5AU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| HN01 | N01 | sing | 1.01Å | 1.00Å | |
| HN0A | N01 | sing | 1.01Å | 1.00Å | |
| N01 | C02 | sing | 1.47Å | 1.50Å | |
| C03 | C02 | sing | 1.53Å | 1.58Å | |
| C45 | C02 | sing | 1.51Å | 1.58Å | |
| C02 | H02 | sing | 1.09Å | 1.10Å | |
| H03A | C03 | sing | 1.09Å | 1.10Å | |
| H03 | C03 | sing | 1.09Å | 1.10Å | |
| C03 | C04 | sing | 1.53Å | 1.58Å | |
| H04 | C04 | sing | 1.09Å | 1.10Å | |
| C04 | H04A | sing | 1.09Å | 1.10Å | |
| C04 | C05 | sing | 1.51Å | 1.54Å | |
| O06 | C05 | doub | 1.21Å | 1.29Å | |
| C05 | N07 | sing | 1.35Å | 1.37Å | |
| N07 | HN07 | sing | 0.97Å | 1.00Å | |
| N07 | C08 | sing | 1.47Å | 1.46Å | |
| H08 | C08 | sing | 1.09Å | 1.10Å | |
| C08 | C09 | sing | 1.53Å | 1.47Å | |
| C08 | C38 | sing | 1.51Å | 1.54Å | |
| S10 | C09 | sing | 1.81Å | 1.78Å | |
| C09 | H09 | sing | 1.09Å | 1.10Å | |
| C09 | H09A | sing | 1.09Å | 1.10Å | |
| S10 | AS1 | sing | 2.24Å | 2.30Å | |
| C13 | S12 | sing | 1.81Å | 1.81Å | |
| AS1 | S12 | sing | 2.24Å | 2.42Å | |
| H13A | C13 | sing | 1.09Å | 1.10Å | |
| H13 | C13 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.53Å | 1.58Å | |
| C25 | C14 | sing | 1.51Å | 1.54Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | N15 | sing | 1.47Å | 1.48Å | |
| HN15 | N15 | sing | 0.97Å | 1.00Å | |
| N15 | C16 | sing | 1.35Å | 1.41Å | |
| C16 | O17 | doub | 1.21Å | 1.26Å | |
| C16 | C18 | sing | 1.51Å | 1.55Å | |
| H18 | C18 | sing | 1.09Å | 1.10Å | |
| H18A | C18 | sing | 1.09Å | 1.10Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| H19 | C19 | sing | 1.09Å | 1.10Å | |
| C19 | C20 | sing | 1.53Å | 1.54Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| H20 | C20 | sing | 1.09Å | 1.10Å | |
| C20 | C22 | sing | 1.51Å | 1.54Å | |
| C20 | N21 | sing | 1.47Å | 1.47Å | |
| N21 | HN21 | sing | 1.01Å | 1.00Å | |
| N21 | HN2A | sing | 1.01Å | 1.00Å | |
| O24 | C22 | doub | 1.21Å | 1.29Å | |
| C22 | O23 | sing | 1.34Å | 1.26Å | |
| O23 | HO23 | sing | 0.97Å | 0.95Å | |
| O26 | C25 | doub | 1.21Å | 1.29Å | |
| N27 | C25 | sing | 1.35Å | 1.34Å | |
| C28 | N27 | sing | 1.47Å | 1.44Å | |
| N27 | HN27 | sing | 0.97Å | 1.00Å | |
| H28A | C28 | sing | 1.09Å | 1.10Å | |
| H28 | C28 | sing | 1.09Å | 1.10Å | |
| C29 | C28 | sing | 1.51Å | 1.58Å | |
| O30 | C29 | doub | 1.21Å | 1.27Å | |
| C29 | O31 | sing | 1.34Å | 1.26Å | |
| O31 | HO31 | sing | 0.97Å | 0.95Å | |
| C37 | C32 | doub | 1.38Å | 1.41Å | Aromatic |
| C33 | C32 | sing | 1.38Å | 1.38Å | Aromatic |
| C32 | AS1 | sing | 1.99Å | 2.05Å | |
