LMY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N45 | C44 | trip | 1.14Å | 1.11Å | |
| C44 | C32 | sing | 1.43Å | 1.48Å | |
| C34 | N33 | sing | 1.46Å | 1.46Å | |
| C34 | C35 | sing | 1.53Å | 1.49Å | |
| C32 | N33 | sing | 1.38Å | 1.36Å | Aromatic |
| C32 | C31 | doub | 1.36Å | 1.40Å | Aromatic |
| N33 | C28 | sing | 1.38Å | 1.36Å | Aromatic |
| C10 | C08 | sing | 1.51Å | 1.51Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C31 | C27 | sing | 1.42Å | 1.37Å | Aromatic |
| C08 | S09 | sing | 1.75Å | 1.66Å | Aromatic |
| C08 | C07 | doub | 1.32Å | 1.43Å | Aromatic |
| C38 | C35 | sing | 1.55Å | 1.56Å | |
| C38 | C37 | sing | 1.55Å | 1.52Å | |
| S09 | C05 | sing | 1.76Å | 1.62Å | Aromatic |
| C35 | C39 | sing | 1.54Å | 1.55Å | |
| C35 | C36 | sing | 1.55Å | 1.53Å | |
| C07 | C04 | sing | 1.45Å | 1.53Å | Aromatic |
| C28 | C27 | doub | 1.41Å | 1.38Å | Aromatic |
| C28 | C29 | sing | 1.39Å | 1.52Å | Aromatic |
| C27 | C26 | sing | 1.40Å | 1.51Å | Aromatic |
| C05 | C04 | doub | 1.40Å | 1.40Å | Aromatic |
| C05 | N06 | sing | 1.34Å | 1.42Å | Aromatic |
| C39 | C37 | sing | 1.57Å | 1.60Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C19 | C18 | sing | 1.53Å | 1.48Å | |
| F14 | C11 | sing | 1.40Å | 1.34Å | |
| C04 | C03 | sing | 1.42Å | 1.41Å | Aromatic |
| N06 | C01 | doub | 1.32Å | 1.37Å | Aromatic |
| C11 | F13 | sing | 1.40Å | 1.34Å | |
| C11 | F12 | sing | 1.40Å | 1.33Å | |
| C29 | C30 | doub | 1.38Å | 1.46Å | Aromatic |
| C20 | N21 | sing | 1.47Å | 1.47Å | |
| C03 | N17 | sing | 1.38Å | 1.38Å | |
| C03 | N02 | doub | 1.32Å | 1.34Å | Aromatic |
| N17 | C18 | sing | 1.46Å | 1.46Å | |
| C26 | C43 | sing | 1.51Å | 1.51Å | |
| C26 | C25 | doub | 1.37Å | 1.45Å | Aromatic |
| C01 | N02 | sing | 1.33Å | 1.39Å | Aromatic |
| C01 | N15 | sing | 1.38Å | 1.39Å | |
| C37 | C36 | sing | 1.55Å | 1.58Å | |
| C37 | N40 | sing | 1.47Å | 1.46Å | |
| C18 | C23 | sing | 1.53Å | 1.49Å | |
| N15 | C16 | sing | 1.47Å | 1.47Å | |
| C30 | C25 | sing | 1.39Å | 1.43Å | Aromatic |
| C25 | C24 | sing | 1.51Å | 1.53Å | |
| N40 | C41 | sing | 1.35Å | 1.43Å | |
| N21 | C24 | sing | 1.47Å | 1.38Å | |
| N21 | C22 | sing | 1.47Å | 1.47Å | |
| C23 | C22 | sing | 1.53Å | 1.55Å | |
| O42 | C41 | doub | 1.21Å | 1.18Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C20 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H4 | sing | 1.09Å | 1.10Å | |
| C22 | H5 | sing | 1.09Å | 1.10Å | |
| C22 | H6 | sing | 1.09Å | 1.10Å | |
| C24 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C07 | H9 | sing | 1.08Å | 1.08Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C29 | H18 | sing | 1.08Å | 1.08Å | |
| C30 | H19 | sing | 1.08Å | 1.08Å | |
| C31 | H20 | sing | 1.08Å | 1.08Å | |
| C34 | H21 | sing | 1.09Å | 1.10Å | |
| C34 | H22 | sing | 1.09Å | 1.10Å | |
| C36 | H23 | sing | 1.09Å | 1.10Å | |
| C36 | H24 | sing | 1.09Å | 1.10Å | |
| C38 | H25 | sing | 1.09Å | 1.10Å | |
