A1LU4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O27 | C25 | doub | 1.21Å | 1.26Å | |
| C25 | C24 | sing | 1.51Å | 1.52Å | |
| C25 | O26 | sing | 1.34Å | 1.26Å | |
| C24 | C23 | sing | 1.53Å | 1.52Å | |
| N22 | C23 | sing | 1.45Å | 1.45Å | |
| N22 | C20 | sing | 1.33Å | 1.46Å | |
| C23 | C28 | sing | 1.51Å | 1.53Å | |
| N30 | C28 | sing | 1.36Å | 1.46Å | |
| N30 | C31 | sing | 1.48Å | 1.45Å | |
| C19 | C20 | sing | 1.51Å | 1.53Å | |
| C19 | N18 | sing | 1.49Å | 1.46Å | |
| O40 | C39 | doub | 1.22Å | 1.19Å | |
| C20 | O21 | doub | 1.22Å | 1.18Å | |
| C28 | O29 | doub | 1.21Å | 1.18Å | |
| N18 | C16 | sing | 1.37Å | 1.46Å | |
| C32 | C31 | sing | 1.53Å | 1.52Å | |
| C32 | C33 | sing | 1.51Å | 1.54Å | |
| C31 | C39 | sing | 1.50Å | 1.54Å | |
| C39 | N41 | sing | 1.37Å | 1.48Å | |
| C38 | C33 | doub | 1.38Å | 1.44Å | Aromatic |
| C38 | C37 | sing | 1.38Å | 1.45Å | Aromatic |
| C33 | C34 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C08 | sing | 1.50Å | 1.54Å | |
| C16 | O17 | doub | 1.22Å | 1.18Å | |
| C08 | N07 | sing | 1.47Å | 1.47Å | |
| C08 | C09 | sing | 1.53Å | 1.56Å | |
| N07 | C05 | sing | 1.36Å | 1.47Å | |
| C37 | C36 | doub | 1.38Å | 1.44Å | Aromatic |
| C05 | C04 | sing | 1.51Å | 1.54Å | |
| C05 | O06 | doub | 1.21Å | 1.18Å | |
| N41 | C04 | sing | 1.49Å | 1.46Å | |
| N41 | C42 | sing | 1.46Å | 1.45Å | |
| C04 | C02 | sing | 1.53Å | 1.53Å | |
| C34 | C35 | doub | 1.38Å | 1.38Å | Aromatic |
| C09 | C10 | sing | 1.53Å | 1.55Å | |
| C01 | C02 | sing | 1.53Å | 1.53Å | |
| C36 | C35 | sing | 1.38Å | 1.44Å | Aromatic |
| C11 | C10 | sing | 1.53Å | 1.56Å | |
| C11 | N12 | sing | 1.46Å | 1.47Å | |
| C02 | C03 | sing | 1.53Å | 1.52Å | |
| N14 | C13 | doub | 1.30Å | 1.46Å | |
| N12 | C13 | sing | 1.37Å | 1.27Å | |
| C13 | N15 | sing | 1.38Å | 1.46Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| N12 | H3 | sing | 0.97Å | 1.00Å | |
| C24 | H4 | sing | 1.09Å | 1.10Å | |
| C24 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C02 | H9 | sing | 1.09Å | 1.10Å | |
| C03 | H10 | sing | 1.09Å | 1.10Å | |
| C03 | H11 | sing | 1.09Å | 1.10Å | |
| C03 | H12 | sing | 1.09Å | 1.10Å | |
| C04 | H13 | sing | 1.09Å | 1.10Å | |
| N07 | H14 | sing | 0.98Å | 1.00Å | |
| C08 | H15 | sing | 1.10Å | 1.10Å | |
| C09 | H16 | sing | 1.09Å | 1.10Å | |
| C09 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| N14 | H20 | sing | 0.97Å | 1.00Å | |
| N15 | H22 | sing | 0.97Å | 1.00Å | |
| N15 | H23 | sing | 0.97Å | 1.00Å | |
| N18 | H24 | sing | 0.97Å | 1.00Å | |
| C19 | H25 | sing | 1.10Å | 1.10Å | |
| C19 | H26 | sing | 1.08Å | 1.10Å | |
| N22 | H27 | sing | 0.99Å | 1.00Å | |
