.3° |
| C09 | C08 | C07 | H8 | 120.0° | 122.2° |
| C09 | C08 | C07 | H9 | 120.0° | 122.0° |
| C09 | C08 | C07 | C06 | 177.3° | 172.8° |
| C08 | C09 | C12 | H6 | 76.5° | 79.0° |
| C09 | C08 | H8 | H9 | 120.1° | 116.4° |
| C09 | C08 | C07 | H10 | 62.5° | 65.6° |
| C09 | C08 | C07 | H11 | 57.1° | 51.1° |
| C08 | C07 | C06 | H10 | 120.2° | 121.8° |
| C08 | C07 | C06 | H11 | 120.2° | 122.1° |
| C08 | C07 | C06 | C05 | 179.0° | 179.9° |
| C07 | C08 | C09 | H7 | 48.1° | 41.6° |
| C07 | C08 | H8 | H9 | 120.1° | 116.5° |
| C08 | C07 | H10 | H11 | 119.5° | 117.8° |
| C08 | C07 | C06 | H12 | 60.5° | 57.8° |
| C08 | C07 | C06 | H13 | 58.4° | 57.7° |
| C07 | C06 | C05 | H12 | 120.5° | 122.2° |
| C07 | C06 | C05 | H13 | 120.5° | 122.1° |
| C07 | C06 | C05 | C01 | 68.3° | 81.8° |
| C06 | C07 | C08 | H8 | 57.4° | 50.6° |
| C06 | C07 | C08 | H9 | 62.7° | 65.2° |
| C06 | C07 | H10 | H11 | 119.5° | 116.9° |
| C07 | C06 | H12 | H13 | 118.4° | 116.4° |
| C07 | C06 | C05 | H14 | 51.8° | 157.5° |
| C07 | C06 | C05 | H15 | 171.5° | 40.5° |
| C06 | C05 | C01 | H14 | 120.2° | 120.8° |
| C06 | C05 | C01 | H15 | 120.1° | 122.3° |
| C06 | C05 | C01 | O01 | 41.6° | 84.4° |
| C06 | C05 | C01 | N01 | 139.1° | 95.5° |
| C05 | C06 | C07 | H10 | 58.8° | 58.0° |
| C05 | C06 | C07 | H11 | 60.9° | 58.0° |
| C05 | C06 | H12 | H13 | 118.4° | 116.6° |
| C06 | C05 | H14 | H15 | 119.5° | 118.2° |
| C05 | C01 | O01 | N01 | 179.2° | 180.0° |
| C05 | C01 | N01 | C02 | 178.0° | 176.6° |
| C01 | C05 | C06 | H12 | 171.1° | 40.4° |
| C01 | C05 | C06 | H13 | 52.2° | 156.1° |
| C01 | C05 | H14 | H15 | 119.6° | 118.0° |
| C05 | C01 | N01 | H16 | 2.0° | 4.0° |
| O01 | C01 | N01 | C02 | 2.7° | 3.4° |
| O01 | C01 | C05 | H14 | 161.8° | 36.4° |
| O01 | C01 | C05 | H15 | 78.5° | 153.3° |
| O01 | C01 | N01 | H16 | 177.3° | 176.0° |
| C01 | N01 | C02 | H16 | 180.0° | 179.4° |
| C01 | N01 | C02 | C37 | 88.8° | 82.9° |
| N01 | C01 | C05 | H14 | 18.9° | 143.7° |
| N01 | C01 | C05 | H15 | 100.8° | 26.7° |
| C01 | N01 | C02 | H17 | 30.7° | 156.1° |
| C01 | N01 | C02 | H18 | 151.6° | 38.5° |
| N01 | C02 | C37 | H17 | 119.5° | 121.0° |
| N01 | C02 | C37 | H18 | 119.6° | 121.3° |
| N01 | C02 | C37 | C04 | 164.0° | 172.8° |
| N01 | C02 | H17 | H18 | 121.3° | 118.4° |
| N01 | C02 | C37 | H19 | 76.3° | 51.1° |
| N01 | C02 | C37 | H20 | 44.2° | 65.8° |
| C02 | C37 | C04 | H19 | 119.7° | 122.0° |
| C02 | C37 | C04 | H20 | 119.7° | 121.8° |
| C02 | C37 | C04 | O14 | 173.7° | 110.5° |
| C02 | C37 | C04 | O03 | 1.0° | 71.2° |
