SQR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O30 | N28 | doub | 1.22Å | 1.17Å | |
| O08 | S05 | doub | 1.42Å | 1.51Å | |
| O20 | C19 | sing | 1.43Å | 1.40Å | |
| N28 | O29 | doub | 1.22Å | 1.40Å | |
| N28 | C27 | sing | 1.48Å | 1.44Å | |
| C19 | C18 | sing | 1.53Å | 1.49Å | |
| C26 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| C27 | C31 | sing | 1.38Å | 1.38Å | Aromatic |
| C25 | C24 | doub | 1.39Å | 1.39Å | Aromatic |
| O07 | S05 | doub | 1.42Å | 1.51Å | |
| O10 | C09 | sing | 1.43Å | 1.44Å | |
| S05 | O06 | sing | 1.52Å | 1.51Å | |
| S05 | O04 | sing | 1.52Å | 1.65Å | |
| O21 | C18 | sing | 1.43Å | 1.49Å | |
| O21 | C22 | sing | 1.43Å | 1.47Å | |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| C31 | C32 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | C32 | sing | 1.39Å | 1.38Å | Aromatic |
| C24 | O23 | sing | 1.36Å | 1.40Å | |
| C03 | O04 | sing | 1.43Å | 1.48Å | |
| C03 | C09 | sing | 1.53Å | 1.48Å | |
| C03 | C02 | sing | 1.53Å | 1.48Å | |
| C09 | C15 | sing | 1.53Å | 1.54Å | |
| C15 | O16 | sing | 1.43Å | 1.38Å | |
| C15 | O14 | sing | 1.43Å | 1.46Å | |
| O23 | C22 | sing | 1.43Å | 1.36Å | |
| C22 | C33 | sing | 1.53Å | 1.53Å | |
| C17 | O16 | sing | 1.43Å | 1.44Å | |
| C17 | C38 | sing | 1.53Å | 1.49Å | |
| C11 | C02 | sing | 1.53Å | 1.54Å | |
| C11 | O14 | sing | 1.43Å | 1.46Å | |
| C11 | C12 | sing | 1.53Å | 1.50Å | |
| C02 | O01 | sing | 1.43Å | 1.45Å | |
| O13 | C12 | sing | 1.43Å | 1.41Å | |
| C33 | C38 | sing | 1.53Å | 1.48Å | |
| C33 | N34 | sing | 1.46Å | 1.49Å | |
| C38 | O39 | sing | 1.43Å | 1.45Å | |
| N34 | C35 | sing | 1.35Å | 1.45Å | |
| O37 | C35 | doub | 1.21Å | 1.19Å | |
| C35 | C36 | sing | 1.51Å | 1.53Å | |
| C15 | H1 | sing | 1.09Å | 1.10Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C22 | H3 | sing | 1.09Å | 1.10Å | |
| C26 | H4 | sing | 1.08Å | 1.08Å | |
| C02 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| C09 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C25 | H14 | sing | 1.08Å | 1.08Å | |
| C31 | H15 | sing | 1.08Å | 1.08Å | |
| C32 | H16 | sing | 1.08Å | 1.08Å | |
| C33 | H17 | sing | 1.09Å | 1.10Å | |
| C36 | H18 | sing | 1.09Å | 1.10Å | |
| C36 | H19 | sing | 1.09Å | 1.10Å | |
| C36 | H20 | sing | 1.09Å | 1.10Å | |
| C38 | H21 | sing | 1.09Å | 1.10Å | |
| N34 | H22 | sing | 0.97Å | 1.00Å | |
| O01 | H23 | sing | 0.97Å | 0.95Å | |
| O10 | H24 | sing | 0.97Å | 0.95Å | |
| O13 | H25 | sing | 0.97Å | 0.95Å | |
| O20 | H26 | sing | 0.97Å | 0.95Å | |
| O39 | H27 | sing | 0.97Å | 0.95Å | |