| C38 | H26 | sing | 1.09Å | 1.10Å | |
| C39 | H27 | sing | 1.09Å | 1.10Å | |
| C39 | H28 | sing | 1.09Å | 1.10Å | |
| C41 | H29 | sing | 1.08Å | 1.08Å | |
| C43 | H30 | sing | 1.09Å | 1.10Å | |
| C43 | H31 | sing | 1.09Å | 1.10Å | |
| C43 | H32 | sing | 1.09Å | 1.10Å | |
| N15 | H33 | sing | 0.97Å | 1.00Å | |
| N17 | H34 | sing | 0.97Å | 1.00Å | |
| N40 | H36 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N45 | C44 | C32 | 177.7° | 180.0° |
| C44 | C32 | N33 | 121.3° | 125.4° |
| C44 | C32 | C31 | 127.3° | 125.4° |
| N33 | C34 | C35 | 109.0° | 109.5° |
| C34 | N33 | C32 | 127.5° | 125.6° |
| C34 | N33 | C28 | 125.8° | 125.6° |
| N33 | C34 | H21 | 109.6° | 109.5° |
| N33 | C34 | H22 | 109.6° | 109.5° |
| C34 | C35 | C38 | 116.7° | 129.1° |
| C34 | C35 | C39 | 130.1° | 129.0° |
| C34 | C35 | C36 | 126.4° | 129.1° |
| C35 | C34 | H21 | 109.6° | 109.4° |
| C35 | C34 | H22 | 109.6° | 109.4° |
| N33 | C32 | C31 | 111.4° | 109.2° |
| C32 | N33 | C28 | 106.7° | 108.7° |
| C32 | C31 | C27 | 103.3° | 107.7° |
| C32 | C31 | H20 | 128.3° | 126.1° |
| N33 | C28 | C27 | 107.5° | 107.4° |
| N33 | C28 | C29 | 127.5° | 133.1° |
| C08 | C10 | C11 | 107.8° | 109.5° |
| C10 | C08 | S09 | 126.4° | 124.3° |
| C10 | C08 | C07 | 119.0° | 124.3° |
| C08 | C10 | H1 | 109.9° | 109.4° |
| C08 | C10 | H2 | 109.9° | 109.5° |
| C10 | C11 | F14 | 111.2° | 109.5° |
| C10 | C11 | F13 | 112.6° | 109.5° |
| C10 | C11 | F12 | 115.6° | 109.4° |
| C11 | C10 | H1 | 109.9° | 109.4° |
| C11 | C10 | H2 | 109.9° | 109.5° |
| C31 | C27 | C28 | 111.0° | 106.9° |
| C31 | C27 | C26 | 129.9° | 133.4° |
| C27 | C31 | H20 | 128.4° | 126.2° |
| S09 | C08 | C07 | 114.6° | 111.4° |
| C08 | S09 | C05 | 94.1° | 92.2° |
| C08 | C07 | C04 | 106.5° | 114.8° |
| C08 | C07 | H9 | 126.8° | 122.6° |
| C35 | C38 | C37 | 70.9° | 78.6° |
| C38 | C35 | C39 | 92.1° | 84.5° |
| C38 | C35 | C36 | 90.7° | 84.5° |
| C35 | C38 | H25 | 118.1° | 115.0° |
| C35 | C38 | H26 | 118.1° | 114.9° |
| C38 | C37 | C39 | 91.7° | 83.7° |
| C38 | C37 | C36 | 90.5° | 84.5° |
| C38 | C37 | N40 | 125.1° | 129.1° |
| C37 | C38 | H25 | 118.1° | 115.0° |
| C37 | C38 | H26 | 118.1° | 114.9° |
| S09 | C05 | C04 | 115.5° | 109.6° |
| S09 | C05 | N06 | 127.1° | 131.1° |
| C39 | C35 | C36 | 90.2° | 84.5° |
| C35 | C39 | C37 | 69.1° | 78.2° |
| C35 | C39 | H27 | 118.4° | 114.9° |
| C35 | C39 | H28 | 118.4° | 114.9° |
| C35 | C36 | C37 | 70.0° | 78.6° |
| C35 | C36 | H23 | 118.2° | 115.0° |
| C35 | C36 | H24 | 118.2° | 115.0° |
| C07 | C04 | C05 | 109.3° | 112.0° |
| C07 | C04 | C03 | 129.1° | 130.3° |
| C04 | C07 | H9 | 126.7° | 122.6° |
| C27 | C28 | C29 | 125.0° | 119.5° |
| C28 | C27 | C26 | 119.1° | 119.7° |
| C28 | C29 | C30 | 113.7° | 119.8° |
| C28 | C29 | H18 | 123.1° | 120.1° |
| C27 | C26 | C43 | 119.8° | 120.1° |
| C27 | C26 | C25 | 117.5° | 119.8° |
| C04 | C05 | N06 | 117.4° | 119.2° |
| C05 | C04 | C03 | 121.5° | 117.7° |