| C34 | C33 | doub | 1.38Å | 1.41Å | Aromatic |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C35 | C34 | sing | 1.38Å | 1.40Å | Aromatic |
| H34 | C34 | sing | 1.08Å | 1.08Å | |
| H35 | C35 | sing | 1.08Å | 1.08Å | |
| C35 | C36 | doub | 1.38Å | 1.40Å | Aromatic |
| H36 | C36 | sing | 1.08Å | 1.08Å | |
| C36 | C37 | sing | 1.38Å | 1.41Å | Aromatic |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C38 | N40 | sing | 1.35Å | 1.34Å | |
| C38 | O39 | doub | 1.21Å | 1.27Å | |
| HN40 | N40 | sing | 0.97Å | 1.00Å | |
| N40 | C41 | sing | 1.47Å | 1.42Å | |
| H41A | C41 | sing | 1.09Å | 1.10Å | |
| C41 | C42 | sing | 1.51Å | 1.54Å | |
| C41 | H41 | sing | 1.09Å | 1.10Å | |
| O44 | C42 | doub | 1.21Å | 1.26Å | |
| C42 | O43 | sing | 1.34Å | 1.27Å | |
| O43 | HO43 | sing | 0.97Å | 0.95Å | |
| O47 | C45 | doub | 1.21Å | 1.27Å | |
| C45 | O46 | sing | 1.34Å | 1.28Å | |
| O46 | HO46 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| HN01 | N01 | HN0A | 109.4° | 111.0° |
| HN01 | N01 | C02 | 109.5° | 111.0° |
| HN0A | N01 | C02 | 109.5° | 111.1° |
| N01 | C02 | C03 | 110.9° | 109.5° |
| N01 | C02 | C45 | 108.5° | 109.5° |
| N01 | C02 | H02 | 108.9° | 109.5° |
| C03 | C02 | C45 | 112.7° | 109.4° |
| C03 | C02 | H02 | 107.9° | 109.5° |
| C02 | C03 | H03A | 108.0° | 109.5° |
| C02 | C03 | H03 | 108.1° | 109.5° |
| C02 | C03 | C04 | 115.0° | 109.4° |
| C45 | C02 | H02 | 107.9° | 109.5° |
| C02 | C45 | O47 | 117.5° | 120.0° |
| C02 | C45 | O46 | 121.3° | 120.0° |
| H03A | C03 | H03 | 109.5° | 109.5° |
| H03A | C03 | C04 | 108.1° | 109.4° |
| H03 | C03 | C04 | 108.1° | 109.4° |
| C03 | C04 | H04 | 107.8° | 109.4° |
| C03 | C04 | H04A | 107.8° | 109.5° |
| C03 | C04 | C05 | 116.3° | 109.5° |
| H04 | C04 | H04A | 109.5° | 109.5° |
| H04 | C04 | C05 | 107.7° | 109.5° |
| H04A | C04 | C05 | 107.7° | 109.5° |
| C04 | C05 | O06 | 116.6° | 120.0° |
| C04 | C05 | N07 | 126.3° | 120.0° |
| O06 | C05 | N07 | 117.1° | 120.0° |
| C05 | N07 | HN07 | 117.0° | 120.0° |
| C05 | N07 | C08 | 126.0° | 120.0° |
| HN07 | N07 | C08 | 117.0° | 120.0° |
| N07 | C08 | H08 | 103.6° | 109.5° |
| N07 | C08 | C09 | 114.2° | 109.5° |
| N07 | C08 | C38 | 121.2° | 109.5° |
| H08 | C08 | C09 | 103.5° | 109.5° |
| H08 | C08 | C38 | 102.8° | 109.5° |
| C09 | C08 | C38 | 109.2° | 109.4° |
| C08 | C09 | S10 | 107.2° | 109.4° |
| C08 | C09 | H09 | 110.0° | 109.5° |
| C08 | C09 | H09A | 110.0° | 109.5° |
| C08 | C38 | N40 | 118.8° | 120.0° |
| C08 | C38 | O39 | 114.6° | 120.0° |
| S10 | C09 | H09 | 110.0° | 109.5° |
| S10 | C09 | H09A | 110.0° | 109.4° |
| C09 | S10 | AS1 | 108.0° | 103.0° |
