1TF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O12 | P11 | doub | 1.48Å | 1.50Å | |
| O31 | P11 | sing | 1.61Å | 1.50Å | |
| P11 | O10 | sing | 1.61Å | 1.64Å | |
| P11 | O13 | sing | 1.61Å | 1.66Å | |
| O10 | C09 | sing | 1.43Å | 1.39Å | |
| O13 | C14 | sing | 1.34Å | 1.41Å | |
| C09 | C08 | sing | 1.53Å | 1.51Å | |
| C08 | O07 | sing | 1.44Å | 1.61Å | |
| C08 | C32 | sing | 1.54Å | 1.28Å | |
| O33 | C32 | sing | 1.43Å | 1.49Å | |
| C14 | O30 | doub | 1.21Å | 1.18Å | |
| C14 | C15 | sing | 1.51Å | 1.52Å | |
| O35 | C34 | sing | 1.43Å | 1.35Å | |
| O07 | C06 | sing | 1.44Å | 1.28Å | |
| C32 | C34 | sing | 1.55Å | 1.51Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C34 | C06 | sing | 1.55Å | 1.54Å | |
| C06 | N05 | sing | 1.47Å | 1.48Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| N05 | C36 | sing | 1.36Å | 1.32Å | Aromatic |
| N05 | C04 | sing | 1.37Å | 1.33Å | Aromatic |
| C36 | N37 | doub | 1.30Å | 1.31Å | Aromatic |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C04 | N38 | doub | 1.33Å | 1.33Å | Aromatic |
| C04 | C03 | sing | 1.41Å | 1.37Å | Aromatic |
| N38 | C39 | sing | 1.32Å | 1.31Å | Aromatic |
| N37 | C03 | sing | 1.35Å | 1.34Å | Aromatic |
| C03 | C02 | doub | 1.40Å | 1.40Å | Aromatic |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C39 | N40 | doub | 1.32Å | 1.32Å | Aromatic |
| C20 | C19 | sing | 1.53Å | 1.52Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C02 | N40 | sing | 1.33Å | 1.32Å | Aromatic |
| C02 | N01 | sing | 1.38Å | 1.44Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C23 | C22 | sing | 1.53Å | 1.52Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| C25 | C24 | sing | 1.53Å | 1.52Å | |
| C25 | C26 | sing | 1.53Å | 1.52Å | |
| C26 | C27 | sing | 1.53Å | 1.52Å | |
| C27 | C28 | sing | 1.53Å | 1.52Å | |
| C29 | C28 | sing | 1.53Å | 1.52Å | |
| C15 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C24 | H11 | sing | 1.09Å | 1.10Å | |
| C24 | H12 | sing | 1.09Å | 1.10Å | |
| C26 | H13 | sing | 1.09Å | 1.10Å | |
| C26 | H14 | sing | 1.09Å | 1.10Å | |
| C28 | H15 | sing | 1.09Å | 1.10Å | |
| C28 | H16 | sing | 1.09Å | 1.10Å | |
| C06 | H17 | sing | 1.09Å | 1.10Å | |
| C08 | H18 | sing | 1.09Å | 1.10Å | |
| C09 | H19 | sing | 1.09Å | 1.10Å | |
| C09 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C23 | H27 | sing | 1.09Å | 1.10Å | |
| C23 | H28 | sing | 1.09Å | 1.10Å | |
| C25 | H29 | sing | 1.09Å | 1.10Å | |
| C25 | H30 | sing | 1.09Å | 1.10Å | |
| C27 | H31 | sing | 1.09Å | 1.10Å | |
| C27 | H32 | sing | 1.09Å | 1.10Å | |
| C29 | H33 | sing | 1.09Å | 1.10Å | |
| C29 | H34 | sing | 1.09Å | 1.10Å | |
| C29 | H35 | sing | 1.09Å | 1.10Å | |
| C32 | H36 | sing | 1.09Å | 1.10Å | |
| C34 | H37 | sing | 1.09Å | 1.10Å | |
| C36 | H38 | sing | 1.08Å | 1.08Å | |
| C39 | H39 | sing | 1.08Å | 1.08Å | |
| N01 | H40 | sing | 0.97Å | 1.00Å | |