| C05 | N06 | C01 | 118.3° | 120.9° |
| C39 | C37 | C36 | 86.8° | 83.8° |
| C39 | C37 | N40 | 126.0° | 130.0° |
| C37 | C39 | H27 | 118.4° | 114.6° |
| C37 | C39 | H28 | 118.4° | 115.8° |
| C20 | C19 | C18 | 111.8° | 109.3° |
| C19 | C20 | N21 | 110.9° | 109.5° |
| C19 | C20 | H3 | 109.1° | 109.4° |
| C19 | C20 | H4 | 109.1° | 109.4° |
| C20 | C19 | H14 | 108.9° | 109.5° |
| C20 | C19 | H15 | 108.9° | 109.5° |
| C19 | C18 | N17 | 113.2° | 109.6° |
| C19 | C18 | C23 | 108.9° | 109.2° |
| C19 | C18 | H13 | 108.8° | 109.6° |
| C18 | C19 | H14 | 108.9° | 109.5° |
| C18 | C19 | H15 | 108.9° | 109.5° |
| F14 | C11 | F13 | 105.2° | 109.5° |
| F14 | C11 | F12 | 105.0° | 109.5° |
| C04 | C03 | N17 | 120.1° | 120.5° |
| C04 | C03 | N02 | 120.0° | 119.0° |
| N06 | C01 | N02 | 123.7° | 122.0° |
| N06 | C01 | N15 | 118.5° | 119.0° |
| F13 | C11 | F12 | 106.4° | 109.5° |
| C29 | C30 | C25 | 122.5° | 120.7° |
| C30 | C29 | H18 | 123.2° | 120.1° |
| C29 | C30 | H19 | 118.8° | 119.7° |
| C20 | N21 | C24 | 113.7° | 111.0° |
| C20 | N21 | C22 | 108.7° | 111.2° |
| N21 | C20 | H3 | 109.1° | 109.4° |
| N21 | C20 | H4 | 109.1° | 109.5° |
| N17 | C03 | N02 | 119.8° | 120.5° |
| C03 | N17 | C18 | 121.3° | 120.0° |
| C03 | N17 | H34 | 106.4° | 120.0° |
| C03 | N02 | C01 | 118.9° | 121.1° |
| N17 | C18 | C23 | 108.0° | 109.6° |
| N17 | C18 | H13 | 109.1° | 109.5° |
| C18 | N17 | H34 | 106.5° | 120.0° |
| C43 | C26 | C25 | 122.7° | 120.1° |
| C26 | C43 | H30 | 109.5° | 109.4° |
| C26 | C43 | H31 | 109.5° | 109.5° |
| C26 | C43 | H32 | 109.5° | 109.5° |
| C26 | C25 | C30 | 122.2° | 120.6° |
| C26 | C25 | C24 | 120.2° | 119.7° |
| N02 | C01 | N15 | 117.8° | 119.0° |
| C01 | N15 | C16 | 120.5° | 120.0° |
| C01 | N15 | H33 | 106.7° | 120.1° |
| C36 | C37 | N40 | 125.4° | 129.1° |
| C37 | C36 | H23 | 118.2° | 115.0° |
| C37 | C36 | H24 | 118.2° | 115.0° |
| C37 | N40 | C41 | 122.8° | 120.0° |
| C37 | N40 | H36 | 118.6° | 120.0° |
| C18 | C23 | C22 | 110.6° | 109.3° |
| C23 | C18 | H13 | 108.6° | 109.5° |
| C18 | C23 | H16 | 109.2° | 109.5° |
| C18 | C23 | H17 | 109.2° | 109.5° |
| N15 | C16 | H10 | 109.5° | 109.5° |
| N15 | C16 | H11 | 109.5° | 109.4° |
| N15 | C16 | H12 | 109.4° | 109.5° |
| C16 | N15 | H33 | 106.6° | 119.9° |
| C30 | C25 | C24 | 117.6° | 119.7° |
| C25 | C30 | H19 | 118.8° | 119.7° |
| C25 | C24 | N21 | 115.1° | 109.5° |
| C25 | C24 | H7 | 108.0° | 109.5° |
| C25 | C24 | H8 | 108.1° | 109.4° |
| N40 | C41 | O42 | 119.9° | 120.0° |
| N40 | C41 | H29 | 120.0° | 120.0° |
| C41 | N40 | H36 | 118.6° | 120.0° |
| C24 | N21 | C22 | 108.9° | 111.1° |
| N21 | C24 | H7 | 108.1° | 109.5° |
| N21 | C24 | H8 | 108.0° | 109.4° |
| N21 | C22 | C23 | 111.9° | 109.6° |
| N21 | C22 | H5 | 108.8° | 109.5° |
| N21 | C22 | H6 | 108.9° | 109.4° |
| C23 | C22 | H5 | 108.9° | 109.5° |
| C23 | C22 | H6 | 108.8° | 109.5° |
| C22 | C23 | H16 | 109.2° | 109.5° |
| C22 | C23 | H17 | 109.2° | 109.5° |