| H09 | C09 | H09A | 109.5° | 109.5° |
| S10 | AS1 | S12 | 109.2° | 109.5° |
| S10 | AS1 | C32 | 101.6° | 109.5° |
| C13 | S12 | AS1 | 107.4° | 103.0° |
| S12 | C13 | H13A | 108.8° | 109.5° |
| S12 | C13 | H13 | 108.8° | 109.5° |
| S12 | C13 | C14 | 112.2° | 109.5° |
| S12 | AS1 | C32 | 104.5° | 109.5° |
| H13A | C13 | H13 | 109.5° | 109.5° |
| H13A | C13 | C14 | 108.8° | 109.5° |
| H13 | C13 | C14 | 108.8° | 109.5° |
| C13 | C14 | C25 | 111.8° | 109.5° |
| C13 | C14 | H14 | 105.4° | 109.4° |
| C13 | C14 | N15 | 114.9° | 109.5° |
| C25 | C14 | H14 | 105.8° | 109.5° |
| C25 | C14 | N15 | 111.6° | 109.5° |
| C14 | C25 | O26 | 111.7° | 120.0° |
| C14 | C25 | N27 | 123.6° | 120.0° |
| H14 | C14 | N15 | 106.6° | 109.4° |
| C14 | N15 | HN15 | 117.4° | 120.0° |
| C14 | N15 | C16 | 125.2° | 120.0° |
| HN15 | N15 | C16 | 117.4° | 120.0° |
| N15 | C16 | O17 | 123.2° | 120.0° |
| N15 | C16 | C18 | 118.6° | 120.0° |
| O17 | C16 | C18 | 118.2° | 120.0° |
| C16 | C18 | H18 | 107.9° | 109.4° |
| C16 | C18 | H18A | 107.9° | 109.5° |
| C16 | C18 | C19 | 115.7° | 109.5° |
| H18 | C18 | H18A | 109.4° | 109.5° |
| H18 | C18 | C19 | 107.9° | 109.5° |
| H18A | C18 | C19 | 107.9° | 109.5° |
| C18 | C19 | H19 | 108.7° | 109.5° |
| C18 | C19 | C20 | 112.7° | 109.5° |
| C18 | C19 | H19A | 108.7° | 109.5° |
| H19 | C19 | C20 | 108.6° | 109.5° |
| H19 | C19 | H19A | 109.5° | 109.4° |
| C20 | C19 | H19A | 108.6° | 109.5° |
| C19 | C20 | H20 | 108.3° | 109.4° |
| C19 | C20 | C22 | 111.3° | 109.5° |
| C19 | C20 | N21 | 110.0° | 109.4° |
| H20 | C20 | C22 | 108.3° | 109.5° |
| H20 | C20 | N21 | 109.2° | 109.5° |
| C22 | C20 | N21 | 109.7° | 109.5° |
| C20 | C22 | O24 | 116.8° | 120.0° |
| C20 | C22 | O23 | 118.9° | 120.0° |
| C20 | N21 | HN21 | 109.5° | 111.0° |
| C20 | N21 | HN2A | 109.5° | 111.0° |
| HN21 | N21 | HN2A | 109.4° | 111.0° |
| O24 | C22 | O23 | 124.3° | 120.0° |
| C22 | O23 | HO23 | 109.5° | 117.0° |
| O26 | C25 | N27 | 124.6° | 120.0° |
| C25 | N27 | C28 | 122.2° | 120.0° |
| C25 | N27 | HN27 | 118.9° | 119.9° |
| C28 | N27 | HN27 | 118.9° | 120.1° |
| N27 | C28 | H28A | 107.4° | 109.5° |
| N27 | C28 | H28 | 107.3° | 109.5° |
| N27 | C28 | C29 | 117.8° | 109.4° |
| H28A | C28 | H28 | 109.5° | 109.5° |
| H28A | C28 | C29 | 107.4° | 109.5° |
| H28 | C28 | C29 | 107.4° | 109.5° |
| C28 | C29 | O30 | 115.3° | 120.0° |
| C28 | C29 | O31 | 119.0° | 120.0° |
| O30 | C29 | O31 | 125.7° | 120.0° |
| C29 | O31 | HO31 | 109.5° | 117.0° |
| C37 | C32 | C33 | 120.0° | 120.0° |
| C37 | C32 | AS1 | 117.4° | 120.0° |
| C32 | C37 | C36 | 120.5° | 120.0° |
| C32 | C37 | H37 | 119.8° | 120.0° |