| N01 | H41 | sing | 0.97Å | 1.00Å | |
| O31 | H42 | sing | 0.97Å | 0.95Å | |
| O33 | H43 | sing | 0.97Å | 0.95Å | |
| O35 | H44 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O12 | P11 | O31 | 110.1° | 109.4° |
| O12 | P11 | O10 | 109.0° | 109.5° |
| O12 | P11 | O13 | 106.1° | 109.4° |
| O31 | P11 | O10 | 109.0° | 109.5° |
| O31 | P11 | O13 | 110.6° | 109.4° |
| P11 | O31 | H42 | 109.5° | 113.9° |
| O10 | P11 | O13 | 112.0° | 109.5° |
| P11 | O10 | C09 | 117.8° | 123.0° |
| P11 | O13 | C14 | 122.8° | 117.1° |
| O10 | C09 | C08 | 108.0° | 109.5° |
| O10 | C09 | H19 | 109.8° | 109.5° |
| O10 | C09 | H20 | 109.8° | 109.5° |
| O13 | C14 | O30 | 122.0° | 120.0° |
| O13 | C14 | C15 | 120.4° | 120.0° |
| C09 | C08 | O07 | 111.7° | 109.8° |
| C09 | C08 | C32 | 109.3° | 110.0° |
| C09 | C08 | H18 | 110.1° | 110.0° |
| C08 | C09 | H19 | 109.8° | 109.4° |
| C08 | C09 | H20 | 109.8° | 109.4° |
| O07 | C08 | C32 | 103.1° | 107.3° |
| C08 | O07 | C06 | 106.2° | 106.9° |
| O07 | C08 | H18 | 108.7° | 109.9° |
| C08 | C32 | O33 | 109.9° | 110.5° |
| C08 | C32 | C34 | 99.8° | 104.2° |
| C32 | C08 | H18 | 113.8° | 109.8° |
| C08 | C32 | H36 | 114.0° | 110.5° |
| O33 | C32 | C34 | 112.2° | 110.5° |
| O33 | C32 | H36 | 110.4° | 110.5° |
| C32 | O33 | H43 | 109.5° | 114.0° |
| O30 | C14 | C15 | 117.6° | 120.0° |
| C14 | C15 | C16 | 111.2° | 109.5° |
| C14 | C15 | H1 | 109.1° | 109.5° |
| C14 | C15 | H2 | 109.0° | 109.5° |
| O35 | C34 | C32 | 111.0° | 110.9° |
| O35 | C34 | C06 | 109.9° | 110.9° |
| O35 | C34 | H37 | 113.3° | 110.8° |
| C34 | O35 | H44 | 109.5° | 114.0° |
| O07 | C06 | C34 | 105.5° | 103.7° |
| O07 | C06 | N05 | 111.9° | 110.6° |
| O07 | C06 | H17 | 113.7° | 110.6° |
| C32 | C34 | C06 | 101.0° | 102.1° |
| C34 | C32 | H36 | 110.2° | 110.5° |
| C32 | C34 | H37 | 110.8° | 110.9° |
| C15 | C16 | C17 | 111.0° | 109.5° |
| C16 | C15 | H1 | 109.0° | 109.5° |
| C16 | C15 | H2 | 109.1° | 109.4° |
| C15 | C16 | H21 | 109.1° | 109.5° |
| C15 | C16 | H22 | 109.1° | 109.5° |
| C34 | C06 | N05 | 105.4° | 110.6° |
| C34 | C06 | H17 | 109.5° | 110.6° |
| C06 | C34 | H37 | 110.3° | 110.9° |
| C06 | N05 | C36 | 127.4° | 126.3° |
| C06 | N05 | C04 | 123.5° | 126.3° |
| N05 | C06 | H17 | 110.4° | 110.5° |
| C16 | C17 | C18 | 114.5° | 109.5° |
| C16 | C17 | H3 | 108.2° | 109.5° |
| C16 | C17 | H4 | 108.2° | 109.5° |
| C17 | C16 | H21 | 109.1° | 109.4° |
| C17 | C16 | H22 | 109.1° | 109.5° |
| C36 | N05 | C04 | 109.1° | 107.5° |
| N05 | C36 | N37 | 109.2° | 110.0° |
| N05 | C36 | H38 | 125.4° | 125.0° |
| N05 | C04 | N38 | 134.6° | 134.9° |
| N05 | C04 | C03 | 106.2° | 106.0° |
| C36 | N37 | C03 | 107.8° | 109.5° |
| N37 | C36 | H38 | 125.4° | 125.0° |
| C17 | C18 | C19 | 109.3° | 109.5° |
| C18 | C17 | H3 | 108.2° | 109.4° |
| C18 | C17 | H4 | 108.2° | 109.5° |
| C17 | C18 | H23 | 109.5° | 109.5° |
| C17 | C18 | H24 | 109.5° | 109.5° |