| C23 | H28 | sing | 1.10Å | 1.10Å | |
| O26 | H29 | sing | 0.97Å | 0.95Å | |
| N30 | H30 | sing | 0.97Å | 1.00Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H33 | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C38 | H38 | sing | 1.08Å | 1.08Å | |
| C42 | H39 | sing | 1.09Å | 1.10Å | |
| C42 | H40 | sing | 1.09Å | 1.10Å | |
| C42 | H41 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O27 | C25 | C24 | 119.6° | 120.0° |
| O27 | C25 | O26 | 120.2° | 119.9° |
| C24 | C25 | O26 | 120.3° | 120.0° |
| C25 | C24 | C23 | 112.2° | 109.5° |
| C25 | C24 | H4 | 108.8° | 109.4° |
| C25 | C24 | H5 | 108.8° | 109.5° |
| C25 | O26 | H29 | 109.5° | 117.0° |
| C24 | C23 | N22 | 110.3° | 111.4° |
| C24 | C23 | C28 | 108.5° | 110.1° |
| C23 | C24 | H4 | 108.8° | 109.5° |
| C23 | C24 | H5 | 108.8° | 109.5° |
| C24 | C23 | H28 | 109.3° | 107.8° |
| C23 | N22 | C20 | 119.6° | 126.6° |
| N22 | C23 | C28 | 109.1° | 111.3° |
| C23 | N22 | H27 | 120.2° | 117.0° |
| N22 | C23 | H28 | 110.3° | 108.4° |
| N22 | C20 | C19 | 120.9° | 122.4° |
| N22 | C20 | O21 | 119.7° | 119.9° |
| C20 | N22 | H27 | 120.2° | 116.4° |
| C23 | C28 | N30 | 119.9° | 118.7° |
| C23 | C28 | O29 | 120.0° | 120.8° |
| C28 | C23 | H28 | 109.2° | 107.6° |
| C28 | N30 | C31 | 119.7° | 116.4° |
| N30 | C28 | O29 | 120.1° | 120.5° |
| C28 | N30 | H30 | 120.2° | 122.0° |
| N30 | C31 | C32 | 111.6° | 108.9° |
| N30 | C31 | C39 | 109.0° | 108.4° |
| C31 | N30 | H30 | 120.2° | 121.6° |
| N30 | C31 | H31 | 110.4° | 108.8° |
| C20 | C19 | N18 | 109.8° | 108.8° |
| C19 | C20 | O21 | 119.4° | 117.6° |
| C20 | C19 | H25 | 109.4° | 108.9° |
| C20 | C19 | H26 | 109.4° | 111.3° |
| C19 | N18 | C16 | 120.4° | 113.6° |
| C19 | N18 | H24 | 119.8° | 121.8° |
| N18 | C19 | H25 | 109.4° | 108.8° |
| N18 | C19 | H26 | 109.4° | 110.0° |
| O40 | C39 | C31 | 118.0° | 119.8° |
| O40 | C39 | N41 | 119.8° | 119.6° |
| N18 | C16 | C08 | 119.3° | 120.8° |
| N18 | C16 | O17 | 120.4° | 119.6° |
| C16 | N18 | H24 | 119.8° | 124.6° |
| C31 | C32 | C33 | 109.1° | 109.5° |
| C32 | C31 | C39 | 107.2° | 109.9° |
| C32 | C31 | H31 | 109.4° | 109.9° |
| C31 | C32 | H32 | 109.6° | 109.5° |
| C31 | C32 | H33 | 109.6° | 109.5° |
| C32 | C33 | C38 | 123.8° | 120.0° |
| C32 | C33 | C34 | 123.0° | 120.0° |
| C33 | C32 | H32 | 109.6° | 109.5° |
| C33 | C32 | H33 | 109.6° | 109.5° |
| C31 | C39 | N41 | 122.2° | 120.6° |
| C39 | C31 | H31 | 109.2° | 111.0° |
| C39 | N41 | C04 | 118.7° | 113.5° |
| C39 | N41 | C42 | 120.5° | 124.5° |
| C33 | C38 | C37 | 122.4° | 120.0° |
| C38 | C33 | C34 | 113.3° | 120.0° |
| C33 | C38 | H38 | 118.8° | 120.0° |