| O06 | H28 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O30 | N28 | O29 | 120.9° | 120.1° |
| O30 | N28 | C27 | 118.9° | 120.0° |
| O08 | S05 | O07 | 112.2° | 123.2° |
| O08 | S05 | O06 | 101.7° | 106.4° |
| O08 | S05 | O04 | 112.2° | 106.4° |
| O20 | C19 | C18 | 108.5° | 109.4° |
| O20 | C19 | H12 | 109.8° | 109.5° |
| O20 | C19 | H13 | 109.7° | 109.5° |
| C19 | O20 | H26 | 109.5° | 114.0° |
| O29 | N28 | C27 | 120.2° | 120.0° |
| N28 | C27 | C26 | 119.2° | 120.0° |
| N28 | C27 | C31 | 120.0° | 119.9° |
| C19 | C18 | O21 | 106.4° | 109.5° |
| C19 | C18 | C17 | 113.0° | 109.5° |
| C19 | C18 | H11 | 109.1° | 109.5° |
| C18 | C19 | H12 | 109.7° | 109.5° |
| C18 | C19 | H13 | 109.7° | 109.5° |
| C27 | C26 | C25 | 119.6° | 120.1° |
| C26 | C27 | C31 | 120.9° | 120.1° |
| C27 | C26 | H4 | 120.2° | 120.0° |
| C26 | C25 | C24 | 119.9° | 120.0° |
| C25 | C26 | H4 | 120.2° | 120.0° |
| C26 | C25 | H14 | 120.1° | 120.0° |
| C27 | C31 | C32 | 119.5° | 120.0° |
| C27 | C31 | H15 | 120.3° | 120.0° |
| C25 | C24 | C32 | 120.2° | 119.8° |
| C25 | C24 | O23 | 121.5° | 120.1° |
| C24 | C25 | H14 | 120.0° | 120.0° |
| O07 | S05 | O06 | 109.3° | 106.4° |
| O07 | S05 | O04 | 110.1° | 106.4° |
| O10 | C09 | C03 | 109.3° | 109.6° |
| O10 | C09 | C15 | 107.7° | 109.5° |
| O10 | C09 | H7 | 109.5° | 109.5° |
| C09 | O10 | H24 | 109.5° | 114.0° |
| O06 | S05 | O04 | 111.0° | 107.2° |
| S05 | O06 | H28 | 109.5° | 114.0° |
| S05 | O04 | C03 | 119.4° | 114.0° |
| C18 | O21 | C22 | 113.3° | 114.1° |
| O21 | C18 | C17 | 110.7° | 109.4° |
| O21 | C18 | H11 | 109.1° | 109.5° |
| O21 | C22 | O23 | 108.3° | 109.5° |
| O21 | C22 | C33 | 112.1° | 109.4° |
| O21 | C22 | H3 | 110.1° | 109.5° |
| C18 | C17 | O16 | 110.4° | 109.5° |
| C18 | C17 | C38 | 109.5° | 109.2° |
| C18 | C17 | H2 | 109.4° | 109.6° |
| C17 | C18 | H11 | 108.5° | 109.5° |
| C31 | C32 | C24 | 119.9° | 120.0° |
| C32 | C31 | H15 | 120.2° | 120.0° |
| C31 | C32 | H16 | 120.0° | 120.0° |
| C32 | C24 | O23 | 118.3° | 120.1° |
| C24 | C32 | H16 | 120.0° | 120.0° |
| C24 | O23 | C22 | 112.9° | 117.0° |
| O04 | C03 | C09 | 107.4° | 109.5° |
| O04 | C03 | C02 | 110.4° | 109.5° |
| O04 | C03 | H6 | 108.7° | 109.6° |
| C09 | C03 | C02 | 112.8° | 109.0° |
| C03 | C09 | C15 | 112.9° | 109.2° |
| C09 | C03 | H6 | 108.7° | 109.6° |
| C03 | C09 | H7 | 109.0° | 109.6° |
| C03 | C02 | C11 | 110.5° | 109.2° |
| C03 | C02 | O01 | 110.2° | 109.5° |
| C03 | C02 | H5 | 108.6° | 109.5° |
| C02 | C03 | H6 | 108.7° | 109.6° |
| C09 | C15 | O16 | 109.6° | 109.5° |
| C09 | C15 | O14 | 111.9° | 109.4° |