| O42 | C41 | H29 | 120.0° | 120.0° |
| H1 | C10 | H2 | 109.4° | 109.4° |
| H3 | C20 | H4 | 109.5° | 109.5° |
| H5 | C22 | H6 | 109.5° | 109.4° |
| H7 | C24 | H8 | 109.4° | 109.5° |
| H10 | C16 | H11 | 109.5° | 109.4° |
| H10 | C16 | H12 | 109.5° | 109.5° |
| H11 | C16 | H12 | 109.5° | 109.5° |
| H14 | C19 | H15 | 109.4° | 109.6° |
| H16 | C23 | H17 | 109.5° | 109.5° |
| H21 | C34 | H22 | 109.5° | 109.5° |
| H23 | C36 | H24 | 109.5° | 113.8° |
| H25 | C38 | H26 | 109.5° | 113.9° |
| H27 | C39 | H28 | 109.5° | 113.9° |
| H30 | C43 | H31 | 109.5° | 109.5° |
| H30 | C43 | H32 | 109.4° | 109.5° |
| H31 | C43 | H32 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N45 | C44 | C32 | N33 | 17.2° | 127.4° |
| N45 | C44 | C32 | C31 | 161.9° | 52.5° |
| C44 | C32 | N33 | C34 | 1.4° | 0.1° |
| C44 | C32 | N33 | C31 | 179.3° | 179.9° |
| C44 | C32 | N33 | C28 | 178.5° | 180.0° |
| C44 | C32 | C31 | C27 | 179.8° | 180.0° |
| C44 | C32 | C31 | H20 | 0.2° | 0.0° |
| N33 | C34 | C35 | H21 | 119.9° | 120.0° |
| N33 | C34 | C35 | H22 | 119.9° | 120.0° |
| C34 | N33 | C32 | C28 | 177.2° | 180.0° |
| C34 | N33 | C32 | C31 | 179.4° | 180.0° |
| N33 | C34 | C35 | C38 | 173.1° | 60.1° |
| N33 | C34 | C35 | C39 | 68.5° | 180.0° |
| N33 | C34 | C35 | C36 | 60.2° | 60.0° |
| C34 | N33 | C28 | C27 | 179.7° | 180.0° |
| C34 | N33 | C28 | C29 | 0.9° | 0.1° |
| N33 | C34 | H21 | H22 | 120.2° | 120.1° |
| C35 | C34 | N33 | C32 | 89.0° | 90.0° |
| C35 | C34 | N33 | C28 | 87.7° | 90.0° |
| C34 | C35 | C38 | C39 | 137.7° | 137.4° |
| C34 | C35 | C38 | C36 | 132.1° | 137.6° |
| C34 | C35 | C38 | C37 | 177.6° | 179.5° |
| C34 | C35 | C39 | C36 | 141.1° | 137.5° |
| C34 | C35 | C39 | C37 | 170.8° | 180.0° |
| C34 | C35 | C36 | C37 | 168.1° | 179.5° |
| C35 | C34 | H21 | H22 | 120.2° | 119.9° |
| C34 | C35 | C36 | H23 | 56.0° | 67.1° |
| C34 | C35 | C36 | H24 | 79.8° | 68.0° |
| C34 | C35 | C38 | H25 | 70.1° | 68.0° |
| C34 | C35 | C38 | H26 | 65.2° | 67.2° |
| C34 | C35 | C39 | H27 | 77.4° | 68.2° |
| C34 | C35 | C39 | H28 | 58.9° | 66.8° |
| N33 | C32 | C31 | C27 | 1.0° | 0.0° |
| C32 | N33 | C28 | C27 | 2.5° | 0.0° |
| C32 | N33 | C28 | C29 | 178.1° | 179.9° |
| N33 | C32 | C31 | H20 | 179.0° | 180.0° |
| C32 | N33 | C34 | H21 | 30.9° | 30.0° |
| C32 | N33 | C34 | H22 | 151.1° | 150.0° |
| C31 | C32 | N33 | C28 | 2.2° | 0.0° |
| C32 | C31 | C27 | H20 | 180.0° | 180.0° |
| C32 | C31 | C27 | C28 | 0.6° | 0.0° |
| C32 | C31 | C27 | C26 | 180.0° | 180.0° |
| N33 | C28 | C27 | C31 | 2.0° | 0.0° |
| N33 | C28 | C27 | C29 | 179.4° | 179.9° |
| N33 | C28 | C27 | C26 | 178.5° | 180.0° |
| N33 | C28 | C29 | C30 | 179.3° | 179.7° |
| N33 | C28 | C29 | H18 | 0.7° | 0.1° |
| C28 | N33 | C34 | H21 | 152.4° | 150.0° |
| C28 | N33 | C34 | H22 | 32.2° | 30.0° |
| C08 | C10 | C11 | H1 | 119.8° | 120.0° |
| C08 | C10 | C11 | H2 | 119.7° | 120.1° |
| C10 | C08 | S09 | C07 | 178.3° | 179.9° |