| N38 | C04 | C03 | 119.2° | 119.1° |
| C04 | N38 | C39 | 121.1° | 120.7° |
| C04 | C03 | N37 | 107.6° | 107.1° |
| C04 | C03 | C02 | 118.2° | 118.2° |
| N38 | C39 | N40 | 121.4° | 122.4° |
| N38 | C39 | H39 | 119.3° | 118.8° |
| N37 | C03 | C02 | 134.1° | 134.7° |
| C03 | C02 | N40 | 118.6° | 118.5° |
| C03 | C02 | N01 | 121.0° | 120.8° |
| C18 | C19 | C20 | 110.5° | 109.5° |
| C19 | C18 | H23 | 109.5° | 109.4° |
| C19 | C18 | H24 | 109.5° | 109.5° |
| C18 | C19 | H25 | 109.2° | 109.5° |
| C18 | C19 | H26 | 109.2° | 109.5° |
| C39 | N40 | C02 | 121.4° | 121.2° |
| N40 | C39 | H39 | 119.3° | 118.8° |
| C19 | C20 | C21 | 113.6° | 109.5° |
| C19 | C20 | H5 | 108.4° | 109.5° |
| C19 | C20 | H6 | 108.4° | 109.4° |
| C20 | C19 | H25 | 109.2° | 109.4° |
| C20 | C19 | H26 | 109.2° | 109.4° |
| C20 | C21 | C22 | 112.2° | 109.5° |
| C21 | C20 | H5 | 108.4° | 109.5° |
| C21 | C20 | H6 | 108.4° | 109.5° |
| C20 | C21 | H7 | 108.8° | 109.4° |
| C20 | C21 | H8 | 108.8° | 109.5° |
| N40 | C02 | N01 | 120.4° | 120.7° |
| C02 | N01 | H40 | 109.5° | 120.0° |
| C02 | N01 | H41 | 109.5° | 120.0° |
| C24 | C23 | C22 | 112.3° | 109.5° |
| C23 | C24 | C25 | 111.7° | 109.5° |
| C23 | C24 | H11 | 108.9° | 109.5° |
| C23 | C24 | H12 | 108.9° | 109.4° |
| C24 | C23 | H27 | 108.8° | 109.5° |
| C24 | C23 | H28 | 108.8° | 109.5° |
| C23 | C22 | C21 | 112.8° | 109.5° |
| C23 | C22 | H9 | 108.6° | 109.5° |
| C23 | C22 | H10 | 108.6° | 109.4° |
| C22 | C23 | H27 | 108.8° | 109.5° |
| C22 | C23 | H28 | 108.8° | 109.4° |
| C22 | C21 | H7 | 108.8° | 109.5° |
| C22 | C21 | H8 | 108.8° | 109.5° |
| C21 | C22 | H9 | 108.6° | 109.5° |
| C21 | C22 | H10 | 108.6° | 109.4° |
| C24 | C25 | C26 | 113.5° | 109.5° |
| C25 | C24 | H11 | 108.9° | 109.5° |
| C25 | C24 | H12 | 108.9° | 109.5° |
| C24 | C25 | H29 | 108.4° | 109.4° |
| C24 | C25 | H30 | 108.5° | 109.4° |
| C25 | C26 | C27 | 112.0° | 109.5° |
| C25 | C26 | H13 | 108.8° | 109.5° |
| C25 | C26 | H14 | 108.8° | 109.4° |
| C26 | C25 | H29 | 108.5° | 109.5° |
| C26 | C25 | H30 | 108.4° | 109.5° |
| C26 | C27 | C28 | 112.4° | 109.5° |
| C27 | C26 | H13 | 108.8° | 109.5° |
| C27 | C26 | H14 | 108.8° | 109.5° |
| C26 | C27 | H31 | 108.7° | 109.5° |
| C26 | C27 | H32 | 108.7° | 109.4° |
| C27 | C28 | C29 | 113.0° | 109.5° |
| C27 | C28 | H15 | 108.6° | 109.5° |
| C27 | C28 | H16 | 108.6° | 109.4° |
| C28 | C27 | H31 | 108.8° | 109.5° |
| C28 | C27 | H32 | 108.7° | 109.5° |
| C29 | C28 | H15 | 108.6° | 109.5° |
| C29 | C28 | H16 | 108.6° | 109.5° |
| C28 | C29 | H33 | 109.5° | 109.4° |
| C28 | C29 | H34 | 109.5° | 109.5° |
| C28 | C29 | H35 | 109.5° | 109.5° |
| H1 | C15 | H2 | 109.5° | 109.4° |
| H3 | C17 | H4 | 109.5° | 109.5° |
| H5 | C20 | H6 | 109.5° | 109.5° |
| H7 | C21 | H8 | 109.4° | 109.5° |
| H9 | C22 | H10 | 109.5° | 109.5° |
| H11 | C24 | H12 | 109.5° | 109.4° |
| H13 | C26 | H14 | 109.5° | 109.5° |