| C09 | C15 | H1 | 107.6° | 109.4° |
| C15 | C09 | H7 | 108.3° | 109.5° |
| O16 | C15 | O14 | 109.4° | 109.5° |
| C15 | O16 | C17 | 114.0° | 114.0° |
| O16 | C15 | H1 | 109.7° | 109.5° |
| C15 | O14 | C11 | 109.9° | 114.1° |
| O14 | C15 | H1 | 108.6° | 109.4° |
| O23 | C22 | C33 | 105.4° | 109.4° |
| O23 | C22 | H3 | 111.7° | 109.4° |
| C22 | C33 | C38 | 113.3° | 109.1° |
| C22 | C33 | N34 | 107.4° | 109.5° |
| C33 | C22 | H3 | 109.3° | 109.5° |
| C22 | C33 | H17 | 108.5° | 109.6° |
| O16 | C17 | C38 | 106.9° | 109.5° |
| O16 | C17 | H2 | 110.6° | 109.5° |
| C17 | C38 | C33 | 113.5° | 109.0° |
| C17 | C38 | O39 | 110.3° | 109.6° |
| C38 | C17 | H2 | 109.9° | 109.5° |
| C17 | C38 | H21 | 108.7° | 109.5° |
| C02 | C11 | O14 | 110.8° | 109.5° |
| C02 | C11 | C12 | 112.1° | 109.5° |
| C11 | C02 | O01 | 110.4° | 109.5° |
| C11 | C02 | H5 | 107.9° | 109.6° |
| C02 | C11 | H8 | 108.5° | 109.5° |
| O14 | C11 | C12 | 107.0° | 109.5° |
| O14 | C11 | H8 | 109.4° | 109.5° |
| C11 | C12 | O13 | 107.8° | 109.5° |
| C12 | C11 | H8 | 109.0° | 109.5° |
| C11 | C12 | H9 | 109.9° | 109.5° |
| C11 | C12 | H10 | 109.9° | 109.4° |
| O01 | C02 | H5 | 109.1° | 109.5° |
| C02 | O01 | H23 | 109.5° | 114.0° |
| O13 | C12 | H9 | 109.9° | 109.5° |
| O13 | C12 | H10 | 109.9° | 109.4° |
| C12 | O13 | H25 | 109.5° | 114.1° |
| C38 | C33 | N34 | 109.4° | 109.5° |
| C33 | C38 | O39 | 106.1° | 109.6° |
| C38 | C33 | H17 | 109.1° | 109.5° |
| C33 | C38 | H21 | 108.9° | 109.5° |
| C33 | N34 | C35 | 119.7° | 120.0° |
| N34 | C33 | H17 | 109.0° | 109.6° |
| C33 | N34 | H22 | 120.1° | 120.1° |
| O39 | C38 | H21 | 109.3° | 109.6° |
| C38 | O39 | H27 | 109.5° | 114.0° |
| N34 | C35 | O37 | 120.0° | 120.0° |
| N34 | C35 | C36 | 119.9° | 120.0° |
| C35 | N34 | H22 | 120.1° | 120.0° |
| O37 | C35 | C36 | 120.1° | 120.0° |
| C35 | C36 | H18 | 109.5° | 109.5° |
| C35 | C36 | H19 | 109.5° | 109.5° |
| C35 | C36 | H20 | 109.4° | 109.5° |
| H9 | C12 | H10 | 109.5° | 109.5° |
| H12 | C19 | H13 | 109.5° | 109.5° |
| H18 | C36 | H19 | 109.5° | 109.5° |
| H18 | C36 | H20 | 109.5° | 109.4° |
| H19 | C36 | H20 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O30 | N28 | O29 | C27 | 179.4° | 180.0° |
| O30 | N28 | C27 | C26 | 9.3° | 180.0° |
| O30 | N28 | C27 | C31 | 170.4° | 0.3° |
| O08 | S05 | O07 | O06 | 112.1° | 123.0° |
| O08 | S05 | O07 | O04 | 125.8° | 122.9° |
| O08 | S05 | O06 | O04 | 119.6° | 113.5° |
| O08 | S05 | O04 | C03 | 31.8° | 38.5° |
| O08 | S05 | O06 | H28 | 0.0° | 66.5° |
| O20 | C19 | C18 | H12 | 119.9° | 120.0° |