| C37 | C02 | N01 | H16 | 91.2° | 97.7° |
| C37 | C02 | H17 | H18 | 121.3° | 118.6° |
| C02 | C37 | H19 | H20 | 120.8° | 117.8° |
| C37 | C04 | O14 | O03 | 171.5° | 178.1° |
| C37 | C04 | O14 | CO2 | 175.6° | 161.3° |
| C37 | C04 | O03 | CO4 | 175.6° | 128.0° |
| C04 | C37 | C02 | H17 | 44.4° | 66.2° |
| C04 | C37 | C02 | H18 | 76.5° | 51.5° |
| C04 | C37 | H19 | H20 | 120.8° | 116.7° |
| O14 | C04 | O03 | CO4 | 4.8° | 53.9° |
| C04 | O14 | CO2 | O05 | 41.5° | 34.5° |
| C04 | O14 | CO2 | O12 | 49.5° | 61.6° |
| C04 | O14 | CO2 | O06 | 42.1° | 70.2° |
| C04 | O14 | CO2 | O09 | 131.5° | 119.6° |
| C04 | O14 | CO2 | N05 | 141.5° | 152.4° |
| O14 | C04 | C37 | H19 | 66.6° | 11.5° |
| O14 | C04 | C37 | H20 | 54.0° | 127.7° |
| O03 | C04 | O14 | CO2 | 4.1° | 20.6° |
| C04 | O03 | CO4 | O05 | 51.4° | 93.8° |
| C04 | O03 | CO4 | O07 | 18.2° | 93.4° |
| C04 | O03 | CO4 | N07 | 136.9° | 168.9° |
| C04 | O03 | CO4 | O12 | 40.4° | 0.9° |
| C04 | O03 | CO4 | O15 | 131.4° | 82.8° |
| O03 | C04 | C37 | H19 | 120.7° | 166.8° |
| O03 | C04 | C37 | H20 | 118.7° | 50.5° |
| O14 | CO2 | O05 | CO4 | 86.0° | 74.9° |
| O14 | CO2 | O12 | CO4 | 82.1° | 88.1° |
| O14 | CO2 | O05 | CO1 | 177.7° | 167.3° |
| O14 | CO2 | O05 | O12 | 91.9° | 82.0° |
| O14 | CO2 | O05 | O06 | 174.8° | 174.7° |
| O14 | CO2 | O05 | O09 | 85.6° | 91.6° |
| O14 | CO2 | O05 | N05 | 35.4° | 138.9° |
| O14 | CO2 | O06 | CO1 | 91.6° | 97.9° |
| O14 | CO2 | O12 | CO3 | 173.6° | 173.9° |
| O14 | CO2 | O12 | O06 | 179.3° | 179.2° |
| O14 | CO2 | O12 | O09 | 21.7° | 10.8° |
| O14 | CO2 | O12 | N05 | 88.3° | 92.1° |
| O14 | CO2 | O06 | CO3 | 2.2° | 15.3° |
| O14 | CO2 | O06 | O09 | 173.5° | 170.2° |
| O14 | CO2 | O06 | N05 | 99.3° | 82.4° |
| O14 | CO2 | O09 | N05 | 88.5° | 92.1° |
| O14 | CO2 | N05 | C32 | 43.4° | 43.4° |
| O14 | CO2 | N05 | C24 | 134.5° | 137.4° |
| O14 | CO2 | O09 | H38 | 180.0° | 22.1° |
| O14 | CO2 | O09 | H39 | 60.0° | 95.3° |
| O03 | CO4 | O05 | O07 | 176.3° | 179.9° |
| O03 | CO4 | O05 | N07 | 92.2° | 89.6° |
| O03 | CO4 | O05 | O12 | 90.9° | 91.1° |
| O03 | CO4 | O05 | O15 | 45.2° | 23.3° |
| O03 | CO4 | O07 | N07 | 118.7° | 97.7° |
| O03 | CO4 | O07 | O12 | 58.8° | 94.8° |
| O03 | CO4 | O07 | O15 | 149.3° | 176.2° |
| O03 | CO4 | N07 | O12 | 137.9° | 107.7° |
| O03 | CO4 | N07 | O15 | 88.2° | 96.7° |
| O03 | CO4 | O12 | O15 | 88.2° | 96.5° |
| O03 | CO4 | O05 | CO1 | 165.0° | 178.9° |
| O03 | CO4 | O05 | CO2 | 86.1° | 84.4° |
| O03 | CO4 | O07 | CO1 | 20.9° | 0.6° |