| C33 | C32 | AS1 | 122.6° | 120.0° |
| C32 | C33 | C34 | 119.7° | 120.0° |
| C32 | C33 | H33 | 120.2° | 120.0° |
| C34 | C33 | H33 | 120.1° | 120.0° |
| C33 | C34 | C35 | 121.1° | 120.0° |
| C33 | C34 | H34 | 119.5° | 120.0° |
| C35 | C34 | H34 | 119.4° | 120.1° |
| C34 | C35 | H35 | 120.5° | 120.0° |
| C34 | C35 | C36 | 119.1° | 120.0° |
| H35 | C35 | C36 | 120.5° | 120.0° |
| C35 | C36 | H36 | 120.2° | 120.0° |
| C35 | C36 | C37 | 119.7° | 120.0° |
| H36 | C36 | C37 | 120.2° | 120.0° |
| C36 | C37 | H37 | 119.8° | 120.0° |
| N40 | C38 | O39 | 126.6° | 120.0° |
| C38 | N40 | HN40 | 118.8° | 120.0° |
| C38 | N40 | C41 | 122.4° | 120.0° |
| HN40 | N40 | C41 | 118.8° | 120.0° |
| N40 | C41 | H41A | 109.3° | 109.5° |
| N40 | C41 | C42 | 110.0° | 109.4° |
| N40 | C41 | H41 | 109.4° | 109.5° |
| H41A | C41 | C42 | 109.3° | 109.5° |
| H41A | C41 | H41 | 109.5° | 109.5° |
| C42 | C41 | H41 | 109.3° | 109.5° |
| C41 | C42 | O44 | 118.9° | 120.0° |
| C41 | C42 | O43 | 116.1° | 120.0° |
| O44 | C42 | O43 | 125.0° | 120.0° |
| C42 | O43 | HO43 | 109.5° | 117.0° |
| O47 | C45 | O46 | 121.2° | 120.0° |
| C45 | O46 | HO46 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| HN01 | N01 | HN0A | C02 | 120.0° | 124.0° |
| HN01 | N01 | C02 | C03 | 180.0° | 174.6° |
| HN01 | N01 | C02 | C45 | 55.7° | 65.5° |
| HN01 | N01 | C02 | H02 | 61.5° | 54.6° |
| HN0A | N01 | C02 | C03 | 60.0° | 61.5° |
| HN0A | N01 | C02 | C45 | 64.3° | 58.5° |
| HN0A | N01 | C02 | H02 | 178.5° | 178.5° |
| N01 | C02 | C03 | C45 | 121.9° | 120.0° |
| N01 | C02 | C03 | H02 | 119.1° | 120.1° |
| N01 | C02 | C45 | H02 | 117.8° | 120.0° |
| N01 | C02 | C03 | H03A | 20.1° | 176.1° |
| N01 | C02 | C03 | H03 | 138.5° | 56.0° |
| N01 | C02 | C03 | C04 | 100.7° | 64.0° |
| N01 | C02 | C45 | O47 | 10.9° | 20.0° |
| N01 | C02 | C45 | O46 | 169.8° | 160.0° |
| C03 | C02 | C45 | H02 | 119.0° | 120.0° |
| C02 | C03 | H03A | H03 | 117.5° | 120.1° |
| C02 | C03 | H03A | C04 | 125.1° | 120.0° |
| C02 | C03 | H03 | C04 | 125.1° | 120.0° |
| C02 | C03 | C04 | H04 | 38.3° | 55.2° |
| C02 | C03 | C04 | H04A | 156.4° | 64.8° |
| C02 | C03 | C04 | C05 | 82.7° | 175.2° |
| C03 | C02 | C45 | O47 | 134.2° | 100.0° |
| C03 | C02 | C45 | O46 | 46.5° | 80.0° |
| C45 | C02 | C03 | H03A | 101.8° | 56.1° |
| C45 | C02 | C03 | H03 | 16.5° | 64.0° |
| C45 | C02 | C03 | C04 | 137.4° | 176.1° |
| C02 | C45 | O47 | O46 | 179.3° | 180.0° |
| C02 | C45 | O46 | HO46 | 179.3° | 180.0° |
| H02 | C02 | C03 | H03A | 139.2° | 63.9° |
| H02 | C02 | C03 | H03 | 102.4° | 176.0° |