| O20 | C19 | C18 | H13 | 119.8° | 120.0° |
| O20 | C19 | C18 | O21 | 63.5° | 65.3° |
| O20 | C19 | C18 | C17 | 58.1° | 174.8° |
| O20 | C19 | C18 | H11 | 179.0° | 54.8° |
| O20 | C19 | H12 | H13 | 120.4° | 120.0° |
| O29 | N28 | C27 | C26 | 171.3° | 0.0° |
| O29 | N28 | C27 | C31 | 9.1° | 179.7° |
| N28 | C27 | C26 | C31 | 179.7° | 179.7° |
| N28 | C27 | C26 | C25 | 179.7° | 180.0° |
| N28 | C27 | C31 | C32 | 179.7° | 179.7° |
| N28 | C27 | C26 | H4 | 0.3° | 0.3° |
| N28 | C27 | C31 | H15 | 0.3° | 0.3° |
| C19 | C18 | O21 | C17 | 123.1° | 119.9° |
| C19 | C18 | O21 | H11 | 117.5° | 120.1° |
| C19 | C18 | O21 | C22 | 179.7° | 178.9° |
| C19 | C18 | C17 | H11 | 121.1° | 120.0° |
| C19 | C18 | C17 | O16 | 66.6° | 62.5° |
| C19 | C18 | C17 | C38 | 175.9° | 177.6° |
| C19 | C18 | C17 | H2 | 55.4° | 57.7° |
| C18 | C19 | H12 | H13 | 120.5° | 120.0° |
| C18 | C19 | O20 | H26 | 180.0° | 180.0° |
| C27 | C26 | C25 | H4 | 180.0° | 179.7° |
| C27 | C26 | C25 | C24 | 0.3° | 0.0° |
| C26 | C27 | C31 | C32 | 0.1° | 0.6° |
| C27 | C26 | C25 | H14 | 179.7° | 180.0° |
| C26 | C27 | C31 | H15 | 180.0° | 180.0° |
| C25 | C26 | C27 | C31 | 0.0° | 0.3° |
| C26 | C25 | C24 | H14 | 180.0° | 180.0° |
| C26 | C25 | C24 | C32 | 0.5° | 0.0° |
| C26 | C25 | C24 | O23 | 179.5° | 179.7° |
| C27 | C31 | C32 | H15 | 180.0° | 179.4° |
| C27 | C31 | C32 | C24 | 0.2° | 0.6° |
| C31 | C27 | C26 | H4 | 180.0° | 180.0° |
| C27 | C31 | C32 | H16 | 179.8° | 179.4° |
| C25 | C24 | C32 | C31 | 0.5° | 0.3° |
| C25 | C24 | C32 | O23 | 179.0° | 179.7° |
| C25 | C24 | O23 | C22 | 25.6° | 0.3° |
| C24 | C25 | C26 | H4 | 179.7° | 179.7° |
| C25 | C24 | C32 | H16 | 179.5° | 179.7° |
| O07 | S05 | O06 | O04 | 121.6° | 113.6° |
| O07 | S05 | O04 | C03 | 157.5° | 171.4° |
| O07 | S05 | O06 | H28 | 118.8° | 66.5° |
| O10 | C09 | C03 | O04 | 69.9° | 63.3° |
| O10 | C09 | C03 | C15 | 119.9° | 119.9° |
| O10 | C09 | C03 | H7 | 119.8° | 120.2° |
| O10 | C09 | C03 | C02 | 168.2° | 176.9° |
| O10 | C09 | C15 | H7 | 118.4° | 120.1° |
| O10 | C09 | C15 | O16 | 66.7° | 62.5° |
| O10 | C09 | C15 | O14 | 171.7° | 177.5° |
| O10 | C09 | C15 | H1 | 52.6° | 57.6° |
| O10 | C09 | C03 | H6 | 47.6° | 57.0° |
| O06 | S05 | O04 | C03 | 81.3° | 75.0° |
| S05 | O04 | C03 | C09 | 146.8° | 95.0° |
| S05 | O04 | C03 | C02 | 89.8° | 145.5° |
| S05 | O04 | C03 | H6 | 29.3° | 25.2° |
| O04 | S05 | O06 | H28 | 119.6° | 180.0° |
| O21 | C18 | C17 | H11 | 119.7° | 120.0° |
| C18 | O21 | C22 | O23 | 167.0° | 178.8° |
| C18 | O21 | C22 | C33 | 51.2° | 61.2° |