| O03 | CO4 | O07 | CO3 | 74.8° | 85.0° |
| O03 | CO4 | N07 | C44 | 39.4° | 16.3° |
| O03 | CO4 | N07 | C40 | 145.9° | 158.9° |
| O03 | CO4 | O12 | CO3 | 169.4° | 153.7° |
| O03 | CO4 | O12 | CO2 | 82.8° | 68.7° |
| O03 | CO4 | O15 | H47 | 180.0° | 79.5° |
| O03 | CO4 | O15 | H48 | 60.0° | 163.0° |
| O05 | CO4 | O07 | N07 | 85.4° | 97.3° |
| O05 | CO4 | O07 | O12 | 92.2° | 95.2° |
| O05 | CO4 | O07 | O15 | 177.4° | 176.6° |
| O05 | CO4 | N07 | O12 | 49.0° | 176.9° |
| O05 | CO4 | N07 | O15 | 177.1° | 172.1° |
| O05 | CO4 | O12 | O15 | 177.3° | 172.0° |
| CO4 | O05 | CO1 | CO2 | 82.3° | 84.9° |
| O05 | CO4 | O07 | CO1 | 12.5° | 1.0° |
| O05 | CO4 | O07 | CO3 | 108.2° | 85.4° |
| O05 | CO4 | N07 | C44 | 49.5° | 59.1° |
| O05 | CO4 | N07 | C40 | 125.2° | 125.7° |
| CO4 | O05 | CO1 | N04 | 108.4° | 96.1° |
| CO4 | O05 | CO1 | O10 | 38.2° | 82.9° |
| CO4 | O05 | CO1 | O06 | 74.1° | 92.1° |
| CO4 | O05 | CO1 | O08 | 161.5° | 175.7° |
| O05 | CO4 | O12 | CO3 | 101.5° | 78.2° |
| O05 | CO4 | O12 | CO2 | 6.4° | 6.8° |
| CO4 | O05 | CO2 | O06 | 88.7° | 99.8° |
| CO4 | O05 | CO2 | O09 | 171.6° | 166.5° |
| CO4 | O05 | CO2 | N05 | 121.4° | 146.2° |
| O05 | CO4 | O15 | H47 | 134.8° | 56.9° |
| O05 | CO4 | O15 | H48 | 105.2° | 174.4° |
| O07 | CO4 | N07 | O12 | 36.3° | 88.5° |
| O07 | CO4 | N07 | O15 | 97.7° | 99.6° |
| O07 | CO4 | O12 | O15 | 97.6° | 99.8° |
| O07 | CO4 | O05 | CO2 | 90.3° | 95.5° |
| CO4 | O07 | CO1 | CO3 | 86.2° | 86.9° |
| O07 | CO4 | N07 | C44 | 134.7° | 147.4° |
| O07 | CO4 | N07 | C40 | 40.0° | 37.3° |
| CO4 | O07 | CO1 | N04 | 94.7° | 92.1° |
| CO4 | O07 | CO1 | O10 | 173.8° | 170.3° |
| CO4 | O07 | CO1 | O06 | 88.5° | 84.2° |
| CO4 | O07 | CO1 | O08 | 50.3° | 46.2° |
| O07 | CO4 | O12 | CO3 | 16.3° | 10.0° |
| O07 | CO4 | O12 | CO2 | 91.5° | 95.0° |
| CO4 | O07 | CO3 | N06 | 121.3° | 145.3° |
| CO4 | O07 | CO3 | O06 | 93.9° | 88.5° |
| O07 | CO4 | O15 | H47 | 3.4° | 99.4° |
| O07 | CO4 | O15 | H48 | 116.6° | 18.1° |
| N07 | CO4 | O12 | O15 | 133.9° | 11.1° |
| N07 | CO4 | O05 | CO1 | 102.8° | 91.5° |
| N07 | CO4 | O05 | CO2 | 178.2° | 174.0° |
| N07 | CO4 | O07 | CO1 | 97.8° | 98.3° |
| N07 | CO4 | O07 | CO3 | 166.5° | 177.3° |
| CO4 | N07 | C44 | C40 | 175.2° | 175.3° |
| CO4 | N07 | C44 | C43 | 175.9° | 175.2° |
| CO4 | N07 | C40 | C41 | 176.1° | 175.3° |
| N07 | CO4 | O12 | CO3 | 52.7° | 98.7° |
| N07 | CO4 | O12 | CO2 | 55.2° | 176.3° |
| CO4 | N07 | C44 | H22 | 4.1° | 4.8° |
| CO4 | N07 | C40 | H26 | 3.9° | 4.3° |