| H15 | C28 | H16 | 109.5° | 109.5° |
| H19 | C09 | H20 | 109.5° | 109.5° |
| H21 | C16 | H22 | 109.5° | 109.5° |
| H23 | C18 | H24 | 109.5° | 109.5° |
| H25 | C19 | H26 | 109.5° | 109.6° |
| H27 | C23 | H28 | 109.5° | 109.5° |
| H29 | C25 | H30 | 109.5° | 109.4° |
| H31 | C27 | H32 | 109.5° | 109.4° |
| H33 | C29 | H34 | 109.5° | 109.5° |
| H33 | C29 | H35 | 109.5° | 109.4° |
| H34 | C29 | H35 | 109.5° | 109.5° |
| H40 | N01 | H41 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O12 | P11 | O31 | O10 | 119.5° | 120.0° |
| O12 | P11 | O31 | O13 | 117.0° | 119.9° |
| O12 | P11 | O10 | O13 | 117.1° | 120.0° |
| O12 | P11 | O10 | C09 | 164.5° | 55.0° |
| O12 | P11 | O13 | C14 | 119.5° | 54.9° |
| O12 | P11 | O31 | H42 | 0.0° | 180.0° |
| O31 | P11 | O10 | O13 | 122.7° | 120.0° |
| O31 | P11 | O10 | C09 | 44.3° | 65.0° |
| O31 | P11 | O13 | C14 | 121.1° | 65.0° |
| O10 | P11 | O13 | C14 | 0.7° | 175.0° |
| P11 | O10 | C09 | C08 | 177.5° | 180.0° |
| P11 | O10 | C09 | H19 | 62.8° | 60.1° |
| P11 | O10 | C09 | H20 | 57.7° | 60.0° |
| O10 | P11 | O31 | H42 | 119.5° | 60.0° |
| O13 | P11 | O10 | C09 | 78.4° | 175.0° |
| P11 | O13 | C14 | O30 | 36.7° | 0.0° |
| P11 | O13 | C14 | C15 | 143.8° | 180.0° |
| O13 | P11 | O31 | H42 | 116.9° | 60.1° |
| O10 | C09 | C08 | H19 | 119.8° | 120.0° |
| O10 | C09 | C08 | H20 | 119.7° | 120.0° |
| O10 | C09 | C08 | O07 | 56.7° | 66.5° |
| O10 | C09 | C08 | C32 | 170.1° | 175.7° |
| O10 | C09 | C08 | H18 | 64.2° | 54.6° |
| O10 | C09 | H19 | H20 | 120.7° | 120.1° |
| O13 | C14 | O30 | C15 | 179.6° | 179.9° |
| O13 | C14 | C15 | C16 | 172.0° | 180.0° |
| O13 | C14 | C15 | H1 | 51.8° | 60.0° |
| O13 | C14 | C15 | H2 | 67.7° | 60.0° |
| C09 | C08 | O07 | C32 | 117.2° | 119.5° |
| C09 | C08 | O07 | H18 | 121.7° | 121.1° |
| C09 | C08 | C32 | H18 | 123.5° | 121.2° |
| C09 | C08 | C32 | O33 | 76.8° | 119.8° |
| C09 | C08 | O07 | C06 | 148.7° | 146.0° |
| C09 | C08 | C32 | C34 | 165.1° | 121.5° |
| C08 | C09 | H19 | H20 | 120.7° | 119.9° |
| C09 | C08 | C32 | H36 | 47.7° | 2.8° |
| O07 | C08 | C32 | H18 | 117.6° | 119.4° |
| O07 | C08 | C32 | O33 | 164.3° | 120.7° |
| O07 | C08 | C32 | C34 | 46.1° | 2.1° |
| C08 | O07 | C06 | C34 | 0.3° | 40.0° |
| C08 | O07 | C06 | N05 | 113.8° | 158.6° |
| C08 | O07 | C06 | H17 | 120.3° | 78.6° |
| O07 | C08 | C09 | H19 | 63.0° | 173.5° |
| O07 | C08 | C09 | H20 | 176.5° | 53.6° |
| O07 | C08 | C32 | H36 | 71.3° | 116.6° |
| C08 | C32 | O33 | C34 | 110.2° | 114.8° |
| C08 | C32 | O33 | H36 | 126.5° | 122.6° |
| C08 | C32 | C34 | O35 | 69.4° | 139.0° |
| C32 | C08 | O07 | C06 | 31.5° | 26.4° |
| C08 | C32 | C34 | H36 | 120.2° | 118.7° |
| C08 | C32 | C34 | C06 | 47.0° | 20.8° |
| C32 | C08 | C09 | H19 | 50.4° | 55.7° |
| C32 | C08 | C09 | H20 | 70.1° | 64.3° |
| C08 | C32 | C34 | H37 | 163.9° | 97.4° |
| C08 | C32 | O33 | H43 | 180.0° | 180.0° |
| O33 | C32 | C34 | O35 | 47.0° | 20.3° |