| O21 | C18 | C17 | O16 | 174.3° | 177.6° |
| O21 | C18 | C17 | C38 | 56.8° | 57.6° |
| O21 | C18 | C17 | H2 | 63.8° | 62.3° |
| C18 | O21 | C22 | H3 | 70.7° | 58.8° |
| O21 | C18 | C19 | H12 | 176.6° | 174.7° |
| O21 | C18 | C19 | H13 | 56.3° | 54.7° |
| C22 | O21 | C18 | C17 | 56.6° | 61.2° |
| O21 | C22 | O23 | C24 | 86.8° | 65.1° |
| O21 | C22 | O23 | C33 | 120.1° | 119.9° |
| O21 | C22 | O23 | H3 | 121.3° | 120.0° |
| O21 | C22 | C33 | H3 | 122.3° | 120.0° |
| O21 | C22 | C33 | C38 | 47.4° | 57.6° |
| O21 | C22 | C33 | N34 | 168.3° | 177.5° |
| C22 | O21 | C18 | H11 | 62.7° | 58.8° |
| O21 | C22 | C33 | H17 | 74.0° | 62.2° |
| C18 | C17 | O16 | C15 | 105.2° | 100.7° |
| C18 | C17 | O16 | C38 | 119.1° | 119.7° |
| C18 | C17 | O16 | H2 | 121.3° | 120.2° |
| C18 | C17 | C38 | H2 | 120.2° | 120.0° |
| C18 | C17 | C38 | C33 | 54.6° | 57.0° |
| C18 | C17 | C38 | O39 | 173.4° | 176.9° |
| C17 | C18 | C19 | H12 | 61.7° | 54.8° |
| C17 | C18 | C19 | H13 | 177.9° | 65.2° |
| C18 | C17 | C38 | H21 | 66.8° | 62.9° |
| C31 | C32 | C24 | H16 | 180.0° | 180.0° |
| C31 | C32 | C24 | O23 | 179.5° | 180.0° |
| C32 | C24 | O23 | C22 | 155.4° | 180.0° |
| C32 | C24 | C25 | H14 | 179.4° | 180.0° |
| C24 | C32 | C31 | H15 | 179.8° | 180.0° |
| C24 | O23 | C22 | C33 | 153.0° | 175.0° |
| C24 | O23 | C22 | H3 | 34.5° | 55.0° |
| O23 | C24 | C25 | H14 | 0.5° | 0.3° |
| O23 | C24 | C32 | H16 | 0.5° | 0.0° |
| O04 | C03 | C09 | C02 | 121.9° | 119.8° |
| O04 | C03 | C09 | H6 | 117.5° | 120.2° |
| O04 | C03 | C02 | H6 | 119.2° | 120.2° |
| O04 | C03 | C09 | C15 | 170.3° | 176.8° |
| O04 | C03 | C02 | C11 | 171.6° | 176.8° |
| O04 | C03 | C02 | O01 | 49.3° | 56.9° |
| O04 | C03 | C02 | H5 | 70.2° | 63.2° |
| O04 | C03 | C09 | H7 | 49.9° | 56.9° |
| C09 | C03 | C02 | H6 | 120.7° | 119.9° |
| C03 | C09 | C15 | H7 | 120.8° | 119.9° |
| C03 | C09 | C15 | O16 | 172.5° | 177.6° |
| C03 | C09 | C15 | O14 | 50.9° | 57.6° |
| C09 | C03 | C02 | C11 | 51.4° | 57.0° |
| C09 | C03 | C02 | O01 | 70.9° | 62.9° |
| C03 | C09 | C15 | H1 | 68.2° | 62.3° |
| C09 | C03 | C02 | H5 | 169.6° | 177.0° |
| C03 | C09 | O10 | H24 | 180.0° | 180.0° |
| C02 | C03 | C09 | C15 | 48.4° | 57.0° |
| C03 | C02 | C11 | O01 | 122.2° | 119.9° |
| C03 | C02 | C11 | H5 | 118.6° | 119.9° |
| C03 | C02 | C11 | O14 | 58.0° | 57.6° |
| C03 | C02 | C11 | C12 | 177.4° | 177.6° |
| C03 | C02 | O01 | H5 | 119.2° | 120.1° |
| C02 | C03 | C09 | H7 | 72.0° | 62.9° |
| C03 | C02 | C11 | H8 | 62.2° | 62.4° |
| C03 | C02 | O01 | H23 | 180.0° | 179.9° |