| N07 | CO4 | O15 | H47 | 88.0° | 170.6° |
| N07 | CO4 | O15 | H48 | 152.1° | 71.9° |
| O12 | CO4 | O05 | CO1 | 74.1° | 87.9° |
| O12 | CO4 | O07 | CO1 | 79.7° | 94.2° |
| O12 | CO4 | N07 | C44 | 98.5° | 124.0° |
| O12 | CO4 | N07 | C40 | 76.2° | 51.2° |
| CO4 | O12 | CO3 | CO2 | 93.5° | 82.9° |
| CO4 | O12 | CO3 | N06 | 163.7° | 174.2° |
| CO4 | O12 | CO3 | O06 | 99.4° | 90.1° |
| CO4 | O12 | CO2 | O06 | 97.2° | 92.7° |
| CO4 | O12 | CO2 | O09 | 103.8° | 98.9° |
| CO4 | O12 | CO2 | N05 | 170.4° | 179.9° |
| O12 | CO4 | O15 | H47 | 89.0° | 11.8° |
| O12 | CO4 | O15 | H48 | 30.9° | 105.7° |
| O15 | CO4 | O05 | CO1 | 149.8° | 155.6° |
| O15 | CO4 | O05 | CO2 | 131.3° | 61.1° |
| O15 | CO4 | O07 | CO1 | 170.2° | 175.6° |
| O15 | CO4 | O07 | CO3 | 74.5° | 91.2° |
| O15 | CO4 | N07 | C44 | 127.6° | 113.0° |
| O15 | CO4 | N07 | C40 | 57.7° | 62.2° |
| O15 | CO4 | O12 | CO3 | 81.2° | 109.8° |
| O15 | CO4 | O12 | CO2 | 170.9° | 165.2° |
| CO4 | O15 | H47 | H48 | 120.0° | 118.8° |
| O05 | CO1 | O07 | N04 | 83.8° | 91.2° |
| O05 | CO1 | O07 | O10 | 175.3° | 171.2° |
| O05 | CO1 | O07 | O06 | 99.5° | 85.2° |
| O05 | CO1 | O07 | O08 | 61.2° | 47.2° |
| O05 | CO1 | O07 | CO3 | 97.1° | 87.9° |
| O05 | CO1 | N04 | O10 | 169.6° | 179.8° |
| O05 | CO1 | N04 | O06 | 144.2° | 67.6° |
| O05 | CO1 | N04 | O08 | 91.6° | 89.1° |
| O05 | CO1 | O10 | O06 | 113.6° | 9.2° |
| O05 | CO1 | O10 | O08 | 160.1° | 92.7° |
| O05 | CO1 | O06 | O08 | 91.2° | 89.6° |
| O05 | CO1 | N04 | C22 | 127.2° | 144.5° |
| O05 | CO1 | N04 | C18 | 58.4° | 35.0° |
| CO1 | O05 | CO2 | O12 | 90.4° | 85.3° |
| O05 | CO1 | O06 | CO3 | 82.5° | 90.3° |
| CO1 | O05 | CO2 | O06 | 7.5° | 7.4° |
| CO1 | O05 | CO2 | O09 | 92.1° | 101.1° |
| CO1 | O05 | CO2 | N05 | 142.3° | 53.8° |
| O05 | CO1 | O08 | H21 | 180.0° | 83.9° |
| O05 | CO1 | O08 | H37 | 60.0° | 158.6° |
| O05 | CO1 | O10 | H40 | 180.0° | 78.6° |
| O05 | CO1 | O10 | H46 | 60.0° | 163.2° |
| CO2 | O05 | CO1 | O07 | 95.1° | 85.9° |
| CO2 | O05 | CO1 | N04 | 169.3° | 179.0° |
| CO2 | O05 | CO1 | O10 | 120.5° | 2.0° |
| CO2 | O05 | CO1 | O08 | 79.2° | 90.8° |
| O05 | CO2 | O12 | CO3 | 86.1° | 79.2° |
| O05 | CO2 | O12 | O06 | 91.9° | 86.1° |
| O05 | CO2 | O12 | O09 | 109.2° | 105.5° |
| O05 | CO2 | O12 | N05 | 175.8° | 173.2° |
| O05 | CO2 | O06 | CO3 | 85.6° | 89.8° |
| O05 | CO2 | O06 | O09 | 90.1° | 84.7° |
| O05 | CO2 | O06 | N05 | 177.3° | 172.5° |
| O05 | CO2 | O09 | N05 | 175.9° | 172.4° |
| O05 | CO2 | N05 | C32 | 78.7° | 177.5° |
| O05 | CO2 | N05 | C24 | 99.1° | 1.7° |
