OL3
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 | 1.34Å | |
| C13 | N02 | sing | 1.35Å | 1.35Å | |
| N03 | C11 | sing | 1.45Å | 1.44Å | |
| C11 | C10 | sing | 1.53Å | 1.54Å | |
| C11 | C12 | sing | 1.55Å | 1.59Å | |
| C10 | S01 | sing | 1.79Å | 1.79Å | |
| S01 | C09 | sing | 1.82Å | 1.79Å | |
| N02 | C12 | sing | 1.45Å | 1.47Å | |
| C12 | C09 | sing | 1.57Å | 1.54Å | |
| C09 | C08 | sing | 1.53Å | 1.57Å | |
| C08 | C07 | sing | 1.53Å | 1.49Å | |
| C07 | C06 | sing | 1.54Å | 1.56Å | |
| C06 | C05 | sing | 1.53Å | 1.56Å | |
| C05 | C01 | sing | 1.51Å | 1.54Å | |
| C01 | O01 | doub | 1.24Å | 1.26Å | |
| C01 | N01 | sing | 1.35Å | 1.32Å | |
| N01 | C02 | sing | 1.46Å | 1.42Å | |
| C02 | C37 | sing | 1.52Å | 1.49Å | |
| C37 | C04 | sing | 1.51Å | 1.46Å | |
| C04 | O14 | sing | 1.25Å | 1.33Å | |
| C04 | O03 | doub | 1.25Å | 1.35Å | |
| O14 | CO2 | sing | 2.09Å | 2.09Å | |
| O03 | CO4 | sing | 2.08Å | 2.03Å | |
| CO4 | O05 | sing | 2.06Å | 1.95Å | |
| CO4 | O07 | sing | 2.09Å | 1.87Å | |
| CO4 | N07 | sing | 2.20Å | 2.32Å | |
| CO4 | O12 | sing | 2.14Å | 1.97Å | |
| CO4 | O15 | sing | 2.08Å | 2.12Å | |
| O05 | CO1 | sing | 2.07Å | 1.88Å | |
| O05 | CO2 | sing | 2.20Å | 2.10Å | |
| O07 | CO1 | sing | 2.10Å | 2.05Å | |
| O07 | CO3 | sing | 2.06Å | 2.06Å | |
| N07 | C44 | doub | 1.34Å | 1.36Å | Aromatic |
| N07 | C40 | sing | 1.34Å | 1.38Å | Aromatic |
| C44 | C43 | sing | 1.37Å | 1.41Å | Aromatic |
| C43 | C42 | doub | 1.36Å | 1.41Å | Aromatic |
| C42 | C41 | sing | 1.36Å | 1.29Å | Aromatic |
| C41 | C40 | doub | 1.37Å | 1.33Å | Aromatic |
| CO1 | O10 | sing | 2.09Å | 2.08Å | |
| CO1 | O06 | sing | 2.15Å | 1.98Å | |
| CO1 | O08 | sing | 2.08Å | 2.08Å | |
| N04 | C22 | doub | 1.34Å | 1.36Å | Aromatic |
| N04 | C18 | sing | 1.34Å | 1.37Å | Aromatic |
| C22 | C21 | sing | 1.37Å | 1.41Å | Aromatic |
| C21 | C20 | doub | 1.36Å | 1.41Å | Aromatic |
| C20 | C19 | sing | 1.36Å | 1.31Å | Aromatic |
| C19 | C18 | doub | 1.37Å | 1.30Å | Aromatic |
| O12 | CO3 | sing | 2.06Å | 1.90Å | |
| O12 | CO2 | sing | 2.07Å | 2.05Å | |
| CO3 | O11 | sing | 2.05Å | 2.06Å | |
| CO3 | O06 | sing | 2.02Å | 1.87Å | |
| N06 | C34 | doub | 1.34Å | 1.36Å | Aromatic |
| N06 | C28 | sing | 1.34Å | 1.37Å | Aromatic |
| C34 | C35 | sing | 1.37Å | 1.30Å | Aromatic |
| C35 | C30 | doub | 1.36Å | 1.31Å | Aromatic |
| C30 | C29 | sing | 1.36Å | 1.41Å | Aromatic |
| C29 | C28 | doub | 1.37Å | 1.40Å | Aromatic |
| O11 | C16 | sing | 1.25Å | 1.46Å | |
| C16 | C17 | sing | 1.50Å | 1.54Å | |
| C16 | O10 | doub | 1.25Å | 1.42Å | |
| O06 | CO2 | sing | 2.09Å | 2.03Å | |
| CO2 | O09 | sing | 2.08Å | 2.18Å | |
| CO2 | N05 | sing | 2.19Å | 2.33Å | |
| N05 | C32 | doub | 1.34Å | 1.37Å | Aromatic |
| N05 | C24 | sing | 1.34Å | 1.36Å | Aromatic |
| C32 | C33 | sing | 1.37Å | 1.41Å | Aromatic |
| C33 | C26 | doub | 1.36Å | 1.40Å | Aromatic |
| C26 | C25 | sing | 1.36Å | 1.41Å | Aromatic |
| C25 | C24 | doub | 1.37Å | 1.42Å | Aromatic |
| CO1 | N04 | sing | 2.14Å | 2.63Å | |
| CO3 | N06 | sing | 2.15Å | 2.64Å | |
| 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 | |
| C17 | H38 | sing | 0.97Å | 1.10Å | |
| C17 | H39 | sing | 0.97Å | 1.10Å | |
| C17 | H40 | sing | 0.97Å | 1.10Å | |
| C32 | H44 | sing | 0.94Å | 1.08Å | |
| C33 | H45 | sing | 0.94Å | 1.08Å | |
| C26 | H46 | sing | 0.94Å | 1.08Å | |
| C25 | H47 | sing | 0.94Å | 1.08Å | |
| C24 | H48 | sing | 0.94Å | 1.08Å | |
| H21 | O08 | sing | 0.86Å | 0.95Å | |
| H37 | O08 | sing | 0.86Å | 0.95Å | |
| H41 | O09 | sing | 0.86Å | 0.95Å | |
| H42 | O09 | sing | 0.86Å | 0.95Å | |
| H43 | O15 | sing | 0.86Å | 0.95Å | |
| H49 | O15 | sing | 0.86Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O04 | C13 | N03 | 124.9° | 126.0° |
| O04 | C13 | N02 | 124.9° | 126.1° |
| N03 | C13 | N02 | 110.0° | 107.9° |
| C13 | N03 | C11 | 113.0° | 113.3° |
| C13 | N03 | H1 | 123.5° | 122.2° |
| C13 | N02 | C12 | 112.9° | 113.7° |
| C13 | N02 | H5 | 123.5° | 121.5° |
| N03 | C11 | C10 | 111.3° | 113.1° |
| N03 | C11 | C12 | 103.1° | 102.7° |
| C11 | N03 | H1 | 123.5° | 124.4° |
| N03 | C11 | H2 | 113.3° | 110.1° |
| C10 | C11 | C12 | 105.9° | 109.4° |
| C11 | C10 | S01 | 107.9° | 106.4° |
| C10 | C11 | H2 | 111.7° | 110.6° |
| C11 | C10 | H3 | 109.8° | 110.4° |
| C11 | C10 | H4 | 109.9° | 110.4° |
| C11 | C12 | N02 | 100.9° | 102.1° |
| C11 | C12 | C09 | 109.8° | 108.1° |
| C12 | C11 | H2 | 111.0° | 110.6° |
| C11 | C12 | H6 | 110.4° | 110.2° |
| C10 | S01 | C09 | 90.6° | 90.2° |
| S01 | C10 | H3 | 109.9° | 110.6° |
| S01 | C10 | H4 | 109.9° | 110.5° |
| S01 | C09 | C12 | 105.5° | 102.8° |
| S01 | C09 | C08 | 119.9° | 112.1° |