| O33 | C32 | C34 | H36 | 123.4° | 122.7° |
| O33 | C32 | C34 | C06 | 163.4° | 97.9° |
| O33 | C32 | C08 | H18 | 46.7° | 1.4° |
| O33 | C32 | C34 | H37 | 79.7° | 143.9° |
| O30 | C14 | C15 | C16 | 7.6° | 0.1° |
| O30 | C14 | C15 | H1 | 127.8° | 120.0° |
| O30 | C14 | C15 | H2 | 112.7° | 120.0° |
| C14 | C15 | C16 | H1 | 120.3° | 120.1° |
| C14 | C15 | C16 | H2 | 120.2° | 120.0° |
| C14 | C15 | C16 | C17 | 160.1° | 180.0° |
| C14 | C15 | H1 | H2 | 119.2° | 120.0° |
| C14 | C15 | C16 | H21 | 39.8° | 60.0° |
| C14 | C15 | C16 | H22 | 79.7° | 60.0° |
| O35 | C34 | C06 | O07 | 90.6° | 155.2° |
| O35 | C34 | C32 | C06 | 116.4° | 118.2° |
| O35 | C34 | C32 | H37 | 126.7° | 123.6° |
| O35 | C34 | C06 | H37 | 125.5° | 123.6° |
| O35 | C34 | C06 | N05 | 150.9° | 86.3° |
| O35 | C34 | C06 | H17 | 32.2° | 36.6° |
| O35 | C34 | C32 | H36 | 170.4° | 102.3° |
| O07 | C06 | C34 | C32 | 26.7° | 37.0° |
| O07 | C06 | C34 | N05 | 118.6° | 118.6° |
| O07 | C06 | C34 | H17 | 122.7° | 118.6° |
| O07 | C06 | N05 | H17 | 127.7° | 122.9° |
| O07 | C06 | N05 | C36 | 18.6° | 21.4° |
| O07 | C06 | N05 | C04 | 163.2° | 158.6° |
| C06 | O07 | C08 | H18 | 89.6° | 92.9° |
| O07 | C06 | C34 | H37 | 143.9° | 81.2° |
| C32 | C34 | C06 | H37 | 117.2° | 118.2° |
| C32 | C34 | C06 | N05 | 91.9° | 155.5° |
| C32 | C34 | C06 | H17 | 149.4° | 81.6° |
| C34 | C32 | C08 | H18 | 71.4° | 117.3° |
| C34 | C32 | O33 | H43 | 69.9° | 65.3° |
| C32 | C34 | O35 | H44 | 180.0° | 61.5° |
| C15 | C16 | C17 | H21 | 120.2° | 120.0° |
| C15 | C16 | C17 | H22 | 120.2° | 120.0° |
| C15 | C16 | C17 | C18 | 178.4° | 179.9° |
| C16 | C15 | H1 | H2 | 119.2° | 120.0° |
| C15 | C16 | C17 | H3 | 57.7° | 60.0° |
| C15 | C16 | C17 | H4 | 60.9° | 60.0° |
| C15 | C16 | H21 | H22 | 119.3° | 120.0° |
| C34 | C06 | N05 | H17 | 118.1° | 122.9° |
| C34 | C06 | N05 | C36 | 95.6° | 92.8° |
| C34 | C06 | N05 | C04 | 82.6° | 87.2° |
| C06 | C34 | C32 | H36 | 73.1° | 139.5° |
| C06 | C34 | O35 | H44 | 69.2° | 174.2° |
| C06 | N05 | C36 | C04 | 178.4° | 180.0° |
| C06 | N05 | C36 | N37 | 179.2° | 180.0° |
| C06 | N05 | C04 | N38 | 1.2° | 0.0° |
| C06 | N05 | C04 | C03 | 179.3° | 180.0° |
| N05 | C06 | C34 | H37 | 25.3° | 37.3° |
| C06 | N05 | C36 | H38 | 0.9° | 0.0° |
| C16 | C17 | C18 | H3 | 120.7° | 119.9° |
| C16 | C17 | C18 | H4 | 120.7° | 120.0° |
| C16 | C17 | C18 | C19 | 151.4° | 180.0° |
| C17 | C16 | C15 | H1 | 79.7° | 60.0° |
| C17 | C16 | C15 | H2 | 39.9° | 60.0° |
| C16 | C17 | H3 | H4 | 117.7° | 120.1° |
| C17 | C16 | H21 | H22 | 119.3° | 120.0° |
| C16 | C17 | C18 | H23 | 88.6° | 60.0° |
| C16 | C17 | C18 | H24 | 31.4° | 60.0° |
| N05 | C36 | N37 | H38 | 180.0° | 180.0° |
| C36 | N05 | C04 | N38 | 179.7° | 180.0° |
| C36 | N05 | C04 | C03 | 0.8° | 0.0° |
| N05 | C36 | N37 | C03 | 0.4° | 0.0° |
| C36 | N05 | C06 | H17 | 146.4° | 144.3° |
| C04 | N05 | C36 | N37 | 0.8° | 0.0° |