| C38 | C37 | C36 | 117.2° | 120.0° |
| C38 | C37 | H37 | 121.4° | 120.0° |
| C37 | C38 | H38 | 118.8° | 120.0° |
| C33 | C34 | C35 | 131.4° | 120.0° |
| C33 | C34 | H34 | 114.3° | 120.0° |
| C08 | C16 | O17 | 120.4° | 119.6° |
| C16 | C08 | N07 | 102.7° | 110.1° |
| C16 | C08 | C09 | 120.1° | 111.3° |
| C16 | C08 | H15 | 105.8° | 108.2° |
| N07 | C08 | C09 | 115.1° | 111.1° |
| C08 | N07 | C05 | 121.3° | 118.5° |
| C08 | N07 | H14 | 119.4° | 120.7° |
| N07 | C08 | H15 | 106.6° | 108.1° |
| C08 | C09 | C10 | 116.0° | 109.5° |
| C09 | C08 | H15 | 105.6° | 107.9° |
| C08 | C09 | H16 | 107.8° | 109.5° |
| C08 | C09 | H17 | 107.8° | 109.5° |
| N07 | C05 | C04 | 118.4° | 118.6° |
| N07 | C05 | O06 | 120.5° | 122.1° |
| C05 | N07 | H14 | 119.4° | 120.8° |
| C37 | C36 | C35 | 122.6° | 120.1° |
| C37 | C36 | H36 | 118.7° | 120.0° |
| C36 | C37 | H37 | 121.3° | 120.0° |
| C04 | C05 | O06 | 121.1° | 119.3° |
| C05 | C04 | N41 | 107.0° | 107.5° |
| C05 | C04 | C02 | 113.1° | 109.8° |
| C05 | C04 | H13 | 108.1° | 109.9° |
| C04 | N41 | C42 | 120.7° | 122.0° |
| N41 | C04 | C02 | 111.3° | 109.6° |
| N41 | C04 | H13 | 109.1° | 109.7° |
| N41 | C42 | H39 | 109.5° | 109.5° |
| N41 | C42 | H40 | 109.5° | 109.5° |
| N41 | C42 | H41 | 109.5° | 109.5° |
| C04 | C02 | C01 | 109.6° | 109.5° |
| C04 | C02 | C03 | 114.7° | 109.5° |
| C04 | C02 | H9 | 107.4° | 109.5° |
| C02 | C04 | H13 | 108.2° | 110.3° |
| C34 | C35 | C36 | 113.1° | 120.0° |
| C35 | C34 | H34 | 114.3° | 120.0° |
| C34 | C35 | H35 | 123.4° | 120.0° |
| C09 | C10 | C11 | 113.7° | 109.5° |
| C09 | C10 | H1 | 108.4° | 109.5° |
| C09 | C10 | H2 | 108.4° | 109.5° |
| C10 | C09 | H16 | 107.8° | 109.4° |
| C10 | C09 | H17 | 107.8° | 109.5° |
| C01 | C02 | C03 | 109.8° | 109.5° |
| C02 | C01 | H6 | 109.5° | 109.5° |
| C02 | C01 | H7 | 109.4° | 109.5° |
| C02 | C01 | H8 | 109.5° | 109.5° |
| C01 | C02 | H9 | 107.4° | 109.5° |
| C36 | C35 | H35 | 123.4° | 120.1° |
| C35 | C36 | H36 | 118.7° | 120.0° |
| C10 | C11 | N12 | 109.4° | 109.5° |
| C11 | C10 | H1 | 108.4° | 109.5° |
| C11 | C10 | H2 | 108.4° | 109.5° |
| C10 | C11 | H18 | 109.5° | 109.5° |
| C10 | C11 | H19 | 109.5° | 109.5° |
| C11 | N12 | C13 | 121.7° | 120.0° |
| C11 | N12 | H3 | 119.2° | 120.0° |
| N12 | C11 | H18 | 109.5° | 109.5° |
| N12 | C11 | H19 | 109.5° | 109.5° |
| C03 | C02 | H9 | 107.5° | 109.5° |
| C02 | C03 | H10 | 109.5° | 109.4° |
| C02 | C03 | H11 | 109.5° | 109.5° |
| C02 | C03 | H12 | 109.5° | 109.5° |
| N14 | C13 | N12 | 121.8° | 120.0° |
| N14 | C13 | N15 | 119.1° | 120.0° |
| C13 | N14 | H20 | 112.0° | 120.0° |
| N12 | C13 | N15 | 119.1° | 120.0° |