| S01 | C09 | H7 | 103.8° | 107.7° |
| N02 | C12 | C09 | 112.2° | 116.4° |
| C12 | N02 | H5 | 123.6° | 124.8° |
| N02 | C12 | H6 | 112.1° | 109.5° |
| C12 | C09 | C08 | 114.6° | 118.7° |
| C09 | C12 | H6 | 111.0° | 110.1° |
| C12 | C09 | H7 | 106.0° | 107.4° |
| C09 | C08 | C07 | 109.9° | 116.4° |
| C08 | C09 | H7 | 105.7° | 107.6° |
| C09 | C08 | H8 | 109.4° | 108.2° |
| C09 | C08 | H9 | 109.4° | 108.1° |
| C08 | C07 | C06 | 109.0° | 114.7° |
| C07 | C08 | H8 | 109.4° | 108.3° |
| C07 | C08 | H9 | 109.4° | 108.3° |
| C08 | C07 | H10 | 109.6° | 108.9° |
| C08 | C07 | H11 | 109.6° | 108.9° |
| C07 | C06 | C05 | 113.0° | 116.2° |
| C06 | C07 | H10 | 109.6° | 108.4° |
| C06 | C07 | H11 | 109.6° | 108.4° |
| C07 | C06 | H12 | 108.6° | 108.3° |
| C07 | C06 | H13 | 108.6° | 108.1° |
| C06 | C05 | C01 | 108.7° | 113.1° |
| C05 | C06 | H12 | 108.6° | 108.4° |
| C05 | C06 | H13 | 108.6° | 108.4° |
| C06 | C05 | H14 | 109.7° | 108.7° |
| C06 | C05 | H15 | 109.7° | 109.3° |
| C05 | C01 | O01 | 120.7° | 120.3° |
| C05 | C01 | N01 | 115.1° | 117.8° |
| C01 | C05 | H14 | 109.6° | 108.7° |
| C01 | C05 | H15 | 109.6° | 109.3° |
| O01 | C01 | N01 | 124.0° | 121.8° |
| C01 | N01 | C02 | 118.5° | 127.1° |
| C01 | N01 | H16 | 120.8° | 118.6° |
| N01 | C02 | C37 | 103.7° | 112.6° |
| C02 | N01 | H16 | 120.8° | 114.3° |
| N01 | C02 | H17 | 110.9° | 108.9° |
| N01 | C02 | H18 | 110.9° | 108.9° |
| C02 | C37 | C04 | 107.8° | 113.4° |
| C37 | C02 | H17 | 110.9° | 109.2° |
| C37 | C02 | H18 | 110.9° | 109.3° |
| C02 | C37 | H19 | 109.9° | 109.3° |
| C02 | C37 | H20 | 109.9° | 109.2° |
| C37 | C04 | O14 | 111.5° | 118.0° |
| C37 | C04 | O03 | 119.2° | 117.5° |
| C04 | C37 | H19 | 109.9° | 108.5° |
| C04 | C37 | H20 | 109.9° | 108.4° |
| O14 | C04 | O03 | 129.1° | 124.4° |
| C04 | O14 | CO2 | 117.3° | 114.7° |
| C04 | O03 | CO4 | 122.6° | 121.1° |
| O14 | CO2 | O05 | 91.3° | 96.5° |
| O14 | CO2 | O12 | 95.3° | 84.2° |
| O14 | CO2 | O06 | 177.4° | 171.7° |
| O14 | CO2 | O09 | 83.0° | 93.6° |
| O14 | CO2 | N05 | 83.4° | 81.5° |
| O03 | CO4 | O05 | 90.3° | 67.4° |
| O03 | CO4 | O07 | 175.3° | 154.8° |
| O03 | CO4 | N07 | 87.0° | 89.8° |
| O03 | CO4 | O12 | 93.5° | 101.1° |
| O03 | CO4 | O15 | 88.2° | 102.5° |
| O05 | CO4 | O07 | 85.3° | 87.5° |
| O05 | CO4 | N07 | 87.8° | 105.2° |
| O05 | CO4 | O12 | 96.9° | 92.4° |
| O05 | CO4 | O15 | 178.5° | 165.4° |
| CO4 | O05 | CO1 | 97.2° | 93.5° |
| CO4 | O05 | CO2 | 84.9° | 85.4° |
| O07 | CO4 | N07 | 94.7° | 96.3° |
| O07 | CO4 | O12 | 85.3° | 80.0° |
| O07 | CO4 | O15 | 96.2° | 102.3° |
| CO4 | O07 | CO1 | 94.1° | 91.8° |
| CO4 | O07 | CO3 | 94.9° | 97.6° |
| N07 | CO4 | O12 | 175.3° | 161.9° |
| N07 | CO4 | O15 | 91.8° | 84.7° |
| CO4 | N07 | C44 | 111.9° | 123.6° |
| CO4 | N07 | C40 | 128.0° | 119.6° |
| O12 | CO4 | O15 | 83.5° | 78.9° |
| CO4 | O12 | CO3 | 97.3° | 96.0° |
| CO4 | O12 | CO2 | 86.0° | 86.7° |
| CO4 | O15 | H43 | 109.5° | 109.5° |
| CO4 | O15 | H49 | 109.5° | 109.9° |
| CO1 | O05 | CO2 | 89.3° | 98.9° |
| O05 | CO1 | O07 | 82.5° | 87.1° |
| O05 | CO1 | O10 | 172.4° | 172.7° |
| O05 | CO1 | O06 | 94.8° | 80.2° |
| O05 | CO1 | O08 | 96.5° | 88.5° |
| O05 | CO1 | N04 | 86.4° | 93.4° |
| O05 | CO2 | O12 | 89.9° | 90.6° |
| O05 | CO2 | O06 | 86.9° | 78.7° |
| O05 | CO2 | O09 | 87.4° | 79.6° |
| O05 | CO2 | N05 | 164.3° | 176.2° |
| CO1 | O07 | CO3 | 85.7° | 80.4° |
| O07 | CO1 | O10 | 102.4° | 94.1° |
| O07 | CO1 | O06 | 88.8° | 95.1° |
| O07 | CO1 | O08 | 177.1° | 175.1° |
| O07 | CO1 | N04 | 94.8° | 91.6° |
| O07 | CO3 | O12 | 82.2° | 82.5° |
| O07 | CO3 | O11 | 100.2° | 85.3° |
| O07 | CO3 | O06 | 91.6° | 100.4° |
| O07 | CO3 | N06 | 166.0° | 162.9° |
| C44 | N07 | C40 | 119.9° | 116.2° |
| N07 | C44 | C43 | 115.5° | 123.4° |
| N07 | C44 | H22 | 122.3° | 118.4° |
| N07 | C40 | C41 | 123.4° | 123.5° |
| N07 | C40 | H26 | 118.3° | 118.1° |
| C44 | C43 | C42 | 121.2° | 118.8° |
| C43 | C44 | H22 | 122.2° | 118.2° |
| C44 | C43 | H23 | 119.4° | 120.5° |
| C43 | C42 | C41 | 120.5° | 119.3° |
| C42 | C43 | H23 | 119.4° | 120.7° |
| C43 | C42 | H24 | 119.8° | 120.4° |
| C42 | C41 | C40 | 119.4° | 118.7° |
| C41 | C42 | H24 | 119.8° | 120.4° |
| C42 | C41 | H25 | 120.3° | 120.6° |
| C40 | C41 | H25 | 120.3° | 120.6° |
| C41 | C40 | H26 | 118.3° | 118.3° |
| O10 | CO1 | O06 | 79.7° | 92.5° |
| O10 | CO1 | O08 | 78.3° | 90.5° |
| CO1 | O10 | C16 | 124.4° | 112.5° |
| O10 | CO1 | N04 | 98.8° | 93.8° |
| O06 | CO1 | O08 | 88.6° | 86.5° |
| CO1 | O06 | CO3 | 92.9° | 79.9° |
| CO1 | O06 | CO2 | 88.8° | 99.5° |
| O06 | CO1 | N04 | 176.3° | 170.5° |
| O08 | CO1 | N04 | 87.8° | 86.4° |