| O05 | CO2 | O09 | H38 | 92.6° | 117.6° |
| O05 | CO2 | O09 | H39 | 27.4° | 0.2° |
| O07 | CO1 | N04 | O10 | 85.0° | 91.9° |
| O07 | CO1 | N04 | O06 | 131.1° | 155.6° |
| O07 | CO1 | N04 | O08 | 176.2° | 177.0° |
| O07 | CO1 | O10 | O06 | 88.1° | 92.8° |
| O07 | CO1 | O10 | O08 | 174.5° | 176.3° |
| O07 | CO1 | O06 | O08 | 175.9° | 177.2° |
| O07 | CO1 | N04 | C22 | 42.6° | 56.5° |
| O07 | CO1 | N04 | C18 | 143.0° | 123.0° |
| CO1 | O07 | CO3 | O12 | 74.9° | 102.3° |
| CO1 | O07 | CO3 | N06 | 29.6° | 123.3° |
| CO1 | O07 | CO3 | O06 | 2.2° | 2.9° |
| O07 | CO1 | O06 | CO2 | 93.4° | 80.3° |
| O07 | CO1 | O08 | H21 | 119.1° | 36.8° |
| O07 | CO1 | O08 | H37 | 120.9° | 154.3° |
| O07 | CO1 | O10 | H40 | 154.6° | 5.0° |
| O07 | CO1 | O10 | H46 | 34.6° | 113.2° |
| CO3 | O07 | CO1 | N04 | 179.1° | 179.0° |
| CO3 | O07 | CO1 | O10 | 87.6° | 83.3° |
| CO3 | O07 | CO1 | O08 | 35.9° | 40.7° |
| O07 | CO3 | O12 | N06 | 178.5° | 163.8° |
| O07 | CO3 | O12 | O06 | 81.7° | 100.5° |
| O07 | CO3 | O12 | CO2 | 75.8° | 93.3° |
| O07 | CO3 | N06 | O06 | 27.4° | 127.0° |
| O07 | CO3 | N06 | C34 | 10.4° | 91.5° |
| O07 | CO3 | N06 | C28 | 169.4° | 89.8° |
| O07 | CO3 | O06 | CO2 | 90.2° | 91.3° |
| N07 | C44 | C43 | H22 | 180.0° | 180.0° |
| N07 | C44 | C43 | C42 | 1.2° | 0.1° |
| C44 | N07 | C40 | C41 | 2.1° | 0.3° |
| N07 | C44 | C43 | H23 | 178.8° | 180.0° |
| C44 | N07 | C40 | H26 | 177.9° | 179.9° |
| C40 | N07 | C44 | C43 | 0.7° | 0.2° |
| N07 | C40 | C41 | C42 | 1.9° | 0.2° |
| N07 | C40 | C41 | H26 | 180.0° | 179.6° |
| C40 | N07 | C44 | H22 | 179.3° | 179.8° |
| N07 | C40 | C41 | H25 | 178.1° | 179.9° |
| C44 | C43 | C42 | H23 | 180.0° | 179.9° |
| C44 | C43 | C42 | C41 | 1.4° | 0.0° |
| C44 | C43 | C42 | H24 | 178.6° | 180.0° |
| C43 | C42 | C41 | H24 | 180.0° | 179.9° |
| C43 | C42 | C41 | C40 | 0.2° | 0.1° |
| C42 | C43 | C44 | H22 | 178.8° | 179.9° |
| C43 | C42 | C41 | H25 | 179.8° | 180.0° |
| C42 | C41 | C40 | H25 | 180.0° | 179.9° |
| C41 | C42 | C43 | H23 | 178.6° | 180.0° |
| C42 | C41 | C40 | H26 | 178.1° | 179.9° |
| C40 | C41 | C42 | H24 | 179.8° | 180.0° |
| N04 | CO1 | O10 | O06 | 176.9° | 171.8° |
| N04 | CO1 | O10 | O08 | 90.6° | 88.4° |
| N04 | CO1 | O06 | O08 | 52.7° | 21.6° |
| CO1 | N04 | C22 | C18 | 175.0° | 179.5° |
| CO1 | N04 | C22 | C21 | 179.2° | 179.4° |
| CO1 | N04 | C18 | C19 | 177.9° | 179.3° |
| N04 | CO1 | O06 | CO3 | 133.6° | 158.3° |
| N04 | CO1 | O06 | CO2 | 135.3° | 75.3° |
| CO1 | N04 | C22 | H27 | 0.8° | 0.6° |