| C13 | N12 | H3 | 119.2° | 120.0° |
| C13 | N15 | H22 | 120.0° | 120.0° |
| C13 | N15 | H23 | 120.0° | 120.0° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H4 | C24 | H5 | 109.5° | 109.5° |
| H6 | C01 | H7 | 109.5° | 109.5° |
| H6 | C01 | H8 | 109.4° | 109.5° |
| H7 | C01 | H8 | 109.5° | 109.5° |
| H10 | C03 | H11 | 109.5° | 109.4° |
| H10 | C03 | H12 | 109.5° | 109.5° |
| H11 | C03 | H12 | 109.5° | 109.5° |
| H16 | C09 | H17 | 109.5° | 109.5° |
| H18 | C11 | H19 | 109.5° | 109.4° |
| H22 | N15 | H23 | 120.0° | 120.0° |
| H25 | C19 | H26 | 109.4° | 109.0° |
| H32 | C32 | H33 | 109.5° | 109.4° |
| H39 | C42 | H40 | 109.5° | 109.5° |
| H39 | C42 | H41 | 109.4° | 109.5° |
| H40 | C42 | H41 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O27 | C25 | C24 | O26 | 179.5° | 180.0° |
| O27 | C25 | C24 | C23 | 137.9° | 0.0° |
| O27 | C25 | C24 | H4 | 17.5° | 120.0° |
| O27 | C25 | C24 | H5 | 101.7° | 120.0° |
| O27 | C25 | O26 | H29 | 0.0° | 0.0° |
| C25 | C24 | C23 | H4 | 120.4° | 119.9° |
| C25 | C24 | C23 | H5 | 120.4° | 120.0° |
| C25 | C24 | C23 | N22 | 113.0° | 65.0° |
| C25 | C24 | C23 | C28 | 127.5° | 171.0° |
| C25 | C24 | H4 | H5 | 118.8° | 120.0° |
| C25 | C24 | C23 | H28 | 8.4° | 53.9° |
| C24 | C25 | O26 | H29 | 179.5° | 180.0° |
| O26 | C25 | C24 | C23 | 42.6° | 180.0° |
| O26 | C25 | C24 | H4 | 163.0° | 60.0° |
| O26 | C25 | C24 | H5 | 77.8° | 60.0° |
| C24 | C23 | N22 | C28 | 119.1° | 123.3° |
| C24 | C23 | N22 | H28 | 120.9° | 118.5° |
| C24 | C23 | N22 | C20 | 162.4° | 80.9° |
| C24 | C23 | C28 | H28 | 119.1° | 117.3° |
| C24 | C23 | C28 | N30 | 64.9° | 68.9° |
| C24 | C23 | C28 | O29 | 115.0° | 111.9° |
| C23 | C24 | H4 | H5 | 118.7° | 120.0° |
| C24 | C23 | N22 | H27 | 17.6° | 99.2° |
| C23 | N22 | C20 | H27 | 180.0° | 179.9° |
| N22 | C23 | C28 | H28 | 120.6° | 118.7° |
| N22 | C23 | C28 | N30 | 55.4° | 167.1° |
| C23 | N22 | C20 | C19 | 179.9° | 57.2° |
| C23 | N22 | C20 | O21 | 0.2° | 126.1° |
| N22 | C23 | C28 | O29 | 124.7° | 12.1° |
| N22 | C23 | C24 | H4 | 7.4° | 175.1° |
| N22 | C23 | C24 | H5 | 126.6° | 55.0° |
| C20 | N22 | C23 | C28 | 78.5° | 42.4° |
| N22 | C20 | C19 | O21 | 179.8° | 176.8° |
| N22 | C20 | C19 | N18 | 71.1° | 126.5° |
| N22 | C20 | C19 | H25 | 168.8° | 115.1° |
| N22 | C20 | C19 | H26 | 48.9° | 5.1° |
| C20 | N22 | C23 | H28 | 41.5° | 160.6° |
| C23 | C28 | N30 | O29 | 179.9° | 179.3° |
| C23 | C28 | N30 | C31 | 179.5° | 177.7° |
| C28 | C23 | C24 | H4 | 112.1° | 51.1° |
| C28 | C23 | C24 | H5 | 7.1° | 69.0° |
| C28 | C23 | N22 | H27 | 101.6° | 137.5° |
| C23 | C28 | N30 | H30 | 0.5° | 2.2° |