| CO1 | O08 | H21 | 109.5° | 109.5° |
| CO1 | O08 | H37 | 109.4° | 109.4° |
| C22 | N04 | C18 | 120.6° | 116.7° |
| N04 | C22 | C21 | 116.9° | 123.2° |
| C22 | N04 | CO1 | 120.4° | 121.7° |
| N04 | C22 | H27 | 121.5° | 118.1° |
| N04 | C18 | C19 | 122.6° | 123.3° |
| C18 | N04 | CO1 | 118.9° | 121.6° |
| N04 | C18 | H31 | 118.7° | 118.2° |
| C22 | C21 | C20 | 118.3° | 118.7° |
| C21 | C22 | H27 | 121.6° | 118.6° |
| C22 | C21 | H28 | 120.8° | 120.5° |
| C21 | C20 | C19 | 121.9° | 119.4° |
| C20 | C21 | H28 | 120.8° | 120.8° |
| C21 | C20 | H29 | 119.1° | 120.3° |
| C20 | C19 | C18 | 119.6° | 118.7° |
| C19 | C20 | H29 | 119.0° | 120.3° |
| C20 | C19 | H30 | 120.2° | 120.7° |
| C18 | C19 | H30 | 120.2° | 120.5° |
| C19 | C18 | H31 | 118.7° | 118.5° |
| CO3 | O12 | CO2 | 92.3° | 89.8° |
| O12 | CO3 | O11 | 171.9° | 164.3° |
| O12 | CO3 | O06 | 91.2° | 91.0° |
| O12 | CO3 | N06 | 109.9° | 101.7° |
| O12 | CO2 | O06 | 82.8° | 89.0° |
| O12 | CO2 | O09 | 176.8° | 169.7° |
| O12 | CO2 | N05 | 75.9° | 92.5° |
| O11 | CO3 | O06 | 81.0° | 100.8° |
| CO3 | O11 | C16 | 124.5° | 110.3° |
| O11 | CO3 | N06 | 68.9° | 87.3° |
| CO3 | O06 | CO2 | 93.7° | 90.2° |
| O06 | CO3 | N06 | 95.1° | 96.1° |
| C34 | N06 | C28 | 121.0° | 116.7° |
| N06 | C34 | C35 | 120.3° | 123.4° |
| C34 | N06 | CO3 | 124.2° | 121.2° |
| N06 | C34 | H32 | 119.9° | 118.2° |
| N06 | C28 | C29 | 118.3° | 123.2° |
| C28 | N06 | CO3 | 114.8° | 122.1° |
| N06 | C28 | H36 | 120.9° | 118.2° |
| C34 | C35 | C30 | 122.1° | 118.7° |
| C35 | C34 | H32 | 119.9° | 118.4° |
| C34 | C35 | H33 | 118.9° | 120.6° |
| C35 | C30 | C29 | 121.3° | 119.3° |
| C30 | C35 | H33 | 118.9° | 120.7° |
| C35 | C30 | H34 | 119.4° | 120.4° |
| C30 | C29 | C28 | 117.0° | 118.7° |
| C29 | C30 | H34 | 119.4° | 120.4° |
| C30 | C29 | H35 | 121.5° | 120.7° |
| C28 | C29 | H35 | 121.5° | 120.6° |
| C29 | C28 | H36 | 120.8° | 118.6° |
| O11 | C16 | C17 | 123.6° | 118.2° |
| O11 | C16 | O10 | 119.3° | 124.1° |
| C17 | C16 | O10 | 117.1° | 117.6° |
| C16 | C17 | H38 | 109.5° | 109.8° |
| C16 | C17 | H39 | 109.5° | 109.7° |
| C16 | C17 | H40 | 109.5° | 109.6° |
| O06 | CO2 | O09 | 98.8° | 92.2° |
| O06 | CO2 | N05 | 97.8° | 103.6° |
| O09 | CO2 | N05 | 106.5° | 97.2° |
| CO2 | O09 | H41 | 109.5° | 109.5° |
| CO2 | O09 | H42 | 109.5° | 109.5° |
| CO2 | N05 | C32 | 119.6° | 122.8° |
| CO2 | N05 | C24 | 122.5° | 120.5° |
| C32 | N05 | C24 | 117.8° | 116.2° |
| N05 | C32 | C33 | 124.1° | 123.6° |
| N05 | C32 | H44 | 118.0° | 118.2° |
| N05 | C24 | C25 | 121.3° | 123.5° |
| N05 | C24 | H48 | 119.4° | 118.2° |
| C32 | C33 | C26 | 117.9° | 118.7° |
| C33 | C32 | H44 | 118.0° | 118.2° |
| C32 | C33 | H45 | 121.1° | 120.5° |
| C33 | C26 | C25 | 118.4° | 119.3° |
| C26 | C33 | H45 | 121.1° | 120.7° |
| C33 | C26 | H46 | 120.8° | 120.4° |
| C26 | C25 | C24 | 120.6° | 118.8° |
| C25 | C26 | H46 | 120.8° | 120.3° |
| C26 | C25 | H47 | 119.7° | 120.7° |
| C24 | C25 | H47 | 119.7° | 120.5° |
| C25 | C24 | H48 | 119.4° | 118.4° |
| H3 | C10 | H4 | 109.5° | 108.5° |
| H8 | C08 | H9 | 109.4° | 107.2° |
| H10 | C07 | H11 | 109.4° | 107.3° |
| H12 | C06 | H13 | 109.5° | 107.1° |
| H14 | C05 | H15 | 109.5° | 107.5° |
| H17 | C02 | H18 | 109.5° | 107.8° |
| H19 | C37 | H20 | 109.5° | 107.7° |
| H38 | C17 | H39 | 109.4° | 109.3° |
| H38 | C17 | H40 | 109.5° | 109.2° |
| H39 | C17 | H40 | 109.5° | 109.2° |
| H21 | O08 | H37 | 109.5° | 107.4° |
| H41 | O09 | H42 | 109.5° | 107.4° |
| H43 | O15 | H49 | 109.4° | 107.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O04 | C13 | N03 | N02 | 174.6° | 179.6° |
| O04 | C13 | N03 | C11 | 177.6° | 177.9° |
| O04 | C13 | N02 | C12 | 178.4° | 178.6° |
| O04 | C13 | N03 | H1 | 2.4° | 2.0° |
| O04 | C13 | N02 | H5 | 1.6° | 0.4° |
| C13 | N03 | C11 | H1 | 180.0° | 179.9° |
| C13 | N03 | C11 | C10 | 112.1° | 113.3° |
| C13 | N03 | C11 | C12 | 1.0° | 4.5° |
| N03 | C13 | N02 | C12 | 3.8° | 1.0° |
| C13 | N03 | C11 | H2 | 121.0° | 122.4° |
| N03 | C13 | N02 | H5 | 176.2° | 179.9° |
| N02 | C13 | N03 | C11 | 3.0° | 2.5° |
| C13 | N02 | C12 | C11 | 2.9° | 3.6° |
| C13 | N02 | C12 | H5 | 180.0° | 179.0° |
| C13 | N02 | C12 | C09 | 113.9° | 121.1° |
| N02 | C13 | N03 | H1 | 177.0° | 177.6° |
| C13 | N02 | C12 | H6 | 120.4° | 113.2° |
| N03 | C11 | C10 | C12 | 111.3° | 113.8° |
| N03 | C11 | C10 | H2 | 127.8° | 124.1° |
| N03 | C11 | C12 | H2 | 121.6° | 117.5° |
| N03 | C11 | C10 | S01 | 82.6° | 88.9° |
| N03 | C11 | C12 | N02 | 1.1° | 4.6° |
| N03 | C11 | C12 | C09 | 117.5° | 127.8° |
| N03 | C11 | C10 | H3 | 157.6° | 31.1° |
| N03 | C11 | C10 | H4 | 37.1° | 151.1° |
| N03 | C11 | C12 | H6 | 119.8° | 111.8° |