| N05 | C04 | N38 | C03 | 179.5° | 180.0° |
| N05 | C04 | N38 | C39 | 179.9° | 180.0° |
| N05 | C04 | C03 | N37 | 0.5° | 0.0° |
| N05 | C04 | C03 | C02 | 179.9° | 180.0° |
| C04 | N05 | C06 | H17 | 35.5° | 35.7° |
| C04 | N05 | C36 | H38 | 179.2° | 180.0° |
| C36 | N37 | C03 | C04 | 0.1° | 0.0° |
| C36 | N37 | C03 | C02 | 179.6° | 180.0° |
| C17 | C18 | C19 | H23 | 120.0° | 120.0° |
| C17 | C18 | C19 | H24 | 120.0° | 120.1° |
| C17 | C18 | C19 | C20 | 83.9° | 180.0° |
| C18 | C17 | H3 | H4 | 117.7° | 120.0° |
| C18 | C17 | C16 | H21 | 61.4° | 60.0° |
| C18 | C17 | C16 | H22 | 58.2° | 59.9° |
| C17 | C18 | H23 | H24 | 120.1° | 120.1° |
| C17 | C18 | C19 | H25 | 36.3° | 60.0° |
| C17 | C18 | C19 | H26 | 156.0° | 60.1° |
| N38 | C04 | C03 | N37 | 179.9° | 180.0° |
| N38 | C04 | C03 | C02 | 0.3° | 0.0° |
| C04 | N38 | C39 | N40 | 0.5° | 0.0° |
| C04 | N38 | C39 | H39 | 179.5° | 179.9° |
| C03 | C04 | N38 | C39 | 0.4° | 0.0° |
| C04 | C03 | N37 | C02 | 179.5° | 179.9° |
| C04 | C03 | C02 | N40 | 0.1° | 0.1° |
| C04 | C03 | C02 | N01 | 179.8° | 179.7° |
| N38 | C39 | N40 | H39 | 180.0° | 180.0° |
| N38 | C39 | N40 | C02 | 0.3° | 0.0° |
| N37 | C03 | C02 | N40 | 179.6° | 180.0° |
| N37 | C03 | C02 | N01 | 0.3° | 0.3° |
| C03 | N37 | C36 | H38 | 179.6° | 180.0° |
| C03 | C02 | N40 | C39 | 0.2° | 0.1° |
| C03 | C02 | N40 | N01 | 179.9° | 179.8° |
| C03 | C02 | N01 | H40 | 179.9° | 179.8° |
| C03 | C02 | N01 | H41 | 60.1° | 0.3° |
| C18 | C19 | C20 | H25 | 120.1° | 120.0° |
| C18 | C19 | C20 | H26 | 120.2° | 120.0° |
| C18 | C19 | C20 | C21 | 176.0° | 180.0° |
| C19 | C18 | C17 | H3 | 30.7° | 60.1° |
| C19 | C18 | C17 | H4 | 87.9° | 60.0° |
| C18 | C19 | C20 | H5 | 63.3° | 60.0° |
| C18 | C19 | C20 | H6 | 55.4° | 60.0° |
| C19 | C18 | H23 | H24 | 120.1° | 120.0° |
| C18 | C19 | H25 | H26 | 119.5° | 120.0° |
| C39 | N40 | C02 | N01 | 179.7° | 179.7° |
| C19 | C20 | C21 | H5 | 120.6° | 120.0° |
| C19 | C20 | C21 | H6 | 120.6° | 119.9° |
| C19 | C20 | C21 | C22 | 141.3° | 180.0° |
| C19 | C20 | H5 | H6 | 118.1° | 120.0° |
| C19 | C20 | C21 | H7 | 98.2° | 60.0° |
| C19 | C20 | C21 | H8 | 20.9° | 60.0° |
| C20 | C19 | C18 | H23 | 156.2° | 60.0° |
| C20 | C19 | C18 | H24 | 36.1° | 60.0° |
| C20 | C19 | H25 | H26 | 119.5° | 120.0° |
| C20 | C21 | C22 | C23 | 98.6° | 179.9° |
| C20 | C21 | C22 | H7 | 120.4° | 120.0° |
| C20 | C21 | C22 | H8 | 120.4° | 120.0° |
| C21 | C20 | H5 | H6 | 118.1° | 120.0° |
| C20 | C21 | H7 | H8 | 118.8° | 120.0° |
| C20 | C21 | C22 | H9 | 22.0° | 60.0° |
| C20 | C21 | C22 | H10 | 141.0° | 60.0° |
| C21 | C20 | C19 | H25 | 55.9° | 60.0° |
| C21 | C20 | C19 | H26 | 63.8° | 60.0° |
| C02 | N40 | C39 | H39 | 179.7° | 180.0° |
| N40 | C02 | N01 | H40 | 0.0° | 0.1° |
| N40 | C02 | N01 | H41 | 120.0° | 180.0° |
| C02 | N01 | H40 | H41 | 120.0° | 179.9° |
| C24 | C23 | C22 | H27 | 120.4° | 120.1° |