| C09 | C15 | O16 | O14 | 123.1° | 120.0° |
| C09 | C15 | O16 | H1 | 117.9° | 120.0° |
| C09 | C15 | O14 | H1 | 118.6° | 119.9° |
| C09 | C15 | O16 | C17 | 169.5° | 169.7° |
| C09 | C15 | O14 | C11 | 56.9° | 61.1° |
| C15 | C09 | C03 | H6 | 72.3° | 63.0° |
| C15 | C09 | O10 | H24 | 57.0° | 60.2° |
| O16 | C15 | O14 | H1 | 119.7° | 120.0° |
| C15 | O16 | C17 | C38 | 135.7° | 139.5° |
| O16 | C15 | O14 | C11 | 178.6° | 178.9° |
| C15 | O16 | C17 | H2 | 16.0° | 19.5° |
| O16 | C15 | C09 | H7 | 51.7° | 57.7° |
| O14 | C15 | O16 | C17 | 67.5° | 70.3° |
| C15 | O14 | C11 | C02 | 60.8° | 61.1° |
| C15 | O14 | C11 | C12 | 176.8° | 178.9° |
| O14 | C15 | C09 | H7 | 69.9° | 62.4° |
| C15 | O14 | C11 | H8 | 58.9° | 58.9° |
| O23 | C22 | C33 | H3 | 120.1° | 120.0° |
| O23 | C22 | C33 | C38 | 165.0° | 177.6° |
| O23 | C22 | C33 | N34 | 74.1° | 62.6° |
| O23 | C22 | C33 | H17 | 43.6° | 57.7° |
| C22 | C33 | C38 | C17 | 50.4° | 56.9° |
| C22 | C33 | C38 | N34 | 119.8° | 119.9° |
| C22 | C33 | C38 | H17 | 121.0° | 119.9° |
| C22 | C33 | N34 | H17 | 117.4° | 120.3° |
| C22 | C33 | C38 | O39 | 171.6° | 176.9° |
| C22 | C33 | N34 | C35 | 97.2° | 85.1° |
| C22 | C33 | C38 | H21 | 70.9° | 62.9° |
| C22 | C33 | N34 | H22 | 82.8° | 94.9° |
| O16 | C17 | C38 | H2 | 120.1° | 120.1° |
| O16 | C17 | C38 | C33 | 174.2° | 176.9° |
| O16 | C17 | C38 | O39 | 67.0° | 63.2° |
| C17 | O16 | C15 | H1 | 51.5° | 49.7° |
| O16 | C17 | C18 | H11 | 54.6° | 57.6° |
| O16 | C17 | C38 | H21 | 52.9° | 57.1° |
| C17 | C38 | C33 | O39 | 121.2° | 119.9° |
| C17 | C38 | C33 | H21 | 121.3° | 119.8° |
| C17 | C38 | C33 | N34 | 170.1° | 176.8° |
| C17 | C38 | O39 | H21 | 119.5° | 120.2° |
| C38 | C17 | C18 | H11 | 62.9° | 62.4° |
| C17 | C38 | C33 | H17 | 70.6° | 63.0° |
| C17 | C38 | O39 | H27 | 180.0° | 180.0° |
| C02 | C11 | O14 | C12 | 122.4° | 120.0° |
| C02 | C11 | O14 | H8 | 119.6° | 120.0° |
| C02 | C11 | C12 | H8 | 120.1° | 120.0° |
| C11 | C02 | O01 | H5 | 118.5° | 120.3° |
| C02 | C11 | C12 | O13 | 179.5° | 175.0° |
| C11 | C02 | C03 | H6 | 69.2° | 62.9° |
| C02 | C11 | C12 | H9 | 60.8° | 55.0° |
| C02 | C11 | C12 | H10 | 59.8° | 65.0° |
| C11 | C02 | O01 | H23 | 57.6° | 60.2° |
| O14 | C11 | C12 | H8 | 118.2° | 120.0° |
| O14 | C11 | C02 | O01 | 64.3° | 62.3° |
| O14 | C11 | C12 | O13 | 57.8° | 65.0° |
| C11 | O14 | C15 | H1 | 61.7° | 58.9° |
| O14 | C11 | C02 | H5 | 176.6° | 177.5° |
| O14 | C11 | C12 | H9 | 177.6° | 175.0° |
| O14 | C11 | C12 | H10 | 61.9° | 55.0° |
| C12 | C11 | C02 | O01 | 55.2° | 57.7° |