| CO1 | N04 | C18 | H31 | 2.1° | 0.5° |
| N04 | CO1 | O08 | H21 | 95.8° | 175.3° |
| N04 | CO1 | O08 | H37 | 24.3° | 67.2° |
| N04 | CO1 | O10 | H40 | 110.5° | 100.4° |
| N04 | CO1 | O10 | H46 | 129.5° | 17.8° |
| O10 | CO1 | O06 | O08 | 99.0° | 91.8° |
| O10 | CO1 | N04 | C22 | 42.4° | 35.4° |
| O10 | CO1 | N04 | C18 | 132.0° | 145.1° |
| O10 | CO1 | O06 | CO3 | 87.3° | 88.3° |
| O10 | CO1 | O06 | CO2 | 178.4° | 171.3° |
| O10 | CO1 | O08 | H21 | 3.8° | 87.3° |
| O10 | CO1 | O08 | H37 | 116.3° | 30.2° |
| CO1 | O10 | H40 | H46 | 120.0° | 119.9° |
| O06 | CO1 | N04 | C22 | 88.6° | 148.0° |
| O06 | CO1 | N04 | C18 | 85.8° | 32.6° |
| CO1 | O06 | CO3 | O12 | 92.6° | 101.3° |
| CO1 | O06 | CO2 | O12 | 99.0° | 89.5° |
| CO1 | O06 | CO3 | N06 | 178.5° | 159.0° |
| CO1 | O06 | CO3 | CO2 | 88.0° | 94.2° |
| CO1 | O06 | CO2 | O09 | 82.0° | 91.9° |
| CO1 | O06 | CO2 | N05 | 169.2° | 179.6° |
| O06 | CO1 | O08 | H21 | 80.8° | 1.4° |
| O06 | CO1 | O08 | H37 | 159.1° | 116.0° |
| O06 | CO1 | O10 | H40 | 66.4° | 87.8° |
| O06 | CO1 | O10 | H46 | 53.6° | 154.0° |
| O08 | CO1 | N04 | C22 | 141.2° | 126.5° |
| O08 | CO1 | N04 | C18 | 33.2° | 54.0° |
| O08 | CO1 | O06 | CO3 | 173.7° | 179.9° |
| O08 | CO1 | O06 | CO2 | 82.6° | 96.9° |
| CO1 | O08 | H21 | H37 | 120.0° | 118.8° |
| O08 | CO1 | O10 | H40 | 19.9° | 171.3° |
| O08 | CO1 | O10 | H46 | 139.9° | 70.6° |
| N04 | C22 | C21 | H27 | 180.0° | 180.0° |
| N04 | C22 | C21 | C20 | 2.4° | 0.0° |
| C22 | N04 | C18 | C19 | 4.3° | 0.2° |
| N04 | C22 | C21 | H28 | 177.6° | 180.0° |
| C22 | N04 | C18 | H31 | 175.7° | 180.0° |
| C18 | N04 | C22 | C21 | 4.3° | 0.1° |
| N04 | C18 | C19 | C20 | 2.0° | 0.1° |
| N04 | C18 | C19 | H31 | 180.0° | 179.9° |
| C18 | N04 | C22 | H27 | 175.8° | 179.9° |
| N04 | C18 | C19 | H30 | 178.0° | 179.9° |
| C22 | C21 | C20 | H28 | 180.0° | 180.0° |
| C22 | C21 | C20 | C19 | 0.5° | 0.0° |
| C22 | C21 | C20 | H29 | 179.5° | 180.0° |
| C21 | C20 | C19 | H29 | 180.0° | 180.0° |
| C21 | C20 | C19 | C18 | 0.2° | 0.0° |
| C20 | C21 | C22 | H27 | 177.6° | 180.0° |
| C21 | C20 | C19 | H30 | 179.8° | 180.0° |
| C20 | C19 | C18 | H30 | 180.0° | 180.0° |
| C19 | C20 | C21 | H28 | 179.5° | 180.0° |
| C20 | C19 | C18 | H31 | 178.0° | 180.0° |
| C18 | C19 | C20 | H29 | 179.8° | 180.0° |
| O12 | CO3 | N06 | O06 | 77.2° | 98.8° |
| O12 | CO3 | N06 | C34 | 115.0° | 134.4° |
| O12 | CO3 | N06 | C28 | 64.8° | 44.4° |
| CO3 | O12 | CO2 | O06 | 5.8° | 6.9° |
| CO3 | O12 | CO2 | O09 | 164.7° | 175.3° |