| C10 | C08 | S09 | C05 | 176.9° | 180.0° |
| C10 | C08 | C07 | C04 | 177.6° | 179.7° |
| C08 | C10 | C11 | F14 | 179.0° | 180.0° |
| C08 | C10 | C11 | F13 | 63.1° | 59.9° |
| C08 | C10 | C11 | F12 | 59.4° | 60.0° |
| C08 | C10 | H1 | H2 | 120.7° | 120.0° |
| C10 | C08 | C07 | H9 | 2.4° | 0.1° |
| C11 | C10 | C08 | S09 | 84.8° | 90.0° |
| C11 | C10 | C08 | C07 | 93.4° | 89.9° |
| C10 | C11 | F14 | F13 | 122.2° | 120.0° |
| C10 | C11 | F14 | F12 | 125.7° | 120.0° |
| C10 | C11 | F13 | F12 | 127.6° | 119.9° |
| C11 | C10 | H1 | H2 | 120.8° | 120.0° |
| C31 | C27 | C28 | C26 | 179.5° | 180.0° |
| C31 | C27 | C28 | C29 | 178.6° | 179.9° |
| C31 | C27 | C26 | C43 | 1.7° | 0.0° |
| C31 | C27 | C26 | C25 | 177.8° | 179.7° |
| S09 | C08 | C07 | C04 | 0.9° | 0.4° |
| C08 | S09 | C05 | C04 | 1.5° | 0.2° |
| C08 | S09 | C05 | N06 | 179.9° | 179.2° |
| S09 | C08 | C10 | H1 | 155.4° | 30.0° |
| S09 | C08 | C10 | H2 | 34.9° | 150.0° |
| S09 | C08 | C07 | H9 | 179.1° | 179.7° |
| C07 | C08 | S09 | C05 | 1.4° | 0.1° |
| C08 | C07 | C04 | H9 | 180.0° | 179.9° |
| C08 | C07 | C04 | C05 | 0.2° | 0.6° |
| C08 | C07 | C04 | C03 | 179.3° | 180.0° |
| C07 | C08 | C10 | H1 | 26.3° | 150.1° |
| C07 | C08 | C10 | H2 | 146.8° | 30.2° |
| C35 | C38 | C37 | H25 | 112.3° | 112.4° |
| C35 | C38 | C37 | H26 | 112.3° | 112.4° |
| C38 | C35 | C39 | C36 | 90.7° | 85.0° |
| C35 | C38 | C37 | C39 | 43.0° | 42.4° |
| C35 | C38 | C37 | C36 | 43.8° | 41.9° |
| C35 | C38 | C37 | N40 | 179.3° | 179.6° |
| C38 | C35 | C34 | H21 | 67.0° | 60.0° |
| C38 | C35 | C34 | H22 | 53.2° | 180.0° |
| C38 | C35 | C36 | H23 | 68.6° | 70.5° |
| C38 | C35 | C36 | H24 | 155.6° | 154.4° |
| C35 | C38 | H25 | H26 | 138.9° | 135.7° |
| C38 | C35 | C39 | H27 | 154.5° | 154.4° |
| C38 | C35 | C39 | H28 | 69.3° | 70.6° |
| C38 | C37 | C39 | C36 | 90.4° | 85.2° |
| C38 | C37 | C39 | N40 | 137.0° | 137.4° |
| C38 | C37 | C36 | N40 | 135.3° | 137.6° |
| C38 | C37 | N40 | C41 | 151.4° | 59.9° |
| C38 | C37 | C36 | H23 | 67.0° | 70.5° |
| C38 | C37 | C36 | H24 | 157.1° | 154.4° |
| C37 | C38 | H25 | H26 | 138.9° | 135.7° |
| C38 | C37 | C39 | H27 | 155.9° | 154.8° |
| C38 | C37 | C39 | H28 | 67.8° | 69.5° |
| C38 | C37 | N40 | H36 | 28.7° | 120.2° |
| S09 | C05 | C04 | C07 | 1.2° | 0.5° |
| S09 | C05 | C04 | N06 | 178.5° | 179.2° |
| S09 | C05 | C04 | C03 | 178.3° | 180.0° |
| S09 | C05 | N06 | C01 | 179.5° | 179.5° |
| C35 | C39 | C37 | H27 | 111.9° | 112.2° |
| C35 | C39 | C37 | H28 | 111.9° | 112.2° |
| C39 | C35 | C36 | C37 | 48.5° | 43.0° |
| C35 | C39 | C37 | N40 | 178.9° | 180.0° |
| C39 | C35 | C34 | H21 | 51.5° | 59.9° |
| C39 | C35 | C34 | H22 | 171.6° | 60.1° |
| C39 | C35 | C36 | H23 | 160.6° | 155.4° |
| C39 | C35 | C36 | H24 | 63.5° | 69.5° |
| C39 | C35 | C38 | H25 | 67.5° | 69.4° |
| C39 | C35 | C38 | H26 | 157.1° | 155.4° |
| C35 | C39 | H27 | H28 | 139.8° | 135.5° |
| C35 | C36 | C37 | H23 | 112.1° | 112.5° |