| H02 | C02 | C03 | C04 | 18.4° | 56.1° |
| H02 | C02 | C45 | O47 | 106.9° | 140.0° |
| H02 | C02 | C45 | O46 | 72.4° | 40.0° |
| H03A | C03 | H03 | C04 | 117.5° | 119.9° |
| H03A | C03 | C04 | H04 | 82.5° | 64.8° |
| H03A | C03 | C04 | H04A | 35.5° | 175.2° |
| H03A | C03 | C04 | C05 | 156.5° | 55.2° |
| H03 | C03 | C04 | H04 | 159.1° | 175.2° |
| H03 | C03 | C04 | H04A | 82.8° | 55.3° |
| H03 | C03 | C04 | C05 | 38.1° | 64.8° |
| C03 | C04 | H04 | H04A | 116.9° | 120.0° |
| C03 | C04 | H04 | C05 | 126.2° | 120.0° |
| C03 | C04 | H04A | C05 | 126.2° | 120.0° |
| C03 | C04 | C05 | O06 | 107.4° | 4.9° |
| C03 | C04 | C05 | N07 | 73.1° | 175.1° |
| H04 | C04 | H04A | C05 | 116.9° | 120.1° |
| H04 | C04 | C05 | O06 | 131.6° | 124.8° |
| H04 | C04 | C05 | N07 | 47.9° | 55.2° |
| H04A | C04 | C05 | O06 | 13.6° | 115.2° |
| H04A | C04 | C05 | N07 | 165.9° | 64.9° |
| C04 | C05 | O06 | N07 | 179.6° | 180.0° |
| C04 | C05 | N07 | HN07 | 2.5° | 4.8° |
| C04 | C05 | N07 | C08 | 177.6° | 175.2° |
| O06 | C05 | N07 | HN07 | 177.1° | 175.3° |
| O06 | C05 | N07 | C08 | 2.9° | 4.7° |
| C05 | N07 | HN07 | C08 | 180.0° | 180.0° |
| C05 | N07 | C08 | H08 | 3.4° | 37.9° |
| C05 | N07 | C08 | C09 | 115.2° | 157.9° |
| C05 | N07 | C08 | C38 | 110.9° | 82.1° |
| HN07 | N07 | C08 | H08 | 176.6° | 142.1° |
| HN07 | N07 | C08 | C09 | 64.8° | 22.1° |
| HN07 | N07 | C08 | C38 | 69.0° | 97.9° |
| N07 | C08 | H08 | C09 | 119.5° | 120.0° |
| N07 | C08 | H08 | C38 | 126.9° | 120.0° |
| N07 | C08 | C09 | C38 | 139.2° | 120.0° |
| N07 | C08 | C09 | S10 | 59.5° | 62.3° |
| N07 | C08 | C09 | H09 | 60.1° | 57.7° |
| N07 | C08 | C09 | H09A | 179.2° | 177.8° |
| N07 | C08 | C38 | N40 | 132.6° | 180.0° |
| N07 | C08 | C38 | O39 | 49.4° | 0.0° |
| H08 | C08 | C09 | C38 | 108.9° | 120.0° |
| H08 | C08 | C09 | S10 | 52.3° | 57.7° |
| H08 | C08 | C09 | H09 | 172.0° | 177.7° |
| H08 | C08 | C09 | H09A | 67.3° | 62.2° |
| H08 | C08 | C38 | N40 | 17.9° | 60.0° |
| H08 | C08 | C38 | O39 | 164.1° | 120.0° |
| C08 | C09 | S10 | H09 | 119.6° | 120.0° |
| C08 | C09 | S10 | H09A | 119.6° | 120.0° |
| C08 | C09 | H09 | H09A | 121.1° | 120.1° |
| C08 | C09 | S10 | AS1 | 131.5° | 77.6° |
| C09 | C08 | C38 | N40 | 91.5° | 60.0° |
| C09 | C08 | C38 | O39 | 86.5° | 120.0° |
| C38 | C08 | C09 | S10 | 161.3° | 177.7° |
| C38 | C08 | C09 | H09 | 79.1° | 62.3° |
| C38 | C08 | C09 | H09A | 41.6° | 57.8° |
| C08 | C38 | N40 | O39 | 177.8° | 180.0° |
| C08 | C38 | N40 | HN40 | 1.3° | 0.1° |
| C08 | C38 | N40 | C41 | 178.7° | 180.0° |
| S10 | C09 | H09 | H09A | 121.1° | 120.0° |
| C09 | S10 | AS1 | S12 | 81.9° | 179.3° |