| C10 | C11 | C12 | H2 | 121.4° | 122.1° |
| C11 | C10 | S01 | H3 | 119.7° | 119.9° |
| C11 | C10 | S01 | H4 | 119.8° | 119.9° |
| C11 | C10 | S01 | C09 | 41.3° | 40.9° |
| C10 | C11 | C12 | N02 | 118.1° | 115.8° |
| C10 | C11 | C12 | C09 | 0.5° | 7.4° |
| C10 | C11 | N03 | H1 | 68.0° | 66.6° |
| C11 | C10 | H3 | H4 | 120.7° | 121.1° |
| C10 | C11 | C12 | H6 | 123.2° | 127.8° |
| C12 | C11 | C10 | S01 | 28.7° | 24.9° |
| C11 | C12 | C09 | S01 | 29.1° | 35.5° |
| C11 | C12 | N02 | C09 | 116.8° | 117.4° |
| C11 | C12 | N02 | H6 | 117.4° | 116.9° |
| C11 | C12 | C09 | H6 | 122.3° | 120.5° |
| C11 | C12 | C09 | C08 | 163.2° | 159.8° |
| C12 | C11 | N03 | H1 | 179.0° | 175.6° |
| C12 | C11 | C10 | H3 | 91.1° | 144.9° |
| C12 | C11 | C10 | H4 | 148.4° | 95.1° |
| C11 | C12 | N02 | H5 | 177.1° | 177.4° |
| C11 | C12 | C09 | H7 | 80.6° | 78.0° |
| C10 | S01 | C09 | C12 | 40.3° | 44.0° |
| C10 | S01 | C09 | C08 | 171.5° | 172.7° |
| S01 | C10 | C11 | H2 | 149.6° | 147.0° |
| S01 | C10 | H3 | H4 | 120.8° | 121.3° |
| C10 | S01 | C09 | H7 | 71.0° | 69.2° |
| S01 | C09 | C12 | N02 | 82.2° | 78.6° |
| S01 | C09 | C12 | C08 | 134.1° | 124.4° |
| S01 | C09 | C12 | H7 | 109.7° | 113.4° |
| S01 | C09 | C08 | H7 | 116.6° | 118.2° |
| S01 | C09 | C08 | C07 | 68.6° | 75.7° |
| C09 | S01 | C10 | H3 | 78.4° | 160.8° |
| C09 | S01 | C10 | H4 | 161.1° | 79.0° |
| S01 | C09 | C12 | H6 | 151.4° | 155.9° |
| S01 | C09 | C08 | H8 | 51.5° | 162.2° |
| S01 | C09 | C08 | H9 | 171.3° | 46.4° |
| N02 | C12 | C09 | H6 | 126.4° | 125.4° |
| N02 | C12 | C09 | C08 | 51.9° | 45.7° |
| N02 | C12 | C11 | H2 | 120.5° | 122.0° |
| N02 | C12 | C09 | H7 | 168.1° | 167.9° |
| C12 | C09 | C08 | H7 | 116.3° | 122.1° |
| C12 | C09 | C08 | C07 | 164.3° | 164.6° |
| C09 | C12 | C11 | H2 | 120.9° | 114.7° |
| C09 | C12 | N02 | H5 | 66.1° | 59.9° |
| C12 | C09 | C08 | H8 | 75.6° | 42.5° |
| C12 | C09 | C08 | H9 | 44.2° | 73.3° |
| C09 | C08 | C07 | H8 | 120.1° | 122.1° |
| C09 | C08 | C07 | H9 | 120.1° | 122.0° |
| C09 | C08 | C07 | C06 | 174.5° | 175.2° |
| C08 | C09 | C12 | H6 | 74.5° | 79.7° |
| C09 | C08 | H8 | H9 | 119.8° | 116.4° |
| C09 | C08 | C07 | H10 | 65.5° | 63.1° |
| C09 | C08 | C07 | H11 | 54.6° | 53.6° |
| C08 | C07 | C06 | H10 | 120.0° | 121.9° |
| C08 | C07 | C06 | H11 | 120.0° | 121.9° |
| C08 | C07 | C06 | C05 | 178.1° | 176.2° |
| C07 | C08 | C09 | H7 | 47.9° | 42.5° |
| C07 | C08 | H8 | H9 | 119.8° | 116.6° |
| C08 | C07 | H10 | H11 | 120.2° | 117.7° |
| C08 | C07 | C06 | H12 | 61.4° | 53.9° |
| C08 | C07 | C06 | H13 | 57.5° | 61.7° |
| C07 | C06 | C05 | H12 | 120.5° | 122.2° |
| C07 | C06 | C05 | H13 | 120.5° | 122.0° |
| C07 | C06 | C05 | C01 | 65.9° | 77.2° |
| C06 | C07 | C08 | H8 | 54.4° | 53.1° |
| C06 | C07 | C08 | H9 | 65.4° | 62.8° |
| C06 | C07 | H10 | H11 | 120.2° | 116.9° |
| C07 | C06 | H12 | H13 | 118.4° | 116.4° |
| C07 | C06 | C05 | H14 | 54.0° | 162.0° |
| C07 | C06 | C05 | H15 | 174.2° | 44.8° |
| C06 | C05 | C01 | H14 | 119.9° | 120.8° |
| C06 | C05 | C01 | H15 | 119.9° | 122.1° |
| C06 | C05 | C01 | O01 | 44.4° | 87.4° |
| C06 | C05 | C01 | N01 | 140.4° | 92.5° |
| C05 | C06 | C07 | H10 | 58.1° | 61.9° |
| C05 | C06 | C07 | H11 | 62.0° | 54.2° |
| C05 | C06 | H12 | H13 | 118.4° | 116.7° |
| C06 | C05 | H14 | H15 | 120.4° | 118.3° |
| C05 | C01 | O01 | N01 | 174.7° | 179.9° |
| C05 | C01 | N01 | C02 | 178.2° | 178.8° |
| C01 | C05 | C06 | H12 | 173.6° | 45.0° |
| C01 | C05 | C06 | H13 | 54.6° | 160.8° |
| C01 | C05 | H14 | H15 | 120.3° | 118.2° |
| C05 | C01 | N01 | H16 | 1.8° | 0.9° |
| O01 | C01 | N01 | C02 | 6.8° | 1.1° |
| O01 | C01 | C05 | H14 | 164.3° | 33.4° |
| O01 | C01 | C05 | H15 | 75.5° | 150.6° |
| O01 | C01 | N01 | H16 | 173.2° | 179.2° |
| C01 | N01 | C02 | H16 | 180.0° | 179.8° |
| C01 | N01 | C02 | C37 | 98.7° | 80.8° |
| N01 | C01 | C05 | H14 | 20.5° | 146.6° |
| N01 | C01 | C05 | H15 | 99.7° | 29.5° |
| C01 | N01 | C02 | H17 | 20.4° | 157.9° |
| C01 | N01 | C02 | H18 | 142.2° | 40.6° |
| N01 | C02 | C37 | H17 | 119.1° | 121.1° |
| N01 | C02 | C37 | H18 | 119.1° | 121.2° |
| N01 | C02 | C37 | C04 | 165.1° | 166.5° |
| N01 | C02 | H17 | H18 | 122.7° | 118.1° |
| N01 | C02 | C37 | H19 | 75.2° | 45.2° |
| N01 | C02 | C37 | H20 | 45.3° | 72.4° |
| C02 | C37 | C04 | H19 | 119.7° | 121.7° |
| C02 | C37 | C04 | H20 | 119.8° | 121.5° |
| C02 | C37 | C04 | O14 | 166.4° | 90.5° |
| C02 | C37 | C04 | O03 | 9.1° | 90.0° |
| C37 | C02 | N01 | H16 | 81.3° | 99.4° |
| C37 | C02 | H17 | H18 | 122.7° | 118.6° |
| C02 | C37 | H19 | H20 | 120.8° | 118.6° |
| C37 | C04 | O14 | O03 | 174.9° | 179.4° |
| C37 | C04 | O14 | CO2 | 179.0° | 162.5° |