| C35 | C36 | C37 | H24 | 112.1° | 112.4° |
| C35 | C36 | C37 | N40 | 179.6° | 179.6° |
| C36 | C35 | C34 | H21 | 179.8° | 179.9° |
| C36 | C35 | C34 | H22 | 59.7° | 60.0° |
| C35 | C36 | H23 | H24 | 139.4° | 135.6° |
| C36 | C35 | C38 | H25 | 157.7° | 154.4° |
| C36 | C35 | C38 | H26 | 66.9° | 70.4° |
| C36 | C35 | C39 | H27 | 63.7° | 69.3° |
| C36 | C35 | C39 | H28 | 160.0° | 155.7° |
| C07 | C04 | C05 | C03 | 179.5° | 179.5° |
| C07 | C04 | C05 | N06 | 179.8° | 179.6° |
| C07 | C04 | C03 | N17 | 1.6° | 0.0° |
| C07 | C04 | C03 | N02 | 176.7° | 180.0° |
| C27 | C28 | C29 | C30 | 1.4° | 0.2° |
| C28 | C27 | C26 | C43 | 178.9° | 180.0° |
| C28 | C27 | C26 | C25 | 1.6° | 0.3° |
| C27 | C28 | C29 | H18 | 178.6° | 180.0° |
| C28 | C27 | C31 | H20 | 179.4° | 180.0° |
| C29 | C28 | C27 | C26 | 0.9° | 0.1° |
| C28 | C29 | C30 | H18 | 180.0° | 179.8° |
| C28 | C29 | C30 | C25 | 3.1° | 0.2° |
| C28 | C29 | C30 | H19 | 176.9° | 179.9° |
| C27 | C26 | C43 | C25 | 179.5° | 179.7° |
| C27 | C26 | C25 | C30 | 0.0° | 0.3° |
| C27 | C26 | C25 | C24 | 178.3° | 179.7° |
| C26 | C27 | C31 | H20 | 0.0° | 0.0° |
| C27 | C26 | C43 | H30 | 89.7° | 95.7° |
| C27 | C26 | C43 | H31 | 150.3° | 24.3° |
| C27 | C26 | C43 | H32 | 30.3° | 144.3° |
| C04 | C05 | N06 | C01 | 2.2° | 0.6° |
| C05 | C04 | C03 | N17 | 177.8° | 179.5° |
| C05 | C04 | C03 | N02 | 3.9° | 0.6° |
| C05 | C04 | C07 | H9 | 179.8° | 179.5° |
| N06 | C05 | C04 | C03 | 0.2° | 0.8° |
| C05 | N06 | C01 | N02 | 1.2° | 0.0° |
| C05 | N06 | C01 | N15 | 177.6° | 179.7° |
| C39 | C37 | C36 | N40 | 133.0° | 138.1° |
| C39 | C37 | N40 | C41 | 27.7° | 60.0° |
| C39 | C37 | C36 | H23 | 158.7° | 154.8° |
| C39 | C37 | C36 | H24 | 65.4° | 70.1° |
| C39 | C37 | C38 | H25 | 69.3° | 70.0° |
| C39 | C37 | C38 | H26 | 155.3° | 154.7° |
| C37 | C39 | H27 | H28 | 139.9° | 136.6° |
| C39 | C37 | N40 | H36 | 152.3° | 120.0° |
| C20 | C19 | C18 | H14 | 120.3° | 119.9° |
| C20 | C19 | C18 | H15 | 120.4° | 119.9° |
| C19 | C20 | N21 | H3 | 120.2° | 120.0° |
| C19 | C20 | N21 | H4 | 120.2° | 120.0° |
| C20 | C19 | C18 | N17 | 177.2° | 177.6° |
| C20 | C19 | C18 | C23 | 57.0° | 57.6° |
| C19 | C20 | N21 | C24 | 180.0° | 174.1° |
| C19 | C20 | N21 | C22 | 58.5° | 61.7° |
| C19 | C20 | H3 | H4 | 119.3° | 119.9° |
| C20 | C19 | C18 | H13 | 61.3° | 62.3° |
| C20 | C19 | H14 | H15 | 118.9° | 120.1° |
| C18 | C19 | C20 | N21 | 59.9° | 59.1° |
| C19 | C18 | N17 | C03 | 132.0° | 85.3° |
| C19 | C18 | N17 | C23 | 120.7° | 119.8° |
| C19 | C18 | N17 | H13 | 121.4° | 120.2° |
| C19 | C18 | C23 | H13 | 118.4° | 119.9° |
| C19 | C18 | C23 | C22 | 54.9° | 57.6° |
| C18 | C19 | C20 | H3 | 60.3° | 60.8° |
| C18 | C19 | C20 | H4 | 179.9° | 179.2° |
| C18 | C19 | H14 | H15 | 119.0° | 120.1° |
| C19 | C18 | C23 | H16 | 65.3° | 177.6° |
| C19 | C18 | C23 | H17 | 175.1° | 62.3° |
| C19 | C18 | N17 | H34 | 10.3° | 94.8° |
| F14 | C11 | F13 | F12 | 111.1° | 120.1° |