| C09 | S10 | AS1 | C32 | 168.2° | 59.3° |
| H09 | C09 | S10 | AS1 | 108.8° | 162.4° |
| H09A | C09 | S10 | AS1 | 11.9° | 42.4° |
| S10 | AS1 | S12 | C13 | 58.1° | 180.0° |
| S10 | AS1 | S12 | C32 | 108.0° | 120.0° |
| S10 | AS1 | C32 | C37 | 23.6° | 84.8° |
| S10 | AS1 | C32 | C33 | 156.4° | 95.4° |
| S12 | C13 | H13A | H13 | 118.8° | 120.0° |
| S12 | C13 | H13A | C14 | 122.5° | 120.0° |
| S12 | C13 | H13 | C14 | 122.5° | 120.0° |
| S12 | C13 | C14 | C25 | 166.9° | 180.0° |
| S12 | C13 | C14 | H14 | 52.4° | 60.0° |
| S12 | C13 | C14 | N15 | 64.6° | 60.0° |
| C13 | S12 | AS1 | C32 | 49.9° | 60.0° |
| AS1 | S12 | C13 | H13A | 12.3° | 45.0° |
| AS1 | S12 | C13 | H13 | 131.5° | 165.0° |
| AS1 | S12 | C13 | C14 | 108.1° | 75.0° |
| S12 | AS1 | C32 | C37 | 137.1° | 35.1° |
| S12 | AS1 | C32 | C33 | 42.8° | 144.6° |
| H13A | C13 | H13 | C14 | 118.7° | 120.0° |
| H13A | C13 | C14 | C25 | 46.5° | 60.0° |
| H13A | C13 | C14 | H14 | 68.0° | 179.9° |
| H13A | C13 | C14 | N15 | 174.9° | 60.0° |
| H13 | C13 | C14 | C25 | 72.7° | 60.0° |
| H13 | C13 | C14 | H14 | 172.8° | 60.0° |
| H13 | C13 | C14 | N15 | 55.8° | 179.9° |
| C13 | C14 | C25 | H14 | 114.3° | 120.0° |
| C13 | C14 | C25 | N15 | 130.2° | 120.0° |
| C13 | C14 | H14 | N15 | 122.5° | 119.9° |
| C13 | C14 | N15 | HN15 | 64.2° | 25.1° |
| C13 | C14 | N15 | C16 | 115.8° | 155.0° |
| C13 | C14 | C25 | O26 | 79.6° | 120.0° |
| C13 | C14 | C25 | N27 | 101.0° | 59.9° |
| C25 | C14 | H14 | N15 | 118.9° | 120.0° |
| C25 | C14 | N15 | HN15 | 64.4° | 95.0° |
| C25 | C14 | N15 | C16 | 115.6° | 84.9° |
| C14 | C25 | O26 | N27 | 179.4° | 179.9° |
| C14 | C25 | N27 | C28 | 178.1° | 180.0° |
| C14 | C25 | N27 | HN27 | 1.9° | 0.0° |
| H14 | C14 | N15 | HN15 | 179.4° | 145.0° |
| H14 | C14 | N15 | C16 | 0.6° | 35.1° |
| H14 | C14 | C25 | O26 | 166.1° | 120.1° |
| H14 | C14 | C25 | N27 | 13.3° | 60.0° |
| C14 | N15 | HN15 | C16 | 180.0° | 179.9° |
| C14 | N15 | C16 | O17 | 0.8° | 0.1° |
| C14 | N15 | C16 | C18 | 178.3° | 180.0° |
| N15 | C14 | C25 | O26 | 50.6° | 0.1° |
| N15 | C14 | C25 | N27 | 128.8° | 180.0° |
| HN15 | N15 | C16 | O17 | 179.1° | 180.0° |
| HN15 | N15 | C16 | C18 | 1.8° | 0.1° |
| N15 | C16 | O17 | C18 | 179.1° | 179.9° |
| N15 | C16 | C18 | H18 | 69.0° | 60.0° |
| N15 | C16 | C18 | H18A | 49.1° | 59.9° |
| N15 | C16 | C18 | C19 | 170.0° | 180.0° |
| O17 | C16 | C18 | H18 | 110.1° | 120.0° |
| O17 | C16 | C18 | H18A | 131.7° | 120.0° |
| O17 | C16 | C18 | C19 | 10.8° | 0.0° |
| C16 | C18 | H18 | H18A | 117.1° | 120.0° |
| C16 | C18 | H18 | C19 | 125.7° | 120.0° |