| C28 | N30 | C31 | H30 | 180.0° | 179.9° |
| C28 | N30 | C31 | C32 | 97.7° | 177.9° |
| C28 | N30 | C31 | C39 | 144.1° | 62.6° |
| N30 | C28 | C23 | H28 | 176.0° | 48.4° |
| C28 | N30 | C31 | H31 | 24.2° | 58.1° |
| N30 | C31 | C39 | O40 | 67.2° | 32.6° |
| C31 | N30 | C28 | O29 | 0.6° | 1.5° |
| N30 | C31 | C32 | C39 | 119.2° | 118.6° |
| N30 | C31 | C32 | H31 | 122.5° | 119.1° |
| N30 | C31 | C32 | C33 | 177.0° | 65.0° |
| N30 | C31 | C39 | H31 | 120.7° | 119.4° |
| N30 | C31 | C39 | N41 | 113.4° | 147.7° |
| N30 | C31 | C32 | H32 | 57.0° | 175.0° |
| N30 | C31 | C32 | H33 | 63.1° | 55.0° |
| C20 | C19 | N18 | H25 | 120.1° | 118.6° |
| C20 | C19 | N18 | H26 | 120.1° | 122.1° |
| C20 | C19 | N18 | C16 | 84.5° | 160.2° |
| C20 | C19 | N18 | H24 | 95.4° | 20.3° |
| C20 | C19 | H25 | H26 | 119.9° | 121.6° |
| C19 | C20 | N22 | H27 | 0.1° | 122.9° |
| N18 | C19 | C20 | O21 | 109.1° | 56.7° |
| C19 | N18 | C16 | H24 | 180.0° | 179.4° |
| C19 | N18 | C16 | C08 | 179.9° | 173.4° |
| C19 | N18 | C16 | O17 | 0.6° | 6.3° |
| N18 | C19 | H25 | H26 | 119.8° | 119.9° |
| O40 | C39 | C31 | C32 | 53.7° | 86.3° |
| O40 | C39 | C31 | N41 | 179.4° | 179.7° |
| O40 | C39 | N41 | C04 | 1.0° | 9.3° |
| O40 | C39 | N41 | C42 | 179.6° | 170.3° |
| O40 | C39 | C31 | H31 | 172.1° | 152.0° |
| O21 | C20 | C19 | H25 | 11.0° | 61.7° |
| O21 | C20 | C19 | H26 | 130.9° | 178.1° |
| O21 | C20 | N22 | H27 | 179.7° | 53.9° |
| O29 | C28 | C23 | H28 | 4.1° | 130.9° |
| O29 | C28 | N30 | H30 | 179.4° | 178.5° |
| N18 | C16 | C08 | O17 | 179.3° | 179.7° |
| N18 | C16 | C08 | N07 | 91.8° | 88.9° |
| N18 | C16 | C08 | C09 | 138.8° | 34.7° |
| N18 | C16 | C08 | H15 | 19.7° | 153.1° |
| C16 | N18 | C19 | H25 | 35.5° | 81.2° |
| C16 | N18 | C19 | H26 | 155.4° | 38.1° |
| C31 | C32 | C33 | H32 | 119.9° | 120.0° |
| C31 | C32 | C33 | H33 | 120.0° | 120.0° |
| C32 | C31 | C39 | H31 | 118.4° | 121.7° |
| C32 | C31 | C39 | N41 | 125.7° | 93.4° |
| C31 | C32 | C33 | C38 | 103.5° | 90.3° |
| C31 | C32 | C33 | C34 | 75.6° | 90.0° |
| C32 | C31 | N30 | H30 | 82.3° | 2.1° |
| C31 | C32 | H32 | H33 | 120.2° | 120.0° |
| C33 | C32 | C31 | C39 | 57.8° | 176.5° |
| C32 | C33 | C38 | C34 | 179.2° | 179.7° |
| C32 | C33 | C38 | C37 | 179.7° | 179.7° |
| C32 | C33 | C34 | C35 | 179.6° | 180.0° |
| C33 | C32 | C31 | H31 | 60.5° | 54.1° |
| C33 | C32 | H32 | H33 | 120.2° | 120.0° |
| C32 | C33 | C34 | H34 | 0.3° | 0.1° |
| C32 | C33 | C38 | H38 | 0.4° | 0.1° |
| C31 | C39 | N41 | C04 | 179.7° | 171.1° |
| C31 | C39 | N41 | C42 | 1.0° | 9.4° |
| C39 | C31 | N30 | H30 | 35.9° | 117.4° |
| C39 | C31 | C32 | H32 | 62.2° | 56.4° |