| CO3 | O12 | CO2 | N05 | 98.1° | 94.0° |
| CO2 | O12 | CO3 | N06 | 102.8° | 102.9° |
| O12 | CO2 | O06 | O09 | 179.0° | 178.7° |
| O12 | CO2 | O06 | N05 | 91.8° | 90.9° |
| O12 | CO2 | O09 | N05 | 66.7° | 81.4° |
| O12 | CO2 | N05 | C32 | 48.5° | 38.1° |
| O12 | CO2 | N05 | C24 | 133.6° | 141.2° |
| O12 | CO2 | O09 | H38 | 158.3° | 11.4° |
| O12 | CO2 | O09 | H39 | 81.8° | 106.0° |
| CO3 | N06 | C34 | C28 | 179.9° | 178.8° |
| CO3 | N06 | C34 | C35 | 179.7° | 178.6° |
| CO3 | N06 | C28 | C29 | 180.0° | 178.6° |
| N06 | CO3 | O06 | CO2 | 90.5° | 106.9° |
| CO3 | N06 | C34 | H32 | 0.3° | 1.3° |
| CO3 | N06 | C28 | H36 | 0.1° | 1.3° |
| O06 | CO3 | N06 | C34 | 37.8° | 35.5° |
| O06 | CO3 | N06 | C28 | 142.1° | 143.2° |
| CO3 | O06 | CO2 | O09 | 175.7° | 174.5° |
| CO3 | O06 | CO2 | N05 | 97.0° | 97.7° |
| N06 | C34 | C35 | H32 | 180.0° | 179.8° |
| N06 | C34 | C35 | C30 | 0.2° | 0.1° |
| C34 | N06 | C28 | C29 | 0.2° | 0.2° |
| N06 | C34 | C35 | H33 | 179.8° | 179.9° |
| C34 | N06 | C28 | H36 | 179.8° | 180.0° |
| C28 | N06 | C34 | C35 | 0.4° | 0.2° |
| N06 | C28 | C29 | C30 | 0.3° | 0.1° |
| N06 | C28 | C29 | H36 | 180.0° | 179.8° |
| C28 | N06 | C34 | H32 | 179.6° | 180.0° |
| N06 | C28 | C29 | H35 | 179.8° | 179.9° |
| C34 | C35 | C30 | H33 | 180.0° | 179.9° |
| C34 | C35 | C30 | C29 | 0.3° | 0.1° |
| C34 | C35 | C30 | H34 | 179.7° | 180.0° |
| C35 | C30 | C29 | H34 | 180.0° | 179.9° |
| C35 | C30 | C29 | C28 | 0.5° | 0.1° |
| C30 | C35 | C34 | H32 | 179.8° | 180.0° |
| C35 | C30 | C29 | H35 | 179.5° | 180.0° |
| C30 | C29 | C28 | H35 | 180.0° | 179.9° |
| C29 | C30 | C35 | H33 | 179.7° | 180.0° |
| C30 | C29 | C28 | H36 | 179.8° | 180.0° |
| C28 | C29 | C30 | H34 | 179.5° | 180.0° |
| O06 | CO2 | O09 | N05 | 92.1° | 87.0° |
| O06 | CO2 | N05 | C32 | 131.4° | 131.2° |
| O06 | CO2 | N05 | C24 | 50.7° | 48.0° |
| O06 | CO2 | O09 | H38 | 0.6° | 157.0° |
| O06 | CO2 | O09 | H39 | 119.4° | 85.6° |
| O09 | CO2 | N05 | C32 | 129.1° | 135.3° |
| O09 | CO2 | N05 | C24 | 48.8° | 45.4° |
| CO2 | O09 | H38 | H39 | 119.9° | 118.7° |
| CO2 | N05 | C32 | C24 | 177.8° | 179.2° |
| CO2 | N05 | C32 | C33 | 179.1° | 179.2° |
| CO2 | N05 | C24 | C25 | 179.5° | 179.2° |
| CO2 | N05 | C32 | H41 | 0.9° | 0.8° |
| CO2 | N05 | C24 | H45 | 0.5° | 0.7° |
| N05 | CO2 | O09 | H38 | 91.5° | 70.0° |
| N05 | CO2 | O09 | H39 | 148.5° | 172.6° |
| N05 | C32 | C33 | H41 | 180.0° | 179.9° |
| N05 | C32 | C33 | C26 | 0.9° | 0.0° |
| C32 | N05 | C24 | C25 | 1.9° | 0.1° |