| C11 | C12 | O13 | H9 | 119.7° | 120.1° |
| C11 | C12 | O13 | H10 | 119.8° | 120.0° |
| C12 | C11 | C02 | H5 | 64.0° | 62.4° |
| C11 | C12 | H9 | H10 | 120.8° | 120.0° |
| C11 | C12 | O13 | H25 | 180.0° | 180.0° |
| O01 | C02 | C03 | H6 | 168.4° | 177.2° |
| O01 | C02 | C11 | H8 | 175.6° | 177.7° |
| O13 | C12 | C11 | H8 | 60.4° | 55.0° |
| O13 | C12 | H9 | H10 | 120.7° | 120.0° |
| C38 | C33 | N34 | H17 | 119.3° | 120.1° |
| C33 | C38 | O39 | H21 | 117.3° | 120.2° |
| C38 | C33 | N34 | C35 | 139.5° | 155.3° |
| C33 | C38 | C17 | H2 | 65.6° | 63.0° |
| C38 | C33 | C22 | H3 | 74.9° | 62.4° |
| C38 | C33 | N34 | H22 | 40.5° | 24.7° |
| C33 | C38 | O39 | H27 | 56.7° | 60.4° |
| N34 | C33 | C38 | O39 | 68.7° | 63.2° |
| C33 | N34 | C35 | H22 | 180.0° | 180.0° |
| C33 | N34 | C35 | O37 | 0.6° | 0.0° |
| C33 | N34 | C35 | C36 | 179.6° | 180.0° |
| N34 | C33 | C22 | H3 | 46.0° | 57.4° |
| N34 | C33 | C38 | H21 | 48.9° | 57.0° |
| O39 | C38 | C17 | H2 | 53.2° | 56.9° |
| O39 | C38 | C33 | H17 | 50.6° | 57.0° |
| N34 | C35 | O37 | C36 | 179.8° | 179.9° |
| C35 | N34 | C33 | H17 | 20.2° | 35.2° |
| N34 | C35 | C36 | H18 | 179.8° | 90.0° |
| N34 | C35 | C36 | H19 | 59.8° | 150.0° |
| N34 | C35 | C36 | H20 | 60.2° | 30.0° |
| O37 | C35 | C36 | H18 | 0.0° | 90.1° |
| O37 | C35 | C36 | H19 | 120.0° | 30.0° |
| O37 | C35 | C36 | H20 | 120.0° | 150.0° |
| O37 | C35 | N34 | H22 | 179.4° | 180.0° |
| C35 | C36 | H18 | H19 | 120.0° | 120.1° |
| C35 | C36 | H18 | H20 | 120.0° | 120.0° |
| C35 | C36 | H19 | H20 | 120.0° | 120.0° |
| C36 | C35 | N34 | H22 | 0.4° | 0.0° |
| H1 | C15 | C09 | H7 | 170.9° | 177.7° |
| H2 | C17 | C18 | H11 | 176.5° | 177.7° |
| H2 | C17 | C38 | H21 | 173.0° | 177.2° |
| H3 | C22 | C33 | H17 | 163.7° | 177.7° |
| H4 | C26 | C25 | H14 | 0.3° | 0.3° |
| H5 | C02 | C03 | H6 | 49.0° | 57.1° |
| H5 | C02 | C11 | H8 | 56.4° | 57.5° |
| H5 | C02 | O01 | H23 | 60.8° | 60.0° |
| H6 | C03 | C09 | H7 | 167.4° | 177.1° |
| H7 | C09 | O10 | H24 | 60.5° | 59.8° |
| H8 | C11 | C12 | H9 | 59.3° | 65.0° |
| H8 | C11 | C12 | H10 | 179.8° | 175.0° |
| H9 | C12 | O13 | H25 | 60.3° | 60.0° |
| H10 | C12 | O13 | H25 | 60.2° | 60.0° |
| H11 | C18 | C19 | H12 | 59.1° | 65.2° |
| H11 | C18 | C19 | H13 | 61.2° | 174.8° |
| H12 | C19 | O20 | H26 | 60.2° | 60.0° |
| H13 | C19 | O20 | H26 | 60.1° | 60.0° |
| H15 | C31 | C32 | H16 | 0.2° | 0.0° |
| H17 | C33 | C38 | H21 | 168.1° | 177.2° |
| H17 | C33 | N34 | H22 | 159.8° | 144.8° |
| H18 | C36 | H19 | H20 | 120.0° | 119.9° |
| H21 | C38 | O39 | H27 | 60.5° | 59.8° |