| C39 | C31 | C32 | H33 | 177.7° | 63.5° |
| C39 | N41 | C04 | C05 | 102.7° | 65.7° |
| C39 | N41 | C04 | C42 | 178.7° | 179.6° |
| C39 | N41 | C04 | C02 | 133.3° | 175.0° |
| C39 | N41 | C04 | H13 | 14.0° | 53.8° |
| N41 | C39 | C31 | H31 | 7.3° | 28.3° |
| C39 | N41 | C42 | H39 | 180.0° | 6.0° |
| C39 | N41 | C42 | H40 | 60.0° | 126.0° |
| C39 | N41 | C42 | H41 | 60.0° | 114.0° |
| C33 | C38 | C37 | H38 | 180.0° | 179.8° |
| C33 | C38 | C37 | C36 | 0.3° | 0.6° |
| C38 | C33 | C34 | C35 | 0.4° | 0.3° |
| C38 | C33 | C32 | H32 | 16.4° | 149.7° |
| C38 | C33 | C32 | H33 | 136.5° | 29.8° |
| C38 | C33 | C34 | H34 | 179.6° | 179.8° |
| C33 | C38 | C37 | H37 | 179.7° | 179.7° |
| C37 | C38 | C33 | C34 | 0.4° | 0.6° |
| C38 | C37 | C36 | H37 | 180.0° | 179.7° |
| C38 | C37 | C36 | C35 | 0.0° | 0.3° |
| C38 | C37 | C36 | H36 | 180.0° | 179.8° |
| C33 | C34 | C35 | H34 | 180.0° | 179.9° |
| C33 | C34 | C35 | C36 | 0.2° | 0.0° |
| C34 | C33 | C32 | H32 | 164.4° | 30.0° |
| C34 | C33 | C32 | H33 | 44.3° | 150.0° |
| C33 | C34 | C35 | H35 | 179.8° | 180.0° |
| C34 | C33 | C38 | H38 | 179.6° | 179.7° |
| C16 | C08 | N07 | C09 | 132.3° | 123.8° |
| C16 | C08 | N07 | H15 | 111.0° | 118.0° |
| C16 | C08 | C09 | H15 | 119.2° | 118.6° |
| C16 | C08 | N07 | C05 | 175.4° | 60.9° |
| C16 | C08 | C09 | C10 | 16.6° | 169.3° |
| C16 | C08 | N07 | H14 | 4.6° | 119.3° |
| C16 | C08 | C09 | H16 | 137.5° | 49.3° |
| C16 | C08 | C09 | H17 | 104.4° | 70.7° |
| C08 | C16 | N18 | H24 | 0.1° | 6.0° |
| O17 | C16 | C08 | N07 | 87.5° | 91.4° |
| O17 | C16 | C08 | C09 | 41.8° | 145.0° |
| O17 | C16 | C08 | H15 | 160.9° | 26.6° |
| O17 | C16 | N18 | H24 | 179.4° | 174.2° |
| N07 | C08 | C09 | H15 | 117.2° | 118.3° |
| C08 | N07 | C05 | H14 | 180.0° | 179.8° |
| C08 | N07 | C05 | C04 | 179.8° | 177.5° |
| C08 | N07 | C05 | O06 | 0.9° | 2.9° |
| N07 | C08 | C09 | C10 | 140.1° | 67.6° |
| N07 | C08 | C09 | H16 | 98.9° | 172.4° |
| N07 | C08 | C09 | H17 | 19.2° | 52.4° |
| C09 | C08 | N07 | C05 | 43.0° | 62.9° |
| C08 | C09 | C10 | H16 | 121.0° | 120.0° |
| C08 | C09 | C10 | H17 | 120.9° | 120.0° |
| C08 | C09 | C10 | C11 | 129.9° | 174.8° |
| C08 | C09 | C10 | H1 | 109.5° | 65.2° |
| C08 | C09 | C10 | H2 | 9.2° | 54.8° |
| C09 | C08 | N07 | H14 | 136.9° | 116.9° |
| C08 | C09 | H16 | H17 | 117.0° | 120.0° |
| N07 | C05 | C04 | O06 | 178.9° | 179.6° |
| N07 | C05 | C04 | N41 | 8.3° | 155.4° |
| N07 | C05 | C04 | C02 | 131.2° | 85.4° |
| N07 | C05 | C04 | H13 | 109.0° | 36.0° |
| C05 | N07 | C08 | H15 | 73.6° | 178.9° |
| C37 | C36 | C35 | C34 | 0.0° | 0.0° |
| C37 | C36 | C35 | H36 | 180.0° | 179.9° |