| C24 | C23 | C22 | H28 | 120.4° | 119.9° |
| C24 | C23 | C22 | C21 | 109.7° | 180.0° |
| C23 | C24 | C25 | H11 | 120.4° | 120.0° |
| C23 | C24 | C25 | H12 | 120.3° | 120.0° |
| C23 | C24 | C25 | C26 | 176.1° | 180.0° |
| C24 | C23 | C22 | H9 | 129.7° | 60.0° |
| C24 | C23 | C22 | H10 | 10.8° | 60.1° |
| C23 | C24 | H11 | H12 | 119.0° | 120.0° |
| C24 | C23 | H27 | H28 | 118.7° | 120.0° |
| C23 | C24 | C25 | H29 | 63.3° | 59.9° |
| C23 | C24 | C25 | H30 | 55.5° | 60.0° |
| C23 | C22 | C21 | H9 | 120.5° | 120.1° |
| C23 | C22 | C21 | H10 | 120.5° | 119.9° |
| C22 | C23 | C24 | C25 | 131.1° | 180.0° |
| C23 | C22 | C21 | H7 | 21.9° | 60.0° |
| C23 | C22 | C21 | H8 | 141.0° | 60.1° |
| C23 | C22 | H9 | H10 | 118.4° | 120.0° |
| C22 | C23 | C24 | H11 | 108.5° | 59.9° |
| C22 | C23 | C24 | H12 | 10.8° | 60.0° |
| C22 | C23 | H27 | H28 | 118.8° | 119.9° |
| C22 | C21 | C20 | H5 | 20.7° | 60.0° |
| C22 | C21 | C20 | H6 | 98.1° | 60.0° |
| C22 | C21 | H7 | H8 | 118.7° | 120.0° |
| C21 | C22 | H9 | H10 | 118.5° | 120.0° |
| C21 | C22 | C23 | H27 | 10.6° | 59.9° |
| C21 | C22 | C23 | H28 | 129.8° | 60.1° |
| C24 | C25 | C26 | H29 | 120.6° | 120.0° |
| C24 | C25 | C26 | H30 | 120.6° | 120.0° |
| C24 | C25 | C26 | C27 | 170.3° | 180.0° |
| C25 | C24 | H11 | H12 | 119.0° | 120.0° |
| C24 | C25 | C26 | H13 | 69.4° | 60.0° |
| C24 | C25 | C26 | H14 | 49.9° | 60.0° |
| C25 | C24 | C23 | H27 | 108.4° | 60.0° |
| C25 | C24 | C23 | H28 | 10.7° | 60.1° |
| C24 | C25 | H29 | H30 | 118.2° | 119.9° |
| C25 | C26 | C27 | H13 | 120.4° | 120.0° |
| C25 | C26 | C27 | H14 | 120.4° | 119.9° |
| C25 | C26 | C27 | C28 | 147.2° | 180.0° |
| C26 | C25 | C24 | H11 | 55.7° | 60.0° |
| C26 | C25 | C24 | H12 | 63.6° | 60.0° |
| C25 | C26 | H13 | H14 | 118.8° | 120.0° |
| C26 | C25 | H29 | H30 | 118.1° | 120.0° |
| C25 | C26 | C27 | H31 | 26.8° | 59.9° |
| C25 | C26 | C27 | H32 | 92.4° | 60.0° |
| C26 | C27 | C28 | H31 | 120.4° | 120.0° |
| C26 | C27 | C28 | H32 | 120.4° | 120.0° |
| C26 | C27 | C28 | C29 | 121.1° | 180.0° |
| C27 | C26 | H13 | H14 | 118.9° | 120.0° |
| C26 | C27 | C28 | H15 | 0.6° | 60.0° |
| C26 | C27 | C28 | H16 | 118.4° | 60.0° |
| C27 | C26 | C25 | H29 | 49.7° | 60.0° |
| C27 | C26 | C25 | H30 | 69.1° | 60.0° |
| C26 | C27 | H31 | H32 | 118.7° | 119.9° |
| C27 | C28 | C29 | H15 | 120.5° | 120.0° |
| C27 | C28 | C29 | H16 | 120.6° | 120.0° |
| C28 | C27 | C26 | H13 | 92.4° | 60.0° |
| C28 | C27 | C26 | H14 | 26.9° | 60.0° |
| C27 | C28 | H15 | H16 | 118.4° | 120.0° |
| C28 | C27 | H31 | H32 | 118.7° | 120.0° |
| C27 | C28 | C29 | H33 | 180.0° | 60.0° |
| C27 | C28 | C29 | H34 | 60.0° | 180.0° |
| C27 | C28 | C29 | H35 | 60.0° | 60.0° |
| C29 | C28 | H15 | H16 | 118.4° | 120.0° |
| C29 | C28 | C27 | H31 | 118.5° | 60.0° |
| C29 | C28 | C27 | H32 | 0.6° | 60.0° |
| C28 | C29 | H33 | H34 | 120.0° | 120.0° |
| C28 | C29 | H33 | H35 | 120.0° | 120.0° |