| C37 | C04 | O03 | CO4 | 179.5° | 145.3° |
| C04 | C37 | C02 | H17 | 46.0° | 72.4° |
| C04 | C37 | C02 | H18 | 75.8° | 45.3° |
| C04 | C37 | H19 | H20 | 120.8° | 117.2° |
| O14 | C04 | O03 | CO4 | 5.0° | 35.3° |
| C04 | O14 | CO2 | O05 | 43.7° | 3.1° |
| C04 | O14 | CO2 | O12 | 46.3° | 86.9° |
| C04 | O14 | CO2 | O06 | 4.2° | 51.4° |
| C04 | O14 | CO2 | O09 | 131.0° | 83.0° |
| C04 | O14 | CO2 | N05 | 121.4° | 179.7° |
| O14 | C04 | C37 | H19 | 73.9° | 31.2° |
| O14 | C04 | C37 | H20 | 46.6° | 148.0° |
| O03 | C04 | O14 | CO2 | 4.1° | 17.0° |
| C04 | O03 | CO4 | O05 | 47.0° | 101.1° |
| C04 | O03 | CO4 | O07 | 24.0° | 103.3° |
| C04 | O03 | CO4 | N07 | 134.7° | 152.3° |
| C04 | O03 | CO4 | O12 | 50.0° | 13.2° |
| C04 | O03 | CO4 | O15 | 133.4° | 67.8° |
| O03 | C04 | C37 | H19 | 110.7° | 148.3° |
| O03 | C04 | C37 | H20 | 128.8° | 31.5° |
| O14 | CO2 | O05 | CO4 | 84.2° | 67.5° |
| O14 | CO2 | O12 | CO4 | 80.3° | 80.4° |
| O14 | CO2 | O05 | CO1 | 178.5° | 160.3° |
| O14 | CO2 | O05 | O12 | 95.3° | 84.3° |
| O14 | CO2 | O05 | O06 | 178.1° | 173.2° |
| O14 | CO2 | O05 | O09 | 83.0° | 92.5° |
| O14 | CO2 | O05 | N05 | 70.2° | 59.1° |
| O14 | CO2 | O06 | CO1 | 51.3° | 43.2° |
| O14 | CO2 | O12 | CO3 | 177.5° | 176.4° |
| O14 | CO2 | O12 | O06 | 178.2° | 175.2° |
| O14 | CO2 | O12 | O09 | 58.2° | 78.4° |
| O14 | CO2 | O12 | N05 | 81.8° | 81.2° |
| O14 | CO2 | O06 | CO3 | 41.6° | 36.6° |
| O14 | CO2 | O06 | O09 | 134.9° | 134.4° |
| O14 | CO2 | O06 | N05 | 116.9° | 127.6° |
| O14 | CO2 | O09 | N05 | 81.0° | 81.9° |
| O14 | CO2 | N05 | C32 | 127.7° | 88.2° |
| O14 | CO2 | N05 | C24 | 49.5° | 83.1° |
| O14 | CO2 | O09 | H41 | 180.0° | 20.6° |
| O14 | CO2 | O09 | H42 | 60.0° | 138.1° |
| O03 | CO4 | O05 | O07 | 178.1° | 179.1° |
| O03 | CO4 | O05 | N07 | 87.0° | 83.3° |
| O03 | CO4 | O05 | O12 | 93.5° | 101.1° |
| O03 | CO4 | O05 | O15 | 13.4° | 48.2° |
| O03 | CO4 | O07 | N07 | 110.4° | 103.0° |
| O03 | CO4 | O07 | O12 | 74.3° | 94.9° |
| O03 | CO4 | O07 | O15 | 157.3° | 171.1° |
| O03 | CO4 | N07 | O12 | 95.5° | 127.7° |
| O03 | CO4 | N07 | O15 | 88.1° | 102.6° |
| O03 | CO4 | O12 | O15 | 87.8° | 100.8° |
| O03 | CO4 | O05 | CO1 | 170.6° | 176.5° |
| O03 | CO4 | O05 | CO2 | 81.9° | 84.9° |
| O03 | CO4 | O07 | CO1 | 16.1° | 0.6° |
| O03 | CO4 | O07 | CO3 | 69.9° | 80.0° |
| O03 | CO4 | N07 | C44 | 8.2° | 15.4° |
| O03 | CO4 | N07 | C40 | 166.7° | 173.1° |
| O03 | CO4 | O12 | CO3 | 170.7° | 139.6° |
| O03 | CO4 | O12 | CO2 | 78.8° | 50.2° |
| O03 | CO4 | O15 | H43 | 180.0° | 0.8° |
| O03 | CO4 | O15 | H49 | 60.0° | 116.9° |
| O05 | CO4 | O07 | N07 | 87.4° | 105.0° |
| O05 | CO4 | O07 | O12 | 97.3° | 92.9° |
| O05 | CO4 | O07 | O15 | 179.7° | 169.1° |
| O05 | CO4 | N07 | O12 | 174.0° | 165.8° |
| O05 | CO4 | N07 | O15 | 178.5° | 169.1° |
| O05 | CO4 | O12 | O15 | 178.5° | 168.2° |
| CO4 | O05 | CO1 | CO2 | 84.8° | 85.9° |
| O05 | CO4 | O07 | CO1 | 6.9° | 2.6° |
| O05 | CO4 | O07 | CO3 | 93.0° | 78.0° |
| O05 | CO4 | N07 | C44 | 82.3° | 81.8° |
| O05 | CO4 | N07 | C40 | 102.8° | 106.6° |
| CO4 | O05 | CO1 | O10 | 124.0° | 102.4° |
| CO4 | O05 | CO1 | O06 | 81.2° | 98.3° |
| CO4 | O05 | CO1 | O08 | 170.3° | 175.1° |
| O05 | CO4 | O12 | CO3 | 79.9° | 72.2° |
| O05 | CO4 | O12 | CO2 | 11.9° | 17.2° |
| CO4 | O05 | CO2 | O06 | 93.8° | 105.6° |
| CO4 | O05 | CO2 | O09 | 167.2° | 160.0° |
| CO4 | O05 | CO2 | N05 | 14.1° | 126.6° |
| CO4 | O05 | CO1 | N04 | 102.3° | 88.8° |
| O05 | CO4 | O15 | H43 | 166.6° | 44.0° |
| O05 | CO4 | O15 | H49 | 73.4° | 161.7° |
| O07 | CO4 | N07 | O12 | 88.9° | 76.8° |
| O07 | CO4 | N07 | O15 | 96.4° | 101.9° |
| O07 | CO4 | O12 | O15 | 96.8° | 104.8° |
| O07 | CO4 | O05 | CO2 | 96.3° | 96.0° |
| CO4 | O07 | CO1 | CO3 | 94.6° | 97.4° |
| O07 | CO4 | N07 | C44 | 167.4° | 170.9° |
| O07 | CO4 | N07 | C40 | 17.7° | 17.6° |
| CO4 | O07 | CO1 | O10 | 166.9° | 175.3° |
| CO4 | O07 | CO1 | O06 | 87.7° | 82.4° |
| CO4 | O07 | CO1 | O08 | 62.3° | 25.7° |
| O07 | CO4 | O12 | CO3 | 4.8° | 14.8° |
| O07 | CO4 | O12 | CO2 | 96.6° | 104.2° |
| CO4 | O07 | CO3 | O11 | 167.6° | 174.5° |
| CO4 | O07 | CO3 | O06 | 86.4° | 74.4° |
| CO4 | O07 | CO1 | N04 | 92.9° | 90.8° |
| CO4 | O07 | CO3 | N06 | 155.0° | 121.0° |
| O07 | CO4 | O15 | H43 | 1.8° | 175.3° |
| O07 | CO4 | O15 | H49 | 118.2° | 67.0° |
| N07 | CO4 | O12 | O15 | 7.5° | 25.5° |
| N07 | CO4 | O05 | CO1 | 102.5° | 93.2° |
| N07 | CO4 | O05 | CO2 | 168.8° | 168.2° |
| N07 | CO4 | O07 | CO1 | 94.3° | 102.5° |
| N07 | CO4 | O07 | CO3 | 179.7° | 177.0° |
| CO4 | N07 | C44 | C40 | 175.4° | 171.8° |
| CO4 | N07 | C44 | C43 | 179.7° | 171.5° |