| C37 | C36 | C35 | H35 | 180.0° | 180.0° |
| C36 | C37 | C38 | H38 | 179.7° | 179.7° |
| C05 | C04 | N41 | C02 | 123.9° | 119.3° |
| C05 | C04 | N41 | H13 | 116.7° | 119.5° |
| C05 | C04 | N41 | C42 | 75.9° | 114.7° |
| C05 | C04 | C02 | H13 | 119.7° | 121.3° |
| C05 | C04 | C02 | C01 | 109.8° | 51.2° |
| C05 | C04 | C02 | C03 | 14.3° | 171.2° |
| C05 | C04 | C02 | H9 | 133.8° | 68.8° |
| C04 | C05 | N07 | H14 | 0.2° | 2.3° |
| O06 | C05 | C04 | N41 | 172.8° | 24.3° |
| O06 | C05 | C04 | C02 | 50.0° | 94.9° |
| O06 | C05 | C04 | H13 | 69.8° | 143.6° |
| O06 | C05 | N07 | H14 | 179.1° | 177.3° |
| N41 | C04 | C02 | H13 | 119.8° | 120.8° |
| N41 | C04 | C02 | C01 | 129.8° | 169.1° |
| N41 | C04 | C02 | C03 | 106.1° | 70.9° |
| N41 | C04 | C02 | H9 | 13.3° | 49.1° |
| C04 | N41 | C42 | H39 | 1.3° | 174.4° |
| C04 | N41 | C42 | H40 | 121.4° | 54.4° |
| C04 | N41 | C42 | H41 | 118.6° | 65.6° |
| C42 | N41 | C04 | C02 | 48.0° | 4.6° |
| C42 | N41 | C04 | H13 | 167.3° | 125.8° |
| N41 | C42 | H39 | H40 | 120.0° | 120.0° |
| N41 | C42 | H39 | H41 | 120.0° | 120.0° |
| N41 | C42 | H40 | H41 | 120.0° | 120.0° |
| C04 | C02 | C01 | C03 | 126.9° | 120.0° |
| C04 | C02 | C01 | H9 | 116.4° | 120.0° |
| C04 | C02 | C03 | H9 | 119.4° | 120.0° |
| C04 | C02 | C01 | H6 | 180.0° | 174.2° |
| C04 | C02 | C01 | H7 | 60.0° | 54.2° |
| C04 | C02 | C01 | H8 | 60.0° | 65.8° |
| C04 | C02 | C03 | H10 | 180.0° | 65.2° |
| C04 | C02 | C03 | H11 | 60.0° | 174.8° |
| C04 | C02 | C03 | H12 | 60.0° | 54.8° |
| C34 | C35 | C36 | H35 | 180.0° | 180.0° |
| C34 | C35 | C36 | H36 | 180.0° | 180.0° |
| C09 | C10 | C11 | H1 | 120.6° | 120.0° |
| C09 | C10 | C11 | H2 | 120.6° | 120.0° |
| C09 | C10 | C11 | N12 | 122.2° | 180.0° |
| C09 | C10 | H1 | H2 | 118.0° | 120.0° |
| C10 | C09 | C08 | H15 | 102.7° | 50.7° |
| C10 | C09 | H16 | H17 | 117.0° | 120.0° |
| C09 | C10 | C11 | H18 | 117.8° | 60.0° |
| C09 | C10 | C11 | H19 | 2.2° | 60.0° |
| C01 | C02 | C03 | H9 | 116.6° | 120.0° |
| C02 | C01 | H6 | H7 | 120.0° | 120.0° |
| C02 | C01 | H6 | H8 | 120.0° | 120.0° |
| C02 | C01 | H7 | H8 | 120.0° | 120.0° |
| C01 | C02 | C03 | H10 | 56.0° | 174.8° |
| C01 | C02 | C03 | H11 | 176.0° | 54.8° |
| C01 | C02 | C03 | H12 | 64.0° | 65.2° |
| C01 | C02 | C04 | H13 | 9.9° | 70.0° |
| C36 | C35 | C34 | H34 | 179.8° | 180.0° |
| C35 | C36 | C37 | H37 | 180.0° | 180.0° |
| C10 | C11 | N12 | H18 | 120.0° | 120.0° |
| C10 | C11 | N12 | H19 | 120.0° | 120.0° |
| C10 | C11 | N12 | C13 | 156.9° | 180.0° |
| C11 | C10 | H1 | H2 | 118.1° | 120.0° |
| C10 | C11 | N12 | H3 | 23.2° | 0.0° |
| C11 | C10 | C09 | H16 | 8.9° | 65.2° |