| F14 | C11 | C10 | H1 | 59.3° | 60.0° |
| F14 | C11 | C10 | H2 | 61.2° | 59.9° |
| C04 | C03 | N17 | N02 | 178.3° | 180.0° |
| C04 | C03 | N17 | C18 | 175.3° | 180.0° |
| C04 | C03 | N02 | C01 | 4.9° | 0.0° |
| C03 | C04 | C07 | H9 | 0.7° | 0.1° |
| C04 | C03 | N17 | H34 | 53.6° | 0.0° |
| N06 | C01 | N02 | C03 | 2.5° | 0.3° |
| N06 | C01 | N02 | N15 | 178.8° | 179.7° |
| N06 | C01 | N15 | C16 | 172.7° | 0.2° |
| N06 | C01 | N15 | H33 | 51.1° | 179.7° |
| F13 | C11 | C10 | H1 | 177.1° | 60.0° |
| F13 | C11 | C10 | H2 | 56.6° | 180.0° |
| F12 | C11 | C10 | H1 | 60.3° | 180.0° |
| F12 | C11 | C10 | H2 | 179.2° | 60.1° |
| C29 | C30 | C25 | C26 | 2.5° | 0.0° |
| C29 | C30 | C25 | H19 | 180.0° | 179.7° |
| C29 | C30 | C25 | C24 | 179.1° | 180.0° |
| C20 | N21 | C24 | C25 | 59.2° | 164.2° |
| C20 | N21 | C24 | C22 | 121.3° | 124.3° |
| C20 | N21 | C22 | C23 | 57.7° | 61.7° |
| N21 | C20 | H3 | H4 | 119.4° | 120.0° |
| C20 | N21 | C22 | H5 | 62.7° | 178.2° |
| C20 | N21 | C22 | H6 | 178.0° | 58.4° |
| C20 | N21 | C24 | H7 | 61.6° | 44.1° |
| C20 | N21 | C24 | H8 | 180.0° | 75.9° |
| N21 | C20 | C19 | H14 | 60.5° | 60.8° |
| N21 | C20 | C19 | H15 | 179.7° | 179.1° |
| C03 | N17 | C18 | H34 | 121.6° | 180.0° |
| N17 | C03 | N02 | C01 | 176.8° | 180.0° |
| C03 | N17 | C18 | C23 | 107.4° | 155.0° |
| C03 | N17 | C18 | H13 | 10.6° | 34.9° |
| N02 | C03 | N17 | C18 | 6.5° | 0.0° |
| C03 | N02 | C01 | N15 | 178.8° | 180.0° |
| N02 | C03 | N17 | H34 | 128.1° | 179.9° |
| N17 | C18 | C23 | H13 | 118.2° | 120.1° |
| N17 | C18 | C23 | C22 | 178.3° | 177.6° |
| N17 | C18 | C19 | H14 | 56.9° | 57.7° |
| N17 | C18 | C19 | H15 | 62.4° | 62.5° |
| N17 | C18 | C23 | H16 | 58.1° | 62.4° |
| N17 | C18 | C23 | H17 | 61.6° | 57.7° |
| C43 | C26 | C25 | C30 | 179.5° | 179.9° |
| C43 | C26 | C25 | C24 | 1.1° | 0.0° |
| C26 | C43 | H30 | H31 | 120.0° | 120.0° |
| C26 | C43 | H30 | H32 | 120.0° | 120.0° |
| C26 | C43 | H31 | H32 | 120.0° | 120.1° |
| C26 | C25 | C30 | C24 | 178.4° | 180.0° |
| C26 | C25 | C24 | N21 | 119.9° | 74.3° |
| C26 | C25 | C24 | H7 | 1.0° | 45.8° |
| C26 | C25 | C24 | H8 | 119.3° | 165.8° |
| C26 | C25 | C30 | H19 | 177.5° | 179.7° |
| C25 | C26 | C43 | H30 | 89.7° | 84.6° |
| C25 | C26 | C43 | H31 | 30.3° | 155.4° |
| C25 | C26 | C43 | H32 | 150.3° | 35.4° |
| N02 | C01 | N15 | C16 | 6.2° | 180.0° |
| N02 | C01 | N15 | H33 | 127.7° | 0.0° |
| C01 | N15 | C16 | H33 | 121.6° | 179.9° |
| C01 | N15 | C16 | H10 | 180.0° | 180.0° |
| C01 | N15 | C16 | H11 | 60.0° | 60.0° |
| C01 | N15 | C16 | H12 | 60.0° | 59.9° |
| C36 | C37 | N40 | C41 | 87.8° | 180.0° |
| C37 | C36 | H23 | H24 | 139.4° | 135.7° |
| C36 | C37 | C38 | H25 | 156.1° | 154.3° |
| C36 | C37 | C38 | H26 | 68.5° | 70.4° |
| C36 | C37 | C39 | H27 | 65.5° | 69.6° |
| C36 | C37 | C39 | H28 | 158.3° | 154.7° |
| C36 | C37 | N40 | H36 | 92.2° | 0.0° |
| C37 | N40 | C41 | H36 | 180.0° | 180.0° |
| C37 | N40 | C41 | O42 | 0.3° | 0.0° |