| C28 | C29 | H34 | H35 | 120.0° | 120.0° |
| H1 | C15 | C16 | H21 | 160.1° | 180.0° |
| H1 | C15 | C16 | H22 | 40.6° | 60.0° |
| H2 | C15 | C16 | H21 | 80.4° | 60.0° |
| H2 | C15 | C16 | H22 | 160.1° | 180.0° |
| H3 | C17 | C16 | H21 | 177.9° | 179.9° |
| H3 | C17 | C16 | H22 | 62.5° | 60.0° |
| H3 | C17 | C18 | H23 | 150.6° | 180.0° |
| H3 | C17 | C18 | H24 | 89.3° | 60.0° |
| H4 | C17 | C16 | H21 | 59.4° | 60.0° |
| H4 | C17 | C16 | H22 | 178.9° | 180.0° |
| H4 | C17 | C18 | H23 | 32.1° | 60.0° |
| H4 | C17 | C18 | H24 | 152.1° | 180.0° |
| H5 | C20 | C21 | H7 | 141.1° | 60.0° |
| H5 | C20 | C21 | H8 | 99.7° | 180.0° |
| H5 | C20 | C19 | H25 | 176.5° | 180.0° |
| H5 | C20 | C19 | H26 | 56.8° | 60.0° |
| H6 | C20 | C21 | H7 | 22.3° | 179.9° |
| H6 | C20 | C21 | H8 | 141.5° | 60.0° |
| H6 | C20 | C19 | H25 | 64.7° | 59.9° |
| H6 | C20 | C19 | H26 | 175.6° | 180.0° |
| H7 | C21 | C22 | H9 | 142.4° | 180.0° |
| H7 | C21 | C22 | H10 | 98.6° | 60.0° |
| H8 | C21 | C22 | H9 | 98.4° | 60.0° |
| H8 | C21 | C22 | H10 | 20.5° | 180.0° |
| H9 | C22 | C23 | H27 | 109.9° | 180.0° |
| H9 | C22 | C23 | H28 | 9.3° | 60.0° |
| H10 | C22 | C23 | H27 | 131.2° | 60.0° |
| H10 | C22 | C23 | H28 | 109.7° | 180.0° |
| H11 | C24 | C23 | H27 | 11.9° | 180.0° |
| H11 | C24 | C23 | H28 | 131.1° | 60.0° |
| H11 | C24 | C25 | H29 | 176.3° | 180.0° |
| H11 | C24 | C25 | H30 | 64.9° | 60.0° |
| H12 | C24 | C23 | H27 | 131.2° | 60.0° |
| H12 | C24 | C23 | H28 | 109.6° | 179.9° |
| H12 | C24 | C25 | H29 | 57.0° | 60.0° |
| H12 | C24 | C25 | H30 | 175.8° | 180.0° |
| H13 | C26 | C25 | H29 | 170.1° | 180.0° |
| H13 | C26 | C25 | H30 | 51.2° | 60.0° |
| H13 | C26 | C27 | H31 | 147.1° | 180.0° |
| H13 | C26 | C27 | H32 | 28.0° | 60.0° |
| H14 | C26 | C25 | H29 | 70.7° | 60.0° |
| H14 | C26 | C25 | H30 | 170.5° | 180.0° |
| H14 | C26 | C27 | H31 | 93.6° | 60.0° |
| H14 | C26 | C27 | H32 | 147.3° | 179.9° |
| H15 | C28 | C27 | H31 | 121.0° | 180.0° |
| H15 | C28 | C27 | H32 | 119.9° | 60.0° |
| H15 | C28 | C29 | H33 | 59.5° | 60.1° |
| H15 | C28 | C29 | H34 | 179.5° | 60.0° |
| H15 | C28 | C29 | H35 | 60.5° | 180.0° |
| H16 | C28 | C27 | H31 | 2.1° | 60.0° |
| H16 | C28 | C27 | H32 | 121.2° | 180.0° |
| H16 | C28 | C29 | H33 | 59.5° | 180.0° |
| H16 | C28 | C29 | H34 | 60.6° | 60.0° |
| H16 | C28 | C29 | H35 | 179.4° | 60.0° |
| H17 | C06 | C34 | H37 | 93.4° | 160.2° |
| H18 | C08 | C09 | H19 | 176.0° | 65.4° |
| H18 | C08 | C09 | H20 | 55.6° | 174.6° |
| H18 | C08 | C32 | H36 | 171.2° | 124.0° |
| H23 | C18 | C19 | H25 | 83.7° | 60.0° |
| H23 | C18 | C19 | H26 | 36.0° | 179.9° |
| H24 | C18 | C19 | H25 | 156.3° | 179.9° |
| H24 | C18 | C19 | H26 | 84.0° | 60.0° |
| H33 | C29 | H34 | H35 | 120.0° | 120.0° |
| H36 | C32 | C34 | H37 | 43.7° | 21.3° |
| H36 | C32 | O33 | H43 | 53.5° | 57.4° |
| H37 | C34 | O35 | H44 | 54.7° | 62.2° |