| C11 | C10 | C09 | H17 | 109.2° | 54.8° |
| C10 | C11 | H18 | H19 | 120.0° | 120.0° |
| C11 | N12 | C13 | N14 | 0.0° | 180.0° |
| C11 | N12 | C13 | H3 | 180.0° | 179.9° |
| C11 | N12 | C13 | N15 | 180.0° | 0.1° |
| N12 | C11 | C10 | H1 | 1.5° | 60.0° |
| N12 | C11 | C10 | H2 | 117.2° | 60.0° |
| N12 | C11 | H18 | H19 | 120.0° | 120.0° |
| C03 | C02 | C01 | H6 | 53.1° | 65.8° |
| C03 | C02 | C01 | H7 | 66.9° | 174.3° |
| C03 | C02 | C01 | H8 | 173.1° | 54.2° |
| C02 | C03 | H10 | H11 | 120.0° | 120.0° |
| C02 | C03 | H10 | H12 | 120.0° | 120.0° |
| C02 | C03 | H11 | H12 | 120.0° | 120.1° |
| C03 | C02 | C04 | H13 | 134.0° | 50.0° |
| N14 | C13 | N12 | N15 | 180.0° | 179.9° |
| N14 | C13 | N12 | H3 | 180.0° | 0.1° |
| N14 | C13 | N15 | H22 | 180.0° | 180.0° |
| N14 | C13 | N15 | H23 | 0.0° | 0.0° |
| C13 | N12 | C11 | H18 | 36.8° | 60.0° |
| C13 | N12 | C11 | H19 | 83.2° | 60.0° |
| N12 | C13 | N14 | H20 | 180.0° | 180.0° |
| N12 | C13 | N15 | H22 | 0.0° | 0.1° |
| N12 | C13 | N15 | H23 | 180.0° | 180.0° |
| N15 | C13 | N12 | H3 | 0.0° | 180.0° |
| N15 | C13 | N14 | H20 | 0.0° | 0.0° |
| C13 | N15 | H22 | H23 | 180.0° | 179.9° |
| H1 | C10 | C09 | H16 | 129.6° | 54.8° |
| H1 | C10 | C09 | H17 | 11.5° | 174.8° |
| H1 | C10 | C11 | H18 | 121.5° | 180.0° |
| H1 | C10 | C11 | H19 | 118.5° | 60.0° |
| H2 | C10 | C09 | H16 | 111.7° | 174.8° |
| H2 | C10 | C09 | H17 | 130.2° | 65.2° |
| H2 | C10 | C11 | H18 | 2.8° | 60.0° |
| H2 | C10 | C11 | H19 | 122.8° | 180.0° |
| H3 | N12 | C11 | H18 | 143.2° | 120.0° |
| H3 | N12 | C11 | H19 | 96.8° | 120.0° |
| H4 | C24 | C23 | H28 | 128.9° | 66.1° |
| H5 | C24 | C23 | H28 | 112.0° | 173.9° |
| H6 | C01 | H7 | H8 | 120.0° | 120.0° |
| H6 | C01 | C02 | H9 | 63.6° | 54.2° |
| H7 | C01 | C02 | H9 | 176.4° | 65.8° |
| H8 | C01 | C02 | H9 | 56.5° | 174.2° |
| H9 | C02 | C03 | H10 | 60.6° | 54.8° |
| H9 | C02 | C03 | H11 | 59.5° | 65.2° |
| H9 | C02 | C03 | H12 | 179.4° | 174.8° |
| H9 | C02 | C04 | H13 | 106.5° | 170.0° |
| H10 | C03 | H11 | H12 | 120.0° | 120.0° |
| H14 | N07 | C08 | H15 | 106.4° | 1.3° |
| H15 | C08 | C09 | H16 | 18.3° | 69.3° |
| H15 | C08 | C09 | H17 | 136.4° | 170.7° |
| H24 | N18 | C19 | H25 | 144.5° | 98.2° |
| H24 | N18 | C19 | H26 | 24.6° | 142.4° |
| H27 | N22 | C23 | H28 | 138.5° | 19.3° |
| H30 | N30 | C31 | H31 | 155.8° | 121.8° |
| H31 | C31 | C32 | H32 | 179.6° | 65.9° |
| H31 | C31 | C32 | H33 | 59.5° | 174.1° |
| H34 | C34 | C35 | H35 | 0.2° | 0.1° |
| H35 | C35 | C36 | H36 | 0.0° | 0.1° |
| H36 | C36 | C37 | H37 | 0.0° | 0.1° |
| H37 | C37 | C38 | H38 | 0.3° | 0.0° |
| H39 | C42 | H40 | H41 | 120.0° | 120.0° |