| CO4 | N07 | C40 | C41 | 179.3° | 171.8° |
| N07 | CO4 | O12 | CO3 | 94.1° | 94.1° |
| N07 | CO4 | O12 | CO2 | 174.1° | 176.4° |
| CO4 | N07 | C44 | H22 | 0.3° | 8.1° |
| CO4 | N07 | C40 | H26 | 0.7° | 7.8° |
| N07 | CO4 | O15 | H43 | 93.1° | 89.5° |
| N07 | CO4 | O15 | H49 | 146.9° | 28.3° |
| O12 | CO4 | O05 | CO1 | 77.0° | 82.4° |
| O12 | CO4 | O07 | CO1 | 90.4° | 95.4° |
| O12 | CO4 | N07 | C44 | 103.7° | 112.4° |
| O12 | CO4 | N07 | C40 | 71.2° | 59.2° |
| CO4 | O12 | CO3 | CO2 | 86.3° | 86.7° |
| CO4 | O12 | CO3 | O11 | 102.9° | 53.9° |
| CO4 | O12 | CO3 | O06 | 87.1° | 85.4° |
| CO4 | O12 | CO2 | O06 | 97.9° | 94.8° |
| CO4 | O12 | CO2 | O09 | 22.2° | 1.9° |
| CO4 | O12 | CO2 | N05 | 162.2° | 161.6° |
| CO4 | O12 | CO3 | N06 | 177.1° | 178.2° |
| O12 | CO4 | O15 | H43 | 86.3° | 98.3° |
| O12 | CO4 | O15 | H49 | 33.7° | 144.0° |
| O15 | CO4 | O05 | CO1 | 176.0° | 135.3° |
| O15 | CO4 | O05 | CO2 | 95.3° | 36.7° |
| O15 | CO4 | O07 | CO1 | 173.4° | 171.6° |
| O15 | CO4 | O07 | CO3 | 87.3° | 91.1° |
| O15 | CO4 | N07 | C44 | 96.3° | 87.3° |
| O15 | CO4 | N07 | C40 | 78.6° | 84.3° |
| O15 | CO4 | O12 | CO3 | 101.6° | 119.6° |
| O15 | CO4 | O12 | CO2 | 166.6° | 151.0° |
| CO4 | O15 | H43 | H49 | 120.0° | 119.3° |
| O05 | CO1 | O07 | O10 | 174.1° | 172.8° |
| O05 | CO1 | O07 | O06 | 95.0° | 79.9° |
| O05 | CO1 | O07 | O08 | 69.5° | 28.2° |
| O05 | CO1 | O07 | N04 | 85.7° | 93.3° |
| O05 | CO1 | O07 | CO3 | 101.9° | 94.8° |
| O05 | CO1 | O10 | O06 | 43.5° | 4.1° |
| O05 | CO1 | O10 | O08 | 47.2° | 82.4° |
| O05 | CO1 | O10 | N04 | 133.1° | 168.8° |
| O05 | CO1 | O06 | O08 | 96.4° | 89.1° |
| O05 | CO1 | O06 | N04 | 108.1° | 48.0° |
| O05 | CO1 | O08 | N04 | 86.1° | 93.5° |
| O05 | CO1 | N04 | C22 | 160.2° | 153.4° |
| O05 | CO1 | N04 | C18 | 23.1° | 26.7° |
| CO1 | O05 | CO2 | O12 | 86.2° | 76.1° |
| O05 | CO1 | O06 | CO3 | 89.9° | 101.5° |
| O05 | CO1 | O10 | C16 | 84.6° | 39.4° |
| CO1 | O05 | CO2 | O06 | 3.5° | 12.8° |
| CO1 | O05 | CO2 | O09 | 95.5° | 107.2° |
| CO1 | O05 | CO2 | N05 | 111.4° | 140.6° |
| O05 | CO1 | O08 | H21 | 180.0° | 70.4° |
| O05 | CO1 | O08 | H37 | 60.0° | 172.2° |
| CO2 | O05 | CO1 | O07 | 91.7° | 83.3° |
| CO2 | O05 | CO1 | O10 | 39.3° | 16.5° |
| CO2 | O05 | CO1 | O08 | 85.6° | 99.0° |
| O05 | CO2 | O12 | CO3 | 86.2° | 79.9° |
| O05 | CO2 | O12 | O06 | 86.9° | 78.7° |
| O05 | CO2 | O12 | O09 | 33.2° | 18.1° |
| O05 | CO2 | O12 | N05 | 173.2° | 177.7° |
| O05 | CO2 | O06 | CO3 | 89.6° | 92.1° |
| O05 | CO2 | O06 | O09 | 86.9° | 79.0° |
| O05 | CO2 | O06 | N05 | 164.9° | 176.9° |
| O05 | CO2 | O09 | N05 | 172.7° | 177.9° |
| O05 | CO2 | N05 | C32 | 56.5° | 147.8° |
| O05 | CO2 | N05 | C24 | 120.7° | 23.6° |
| CO2 | O05 | CO1 | N04 | 172.9° | 174.7° |
| O05 | CO2 | O09 | H41 | 88.3° | 116.5° |
| O05 | CO2 | O09 | H42 | 31.7° | 125.9° |
| O07 | CO1 | O10 | O06 | 86.4° | 95.3° |
| O07 | CO1 | O10 | O08 | 177.2° | 178.2° |
| O07 | CO1 | O10 | N04 | 97.0° | 91.8° |
| O07 | CO1 | O06 | O08 | 178.8° | 175.3° |
| O07 | CO1 | O06 | N04 | 169.5° | 134.2° |
| O07 | CO1 | O08 | N04 | 155.3° | 65.3° |
| O07 | CO1 | N04 | C22 | 78.0° | 66.2° |
| O07 | CO1 | N04 | C18 | 105.3° | 113.9° |
| CO1 | O07 | CO3 | O12 | 98.3° | 105.8° |
| CO1 | O07 | CO3 | O11 | 73.8° | 84.0° |
| CO1 | O07 | CO3 | O06 | 7.3° | 16.2° |
| O07 | CO1 | O10 | C16 | 45.3° | 60.0° |
| O07 | CO1 | O06 | CO2 | 86.1° | 73.2° |
| CO1 | O07 | CO3 | N06 | 111.2° | 148.5° |
| O07 | CO1 | O08 | H21 | 110.8° | 98.6° |
| O07 | CO1 | O08 | H37 | 129.2° | 144.0° |
| CO3 | O07 | CO1 | O10 | 72.3° | 77.9° |
| CO3 | O07 | CO1 | O08 | 32.3° | 123.1° |
| O07 | CO3 | O12 | O11 | 107.3° | 38.9° |
| O07 | CO3 | O12 | O06 | 91.4° | 100.3° |
| O07 | CO3 | O12 | N06 | 172.7° | 163.2° |
| O07 | CO3 | O12 | CO2 | 90.7° | 101.6° |
| O07 | CO3 | O11 | O06 | 90.0° | 99.7° |
| O07 | CO3 | O11 | N06 | 171.0° | 164.6° |
| O07 | CO3 | O06 | N06 | 167.7° | 175.5° |
| O07 | CO3 | N06 | C34 | 116.1° | 144.9° |
| O07 | CO3 | N06 | C28 | 63.3° | 32.6° |
| O07 | CO3 | O11 | C16 | 51.9° | 86.6° |
| O07 | CO3 | O06 | CO2 | 81.4° | 83.8° |
| CO3 | O07 | CO1 | N04 | 172.4° | 171.8° |
| N07 | C44 | C43 | H22 | 180.0° | 179.6° |
| N07 | C44 | C43 | C42 | 1.0° | 0.2° |
| C44 | N07 | C40 | C41 | 4.7° | 0.4° |
| N07 | C44 | C43 | H23 | 179.0° | 179.8° |
| C44 | N07 | C40 | H26 | 175.3° | 180.0° |
| C40 | N07 | C44 | C43 | 4.4° | 0.4° |
| N07 | C40 | C41 | C42 | 1.1° | 0.2° |
| N07 | C40 | C41 | H26 | 180.0° | 179.7° |
| C40 | N07 | C44 | H22 | 175.6° | 180.0° |
| N07 | C40 | C41 | H25 | 178.9° | 179.8° |
| C44 | C43 | C42 | H23 | 180.0° | 180.0° |
| C44 | C43 | C42 | C41 | 2.6° | 0.0° |