| N40 | C37 | C36 | H23 | 68.3° | 67.1° |
| N40 | C37 | C36 | H24 | 67.6° | 68.0° |
| N40 | C37 | C38 | H25 | 68.3° | 68.1° |
| N40 | C37 | C38 | H26 | 67.0° | 67.2° |
| N40 | C37 | C39 | H27 | 67.1° | 67.9° |
| N40 | C37 | C39 | H28 | 69.2° | 67.8° |
| C37 | N40 | C41 | H29 | 179.6° | 180.0° |
| C18 | C23 | C22 | N21 | 57.1° | 59.1° |
| C18 | C23 | C22 | H16 | 120.2° | 120.0° |
| C18 | C23 | C22 | H17 | 120.2° | 119.9° |
| C18 | C23 | C22 | H5 | 63.3° | 179.2° |
| C18 | C23 | C22 | H6 | 177.4° | 60.9° |
| C23 | C18 | C19 | H14 | 63.3° | 62.3° |
| C23 | C18 | C19 | H15 | 177.4° | 177.5° |
| C18 | C23 | H16 | H17 | 119.5° | 120.0° |
| C23 | C18 | N17 | H34 | 131.0° | 25.0° |
| N15 | C16 | H10 | H11 | 120.0° | 119.9° |
| N15 | C16 | H10 | H12 | 120.0° | 120.1° |
| N15 | C16 | H11 | H12 | 120.0° | 120.0° |
| C30 | C25 | C24 | N21 | 61.7° | 105.8° |
| C30 | C25 | C24 | H7 | 177.4° | 134.2° |
| C30 | C25 | C24 | H8 | 59.1° | 14.2° |
| C25 | C30 | C29 | H18 | 176.9° | 180.0° |
| C25 | C24 | N21 | H7 | 120.8° | 120.1° |
| C25 | C24 | N21 | H8 | 120.8° | 119.9° |
| C25 | C24 | N21 | C22 | 179.5° | 71.5° |
| C25 | C24 | H7 | H8 | 117.4° | 120.0° |
| C24 | C25 | C30 | H19 | 0.9° | 0.3° |
| N40 | C41 | O42 | H29 | 180.0° | 180.0° |
| C24 | N21 | C22 | C23 | 177.9° | 174.2° |
| C24 | N21 | C20 | H3 | 59.8° | 65.9° |
| C24 | N21 | C20 | H4 | 59.8° | 54.1° |
| C24 | N21 | C22 | H5 | 61.7° | 54.1° |
| C24 | N21 | C22 | H6 | 57.6° | 65.8° |
| N21 | C24 | H7 | H8 | 117.4° | 120.0° |
| N21 | C22 | C23 | H5 | 120.3° | 120.1° |
| N21 | C22 | C23 | H6 | 120.4° | 120.0° |
| C22 | N21 | C20 | H3 | 61.7° | 58.3° |
| C22 | N21 | C20 | H4 | 178.8° | 178.3° |
| N21 | C22 | H5 | H6 | 118.9° | 119.9° |
| C22 | N21 | C24 | H7 | 59.7° | 168.4° |
| C22 | N21 | C24 | H8 | 58.7° | 48.3° |
| N21 | C22 | C23 | H16 | 63.1° | 179.1° |
| N21 | C22 | C23 | H17 | 177.3° | 60.8° |
| C23 | C22 | H5 | H6 | 118.9° | 120.0° |
| C22 | C23 | C18 | H13 | 63.5° | 62.3° |
| C22 | C23 | H16 | H17 | 119.5° | 120.1° |
| O42 | C41 | N40 | H36 | 179.7° | 180.0° |
| H3 | C20 | C19 | H14 | 179.3° | 179.2° |
| H3 | C20 | C19 | H15 | 60.0° | 59.1° |
| H4 | C20 | C19 | H14 | 59.8° | 59.3° |
| H4 | C20 | C19 | H15 | 59.5° | 60.8° |
| H5 | C22 | C23 | H16 | 176.6° | 60.8° |
| H5 | C22 | C23 | H17 | 56.9° | 59.3° |
| H6 | C22 | C23 | H16 | 57.3° | 59.1° |
| H6 | C22 | C23 | H17 | 62.4° | 179.2° |
| H10 | C16 | H11 | H12 | 120.0° | 120.0° |
| H10 | C16 | N15 | H33 | 58.4° | 0.1° |
| H11 | C16 | N15 | H33 | 178.4° | 120.1° |
| H12 | C16 | N15 | H33 | 61.6° | 120.0° |
| H13 | C18 | C19 | H14 | 178.4° | 177.8° |
| H13 | C18 | C19 | H15 | 59.1° | 57.7° |
| H13 | C18 | C23 | H16 | 176.4° | 57.7° |
| H13 | C18 | C23 | H17 | 56.7° | 177.7° |
| H13 | C18 | N17 | H34 | 111.0° | 145.1° |
| H18 | C29 | C30 | H19 | 3.1° | 0.3° |
| H29 | C41 | N40 | H36 | 0.3° | 0.1° |
| H30 | C43 | H31 | H32 | 120.0° | 120.0° |