| N05 | C32 | C33 | H42 | 179.1° | 180.0° |
| C32 | N05 | C24 | H45 | 178.1° | 180.0° |
| C24 | N05 | C32 | C33 | 1.3° | 0.1° |
| N05 | C24 | C25 | C26 | 2.2° | 0.0° |
| N05 | C24 | C25 | H45 | 180.0° | 179.9° |
| C24 | N05 | C32 | H41 | 178.7° | 180.0° |
| N05 | C24 | C25 | H44 | 177.7° | 180.0° |
| C32 | C33 | C26 | H42 | 180.0° | 180.0° |
| C32 | C33 | C26 | C25 | 1.3° | 0.0° |
| C32 | C33 | C26 | H43 | 178.7° | 180.0° |
| C33 | C26 | C25 | H43 | 180.0° | 179.9° |
| C33 | C26 | C25 | C24 | 2.0° | 0.0° |
| C26 | C33 | C32 | H41 | 179.1° | 180.0° |
| C33 | C26 | C25 | H44 | 178.0° | 180.0° |
| C26 | C25 | C24 | H44 | 180.0° | 180.0° |
| C25 | C26 | C33 | H42 | 178.7° | 180.0° |
| C26 | C25 | C24 | H45 | 177.8° | 180.0° |
| C24 | C25 | C26 | H43 | 178.0° | 180.0° |
| H1 | N03 | C11 | H2 | 62.3° | 57.0° |
| H2 | C11 | C10 | H3 | 30.6° | 93.7° |
| H2 | C11 | C10 | H4 | 90.0° | 26.4° |
| H2 | C11 | C12 | H6 | 2.5° | 6.6° |
| H5 | N02 | C12 | H6 | 61.4° | 66.7° |
| H6 | C12 | C09 | H7 | 41.3° | 43.2° |
| H7 | C09 | C08 | H8 | 168.1° | 80.6° |
| H7 | C09 | C08 | H9 | 71.8° | 163.6° |
| H8 | C08 | C07 | H10 | 177.5° | 172.2° |
| H8 | C08 | C07 | H11 | 62.8° | 71.2° |
| H9 | C08 | C07 | H10 | 57.5° | 56.4° |
| H9 | C08 | C07 | H11 | 177.1° | 173.0° |
| H10 | C07 | C06 | H12 | 179.3° | 179.6° |
| H10 | C07 | C06 | H13 | 61.8° | 64.1° |
| H11 | C07 | C06 | H12 | 59.6° | 64.3° |
| H11 | C07 | C06 | H13 | 178.6° | 179.8° |
| H12 | C06 | C05 | H14 | 68.7° | 80.3° |
| H12 | C06 | C05 | H15 | 51.0° | 162.7° |
| H13 | C06 | C05 | H14 | 172.3° | 35.4° |
| H13 | C06 | C05 | H15 | 68.0° | 81.7° |
| H16 | N01 | C02 | H17 | 149.3° | 23.3° |
| H16 | N01 | C02 | H18 | 28.4° | 140.9° |
| H17 | C02 | C37 | H19 | 164.2° | 172.1° |
| H17 | C02 | C37 | H20 | 75.3° | 55.1° |
| H18 | C02 | C37 | H19 | 43.3° | 70.2° |
| H18 | C02 | C37 | H20 | 163.8° | 172.8° |
| H22 | C44 | C43 | H23 | 1.2° | 0.0° |
| H23 | C43 | C42 | H24 | 1.4° | 0.1° |
| H24 | C42 | C41 | H25 | 0.2° | 0.1° |
| H25 | C41 | C40 | H26 | 1.9° | 0.3° |
| H27 | C22 | C21 | H28 | 2.4° | 0.1° |
| H28 | C21 | C20 | H29 | 0.5° | 0.0° |
| H29 | C20 | C19 | H30 | 0.2° | 0.0° |
| H30 | C19 | C18 | H31 | 2.0° | 0.0° |
| H32 | C34 | C35 | H33 | 0.2° | 0.1° |
| H33 | C35 | C30 | H34 | 0.3° | 0.0° |
| H34 | C30 | C29 | H35 | 0.5° | 0.0° |
| H35 | C29 | C28 | H36 | 0.2° | 0.1° |
| H41 | C32 | C33 | H42 | 0.9° | 0.0° |
| H42 | C33 | C26 | H43 | 1.3° | 0.0° |
| H43 | C26 | C25 | H44 | 2.0° | 0.0° |
| H44 | C25 | C24 | H45 | 2.3° | 0.0° |