| C16 | C18 | H18A | C19 | 125.7° | 120.1° |
| C16 | C18 | C19 | H19 | 59.8° | 60.0° |
| C16 | C18 | C19 | C20 | 179.7° | 180.0° |
| C16 | C18 | C19 | H19A | 59.2° | 60.0° |
| H18 | C18 | H18A | C19 | 117.2° | 120.0° |
| H18 | C18 | C19 | H19 | 179.2° | 180.0° |
| H18 | C18 | C19 | C20 | 58.8° | 60.0° |
| H18 | C18 | C19 | H19A | 61.7° | 60.0° |
| H18A | C18 | C19 | H19 | 61.1° | 60.1° |
| H18A | C18 | C19 | C20 | 59.4° | 60.0° |
| H18A | C18 | C19 | H19A | 179.9° | 180.0° |
| C18 | C19 | H19 | C20 | 123.0° | 120.1° |
| C18 | C19 | H19 | H19A | 118.5° | 120.0° |
| C18 | C19 | C20 | H19A | 120.5° | 120.0° |
| C18 | C19 | C20 | H20 | 50.2° | 55.0° |
| C18 | C19 | C20 | C22 | 68.7° | 175.0° |
| C18 | C19 | C20 | N21 | 169.4° | 65.0° |
| H19 | C19 | C20 | H19A | 119.0° | 120.0° |
| H19 | C19 | C20 | H20 | 170.7° | 65.1° |
| H19 | C19 | C20 | C22 | 51.8° | 55.0° |
| H19 | C19 | C20 | N21 | 70.1° | 175.0° |
| C19 | C20 | H20 | C22 | 120.8° | 120.0° |
| C19 | C20 | H20 | N21 | 119.8° | 119.9° |
| C19 | C20 | C22 | N21 | 122.0° | 120.0° |
| C19 | C20 | N21 | HN21 | 180.0° | 176.0° |
| C19 | C20 | N21 | HN2A | 60.0° | 60.0° |
| C19 | C20 | C22 | O24 | 84.8° | 100.0° |
| C19 | C20 | C22 | O23 | 95.0° | 80.0° |
| H19A | C19 | C20 | H20 | 70.3° | 175.0° |
| H19A | C19 | C20 | C22 | 170.8° | 65.0° |
| H19A | C19 | C20 | N21 | 48.9° | 55.0° |
| H20 | C20 | C22 | N21 | 119.1° | 120.0° |
| H20 | C20 | N21 | HN21 | 61.3° | 56.1° |
| H20 | C20 | N21 | HN2A | 178.7° | 180.0° |
| H20 | C20 | C22 | O24 | 34.1° | 140.0° |
| H20 | C20 | C22 | O23 | 146.1° | 40.0° |
| C22 | C20 | N21 | HN21 | 57.2° | 64.0° |
| C22 | C20 | N21 | HN2A | 62.8° | 60.0° |
| C20 | C22 | O24 | O23 | 179.8° | 180.0° |
| C20 | C22 | O23 | HO23 | 179.8° | 180.0° |
| C20 | N21 | HN21 | HN2A | 120.0° | 124.0° |
| N21 | C20 | C22 | O24 | 153.2° | 20.0° |
| N21 | C20 | C22 | O23 | 27.0° | 160.0° |
| O24 | C22 | O23 | HO23 | 0.0° | 0.0° |
| O26 | C25 | N27 | C28 | 2.5° | 0.1° |
| O26 | C25 | N27 | HN27 | 177.5° | 180.0° |
| C25 | N27 | C28 | HN27 | 180.0° | 180.0° |
| C25 | N27 | C28 | H28A | 107.5° | 60.0° |
| C25 | N27 | C28 | H28 | 10.1° | 60.0° |
| C25 | N27 | C28 | C29 | 131.3° | 180.0° |
| N27 | C28 | H28A | H28 | 116.2° | 120.0° |
| N27 | C28 | H28A | C29 | 127.5° | 119.9° |
| N27 | C28 | H28 | C29 | 127.5° | 120.0° |
| N27 | C28 | C29 | O30 | 157.2° | 0.0° |
| N27 | C28 | C29 | O31 | 24.2° | 180.0° |
| HN27 | N27 | C28 | H28A | 72.5° | 120.0° |
| HN27 | N27 | C28 | H28 | 169.9° | 120.0° |
| HN27 | N27 | C28 | C29 | 48.7° | 0.0° |
| H28A | C28 | H28 | C29 | 116.2° | 120.0° |