| C44 | C43 | C42 | H24 | 177.4° | 179.9° |
| C43 | C42 | C41 | H24 | 180.0° | 180.0° |
| C43 | C42 | C41 | C40 | 2.5° | 0.0° |
| C42 | C43 | C44 | H22 | 179.0° | 179.8° |
| C43 | C42 | C41 | H25 | 177.5° | 180.0° |
| C42 | C41 | C40 | H25 | 180.0° | 180.0° |
| C41 | C42 | C43 | H23 | 177.5° | 180.0° |
| C42 | C41 | C40 | H26 | 178.9° | 179.9° |
| C40 | C41 | C42 | H24 | 177.5° | 179.9° |
| O10 | CO1 | O06 | O08 | 78.4° | 90.4° |
| O10 | CO1 | O06 | N04 | 66.7° | 131.4° |
| O10 | CO1 | O08 | N04 | 99.5° | 93.7° |
| O10 | CO1 | N04 | C22 | 25.4° | 28.0° |
| O10 | CO1 | N04 | C18 | 151.3° | 151.9° |
| O10 | CO1 | O06 | CO3 | 95.3° | 79.0° |
| CO1 | O10 | C16 | O11 | 6.0° | 52.4° |
| CO1 | O10 | C16 | C17 | 176.4° | 127.9° |
| O10 | CO1 | O06 | CO2 | 171.0° | 167.5° |
| O10 | CO1 | O08 | H21 | 5.6° | 102.4° |
| O10 | CO1 | O08 | H37 | 125.6° | 15.1° |
| O06 | CO1 | O08 | N04 | 179.3° | 173.8° |
| O06 | CO1 | N04 | C22 | 91.5° | 159.4° |
| O06 | CO1 | N04 | C18 | 85.2° | 20.5° |
| CO1 | O06 | CO3 | O12 | 89.7° | 98.3° |
| CO1 | O06 | CO2 | O12 | 93.6° | 78.5° |
| CO1 | O06 | CO3 | O11 | 92.5° | 71.3° |
| CO1 | O06 | CO3 | CO2 | 88.9° | 99.6° |
| O06 | CO1 | O10 | C16 | 41.1° | 35.3° |
| CO1 | O06 | CO2 | O09 | 83.6° | 91.3° |
| CO1 | O06 | CO2 | N05 | 168.2° | 170.8° |
| CO1 | O06 | CO3 | N06 | 160.2° | 159.8° |
| O06 | CO1 | O08 | H21 | 85.3° | 9.9° |
| O06 | CO1 | O08 | H37 | 154.6° | 107.6° |
| O08 | CO1 | N04 | C22 | 103.2° | 118.3° |
| O08 | CO1 | N04 | C18 | 73.5° | 61.6° |
| O08 | CO1 | O06 | CO3 | 173.7° | 169.4° |
| O08 | CO1 | O10 | C16 | 131.9° | 121.8° |
| O08 | CO1 | O06 | CO2 | 92.7° | 102.2° |
| CO1 | O08 | H21 | H37 | 120.0° | 118.7° |
| C22 | N04 | C18 | CO1 | 176.7° | 179.9° |
| N04 | C22 | C21 | H27 | 180.0° | 179.8° |
| N04 | C22 | C21 | C20 | 0.3° | 0.1° |
| C22 | N04 | C18 | C19 | 4.0° | 0.1° |
| N04 | C22 | C21 | H28 | 179.7° | 179.9° |
| C22 | N04 | C18 | H31 | 176.0° | 179.9° |
| C18 | N04 | C22 | C21 | 2.0° | 0.1° |
| N04 | C18 | C19 | C20 | 4.0° | 0.1° |
| N04 | C18 | C19 | H31 | 180.0° | 180.0° |
| C18 | N04 | C22 | H27 | 178.0° | 180.0° |
| N04 | C18 | C19 | H30 | 175.9° | 180.0° |
| C22 | C21 | C20 | H28 | 180.0° | 180.0° |
| C22 | C21 | C20 | C19 | 0.4° | 0.0° |
| C21 | C22 | N04 | CO1 | 178.6° | 180.0° |
| C22 | C21 | C20 | H29 | 179.6° | 180.0° |
| C21 | C20 | C19 | H29 | 180.0° | 180.0° |
| C21 | C20 | C19 | C18 | 2.2° | 0.0° |
| C20 | C21 | C22 | H27 | 179.7° | 179.9° |
| C21 | C20 | C19 | H30 | 177.7° | 179.9° |
| C20 | C19 | C18 | H30 | 180.0° | 179.9° |
| C19 | C20 | C21 | H28 | 179.6° | 179.9° |
| C20 | C19 | C18 | H31 | 176.0° | 179.9° |
| C19 | C18 | N04 | CO1 | 179.3° | 180.0° |
| C18 | C19 | C20 | H29 | 177.8° | 180.0° |
| O12 | CO3 | O11 | O06 | 16.0° | 138.4° |
| O12 | CO3 | O11 | N06 | 83.0° | 125.9° |
| O12 | CO3 | O06 | N06 | 110.1° | 101.9° |
| O12 | CO3 | N06 | C34 | 95.1° | 112.3° |
| O12 | CO3 | N06 | C28 | 85.4° | 70.2° |
| O12 | CO3 | O11 | C16 | 54.1° | 125.3° |
| CO3 | O12 | CO2 | O06 | 0.7° | 1.2° |
| CO3 | O12 | CO2 | O09 | 119.4° | 98.0° |
| CO3 | O12 | CO2 | N05 | 100.6° | 102.3° |
| CO2 | O12 | CO3 | O11 | 16.6° | 140.6° |
| O12 | CO2 | O06 | O09 | 177.2° | 169.8° |
| O12 | CO2 | O06 | N05 | 74.6° | 92.3° |
| O12 | CO2 | O09 | N05 | 139.4° | 159.5° |
| O12 | CO2 | N05 | C32 | 30.6° | 4.4° |
| O12 | CO2 | N05 | C24 | 146.6° | 166.9° |
| CO2 | O12 | CO3 | N06 | 96.6° | 95.1° |
| O12 | CO2 | O09 | H41 | 121.5° | 98.2° |
| O12 | CO2 | O09 | H42 | 1.6° | 144.3° |
| O11 | CO3 | O06 | N06 | 67.7° | 88.4° |
| O11 | CO3 | N06 | C34 | 76.3° | 80.6° |
| O11 | CO3 | N06 | C28 | 103.1° | 96.9° |
| CO3 | O11 | C16 | C17 | 172.9° | 113.5° |
| CO3 | O11 | C16 | O10 | 9.6° | 66.7° |
| O11 | CO3 | O06 | CO2 | 178.6° | 170.9° |
| O06 | CO3 | N06 | C34 | 2.0° | 20.0° |
| O06 | CO3 | N06 | C28 | 178.6° | 162.5° |
| O06 | CO3 | O11 | C16 | 38.1° | 13.1° |
| CO3 | O06 | CO2 | O09 | 176.5° | 171.0° |
| CO3 | O06 | CO2 | N05 | 75.3° | 91.0° |
| CO3 | O06 | CO1 | N04 | 162.0° | 149.5° |
| C34 | N06 | C28 | CO3 | 179.5° | 177.6° |
| N06 | C34 | C35 | H32 | 180.0° | 180.0° |
| N06 | C34 | C35 | C30 | 1.0° | 0.0° |
| C34 | N06 | C28 | C29 | 0.5° | 0.1° |
| N06 | C34 | C35 | H33 | 179.0° | 180.0° |
| C34 | N06 | C28 | H36 | 179.5° | 180.0° |
| C28 | N06 | C34 | C35 | 0.9° | 0.1° |
| N06 | C28 | C29 | C30 | 0.1° | 0.0° |
| N06 | C28 | C29 | H36 | 180.0° | 179.9° |
| C28 | N06 | C34 | H32 | 179.1° | 179.9° |
| N06 | C28 | C29 | H35 | 179.9° | 179.9° |
| C34 | C35 | C30 | H33 | 180.0° | 179.9° |
| C34 | C35 | C30 | C29 | 0.6° | 0.1° |
| C35 | C34 | N06 | CO3 | 179.7° | 177.7° |