| H28A | C28 | C29 | O30 | 36.0° | 120.0° |
| H28A | C28 | C29 | O31 | 145.4° | 60.0° |
| H28 | C28 | C29 | O30 | 81.6° | 120.0° |
| H28 | C28 | C29 | O31 | 97.0° | 60.0° |
| C28 | C29 | O30 | O31 | 178.5° | 180.0° |
| C28 | C29 | O31 | HO31 | 178.5° | 180.0° |
| O30 | C29 | O31 | HO31 | 0.0° | 0.0° |
| C37 | C32 | C33 | AS1 | 180.0° | 179.8° |
| C37 | C32 | C33 | C34 | 0.3° | 0.3° |
| C37 | C32 | C33 | H33 | 179.7° | 179.7° |
| C32 | C37 | C36 | C35 | 0.4° | 0.4° |
| C32 | C37 | C36 | H36 | 179.6° | 179.7° |
| C32 | C37 | C36 | H37 | 180.0° | 179.6° |
| C32 | C33 | C34 | H33 | 180.0° | 180.0° |
| C32 | C33 | C34 | C35 | 0.3° | 0.1° |
| C32 | C33 | C34 | H34 | 179.7° | 179.9° |
| C33 | C32 | C37 | C36 | 0.0° | 0.5° |
| C33 | C32 | C37 | H37 | 180.0° | 180.0° |
| AS1 | C32 | C33 | C34 | 179.7° | 180.0° |
| AS1 | C32 | C33 | H33 | 0.3° | 0.0° |
| AS1 | C32 | C37 | C36 | 179.9° | 179.8° |
| AS1 | C32 | C37 | H37 | 0.1° | 0.2° |
| C33 | C34 | C35 | H34 | 180.0° | 179.9° |
| C33 | C34 | C35 | H35 | 180.0° | 180.0° |
| C33 | C34 | C35 | C36 | 0.0° | 0.1° |
| H33 | C33 | C34 | C35 | 179.7° | 180.0° |
| H33 | C33 | C34 | H34 | 0.3° | 0.1° |
| C34 | C35 | H35 | C36 | 180.0° | 179.9° |
| C34 | C35 | C36 | H36 | 179.6° | 180.0° |
| C34 | C35 | C36 | C37 | 0.4° | 0.1° |
| H34 | C34 | C35 | H35 | 0.1° | 0.1° |
| H34 | C34 | C35 | C36 | 179.9° | 180.0° |
| H35 | C35 | C36 | H36 | 0.4° | 0.1° |
| H35 | C35 | C36 | C37 | 179.6° | 179.8° |
| C35 | C36 | H36 | C37 | 180.0° | 179.9° |
| C35 | C36 | C37 | H37 | 179.6° | 179.9° |
| H36 | C36 | C37 | H37 | 0.4° | 0.1° |
| C38 | N40 | HN40 | C41 | 180.0° | 179.9° |
| C38 | N40 | C41 | H41A | 20.2° | 60.1° |
| C38 | N40 | C41 | C42 | 140.3° | 180.0° |
| C38 | N40 | C41 | H41 | 99.7° | 60.0° |
| O39 | C38 | N40 | HN40 | 179.1° | 180.0° |
| O39 | C38 | N40 | C41 | 0.9° | 0.0° |
| HN40 | N40 | C41 | H41A | 159.8° | 120.0° |
| HN40 | N40 | C41 | C42 | 39.7° | 0.0° |
| HN40 | N40 | C41 | H41 | 80.3° | 120.0° |
| N40 | C41 | H41A | C42 | 120.5° | 120.0° |
| N40 | C41 | H41A | H41 | 119.8° | 120.0° |
| N40 | C41 | C42 | H41 | 120.1° | 120.0° |
| N40 | C41 | C42 | O44 | 22.2° | 0.0° |
| N40 | C41 | C42 | O43 | 156.2° | 180.0° |
| H41A | C41 | C42 | H41 | 119.8° | 120.0° |
| H41A | C41 | C42 | O44 | 97.9° | 119.9° |
| H41A | C41 | C42 | O43 | 83.7° | 60.0° |
| C41 | C42 | O44 | O43 | 178.3° | 179.9° |
| C41 | C42 | O43 | HO43 | 178.4° | 180.0° |
| H41 | C41 | C42 | O44 | 142.3° | 120.0° |
| H41 | C41 | C42 | O43 | 36.1° | 60.0° |
| O44 | C42 | O43 | HO43 | 0.0° | 0.0° |
| O47 | C45 | O46 | HO46 | 0.0° | 0.1° |