| C34 | C35 | C30 | H34 | 179.4° | 180.0° |
| C35 | C30 | C29 | H34 | 180.0° | 179.8° |
| C35 | C30 | C29 | C28 | 0.1° | 0.1° |
| C30 | C35 | C34 | H32 | 179.0° | 180.0° |
| C35 | C30 | C29 | H35 | 179.9° | 180.0° |
| C30 | C29 | C28 | H35 | 180.0° | 179.9° |
| C29 | C30 | C35 | H33 | 179.4° | 179.9° |
| C30 | C29 | C28 | H36 | 179.9° | 179.9° |
| C29 | C28 | N06 | CO3 | 179.9° | 177.7° |
| C28 | C29 | C30 | H34 | 179.9° | 180.0° |
| O11 | C16 | C17 | O10 | 177.5° | 179.7° |
| C16 | O11 | CO3 | N06 | 137.1° | 108.7° |
| O11 | C16 | C17 | H38 | 0.0° | 0.4° |
| O11 | C16 | C17 | H39 | 120.0° | 120.5° |
| O11 | C16 | C17 | H40 | 120.0° | 119.6° |
| C16 | C17 | H38 | H39 | 120.0° | 120.3° |
| C16 | C17 | H38 | H40 | 120.0° | 120.3° |
| C16 | C17 | H39 | H40 | 120.0° | 120.1° |
| C16 | O10 | CO1 | N04 | 142.3° | 151.8° |
| O10 | C16 | C17 | H38 | 177.5° | 179.8° |
| O10 | C16 | C17 | H39 | 57.5° | 59.7° |
| O10 | C16 | C17 | H40 | 62.5° | 60.1° |
| O06 | CO2 | O09 | N05 | 100.9° | 104.0° |
| O06 | CO2 | N05 | C32 | 49.9° | 85.2° |
| O06 | CO2 | N05 | C24 | 132.9° | 103.5° |
| CO2 | O06 | CO1 | N04 | 104.4° | 61.1° |
| CO2 | O06 | CO3 | N06 | 110.9° | 100.6° |
| O06 | CO2 | O09 | H41 | 1.9° | 165.3° |
| O06 | CO2 | O09 | H42 | 118.1° | 47.8° |
| O09 | CO2 | N05 | C32 | 151.6° | 179.2° |
| O09 | CO2 | N05 | C24 | 31.2° | 9.5° |
| CO2 | O09 | H41 | H42 | 120.0° | 118.9° |
| CO2 | N05 | C32 | C24 | 177.3° | 171.7° |
| CO2 | N05 | C32 | C33 | 179.5° | 171.3° |
| CO2 | N05 | C24 | C25 | 179.1° | 171.4° |
| CO2 | N05 | C32 | H44 | 0.5° | 8.6° |
| CO2 | N05 | C24 | H48 | 0.9° | 8.2° |
| N05 | CO2 | O09 | H41 | 99.0° | 61.3° |
| N05 | CO2 | O09 | H42 | 141.0° | 56.2° |
| N05 | C32 | C33 | H44 | 180.0° | 179.9° |
| N05 | C32 | C33 | C26 | 1.7° | 0.2° |
| C32 | N05 | C24 | C25 | 1.9° | 0.5° |
| N05 | C32 | C33 | H45 | 178.3° | 179.8° |
| C32 | N05 | C24 | H48 | 178.1° | 179.9° |
| C24 | N05 | C32 | C33 | 2.2° | 0.4° |
| N05 | C24 | C25 | C26 | 1.1° | 0.3° |
| N05 | C24 | C25 | H48 | 180.0° | 179.6° |
| C24 | N05 | C32 | H44 | 177.8° | 179.7° |
| N05 | C24 | C25 | H47 | 178.9° | 179.8° |
| C32 | C33 | C26 | H45 | 180.0° | 180.0° |
| C32 | C33 | C26 | C25 | 0.9° | 0.0° |
| C32 | C33 | C26 | H46 | 179.1° | 180.0° |
| C33 | C26 | C25 | H46 | 180.0° | 180.0° |
| C33 | C26 | C25 | C24 | 0.6° | 0.1° |
| C26 | C33 | C32 | H44 | 178.3° | 179.9° |
| C33 | C26 | C25 | H47 | 179.4° | 180.0° |
| C26 | C25 | C24 | H47 | 180.0° | 179.9° |
| C25 | C26 | C33 | H45 | 179.1° | 179.9° |
| C26 | C25 | C24 | H48 | 178.8° | 179.9° |
| C24 | C25 | C26 | H46 | 179.4° | 179.9° |
| CO1 | N04 | C22 | H27 | 1.4° | 0.2° |
| CO1 | N04 | C18 | H31 | 0.7° | 0.0° |
| N04 | CO1 | O08 | H21 | 93.9° | 163.9° |
| N04 | CO1 | O08 | H37 | 26.1° | 78.7° |
| CO3 | N06 | C34 | H32 | 0.3° | 2.3° |
| CO3 | N06 | C28 | H36 | 0.1° | 2.4° |
| H1 | N03 | C11 | H2 | 59.0° | 57.7° |
| H2 | C11 | C10 | H3 | 29.9° | 93.0° |
| H2 | C11 | C10 | H4 | 90.6° | 27.0° |
| H2 | C11 | C12 | H6 | 1.8° | 5.7° |
| H5 | N02 | C12 | H6 | 59.7° | 65.8° |
| H6 | C12 | C09 | H7 | 41.7° | 42.5° |
| H7 | C09 | C08 | H8 | 168.0° | 79.6° |
| H7 | C09 | C08 | H9 | 72.1° | 164.6° |
| H8 | C08 | C07 | H10 | 174.4° | 174.8° |
| H8 | C08 | C07 | H11 | 65.5° | 68.5° |
| H9 | C08 | C07 | H10 | 54.5° | 58.9° |
| H9 | C08 | C07 | H11 | 174.7° | 175.5° |
| H10 | C07 | C06 | H12 | 178.6° | 175.8° |
| H10 | C07 | C06 | H13 | 62.4° | 60.2° |
| H11 | C07 | C06 | H12 | 58.5° | 68.0° |
| H11 | C07 | C06 | H13 | 177.5° | 176.3° |
| H12 | C06 | C05 | H14 | 66.6° | 75.8° |
| H12 | C06 | C05 | H15 | 53.7° | 167.0° |
| H13 | C06 | C05 | H14 | 174.5° | 40.0° |
| H13 | C06 | C05 | H15 | 65.3° | 77.1° |
| H16 | N01 | C02 | H17 | 159.6° | 21.8° |
| H16 | N01 | C02 | H18 | 37.8° | 139.2° |
| H17 | C02 | C37 | H19 | 165.8° | 166.4° |
| H17 | C02 | C37 | H20 | 73.7° | 48.7° |
| H18 | C02 | C37 | H19 | 43.9° | 75.9° |
| H18 | C02 | C37 | H20 | 164.4° | 166.4° |
| H22 | C44 | C43 | H23 | 1.0° | 0.2° |
| H23 | C43 | C42 | H24 | 2.5° | 0.1° |
| H24 | C42 | C41 | H25 | 2.5° | 0.1° |
| H25 | C41 | C40 | H26 | 1.0° | 0.2° |
| H27 | C22 | C21 | H28 | 0.3° | 0.0° |
| H28 | C21 | C20 | H29 | 0.4° | 0.0° |
| H29 | C20 | C19 | H30 | 2.3° | 0.1° |
| H30 | C19 | C18 | H31 | 4.1° | 0.0° |
| H32 | C34 | C35 | H33 | 1.0° | 0.1° |
| H33 | C35 | C30 | H34 | 0.6° | 0.1° |
| H34 | C30 | C29 | H35 | 0.1° | 0.1° |
| H35 | C29 | C28 | H36 | 0.1° | 0.0° |
| H38 | C17 | H39 | H40 | 120.0° | 119.4° |
| H44 | C32 | C33 | H45 | 1.8° | 0.1° |
| H45 | C33 | C26 | H46 | 0.9° | 0.0° |
| H46 | C26 | C25 | H47 | 0.6° | 0.0° |
| H47 | C25 | C24 | H48 | 1.2° | 0.2° |
