JDG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C24 | C23 | sing | 1.53Å | 1.54Å | |
| C11 | C10 | sing | 1.54Å | 1.33Å | |
| C11 | C12 | sing | 1.55Å | 1.47Å | |
| C23 | N22 | sing | 1.47Å | 1.22Å | |
| C23 | C25 | sing | 1.53Å | 1.54Å | |
| C10 | N09 | sing | 1.47Å | 1.59Å | |
| N22 | C26 | sing | 1.47Å | 1.45Å | |
| N22 | C21 | sing | 1.47Å | 1.44Å | |
| C01 | O02 | sing | 1.43Å | 1.42Å | |
| C12 | C13 | sing | 1.55Å | 1.57Å | |
| C26 | C27 | sing | 1.53Å | 1.53Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C27 | C19 | sing | 1.53Å | 1.44Å | |
| C20 | C19 | sing | 1.53Å | 1.45Å | |
| O02 | C03 | sing | 1.36Å | 1.41Å | |
| N09 | C13 | sing | 1.48Å | 1.26Å | |
| N09 | C08 | sing | 1.47Å | 1.19Å | |
| C19 | N18 | sing | 1.47Å | 1.50Å | |
| C08 | C07 | sing | 1.53Å | 1.56Å | |
| N18 | C17 | sing | 1.38Å | 1.53Å | |
| C03 | C38 | sing | 1.38Å | 1.40Å | Aromatic |
| C03 | C04 | doub | 1.39Å | 1.41Å | Aromatic |
| C38 | C16 | doub | 1.40Å | 1.42Å | Aromatic |
| O05 | C04 | sing | 1.36Å | 1.43Å | |
| O05 | C06 | sing | 1.43Å | 1.41Å | |
| C04 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | C16 | sing | 1.47Å | 1.57Å | |
| C17 | N28 | doub | 1.29Å | 1.46Å | |
| C16 | C15 | sing | 1.40Å | 1.40Å | Aromatic |
| C07 | C06 | sing | 1.53Å | 1.56Å | |
| C14 | C15 | doub | 1.40Å | 1.44Å | Aromatic |
| C15 | N37 | sing | 1.36Å | 1.48Å | |
| N28 | C29 | sing | 1.47Å | 1.46Å | |
| C29 | C30 | sing | 1.50Å | 1.53Å | |
| N37 | C30 | doub | 1.27Å | 1.45Å | |
| C30 | C31 | sing | 1.51Å | 1.58Å | |
| C32 | C31 | sing | 1.53Å | 1.53Å | |
| C32 | C33 | sing | 1.53Å | 1.53Å | |
| C31 | C36 | sing | 1.53Å | 1.53Å | |
| C33 | C34 | sing | 1.53Å | 1.53Å | |
| C36 | C35 | sing | 1.53Å | 1.53Å | |
| C34 | C35 | sing | 1.53Å | 1.53Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | 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 | |
| C24 | H9 | sing | 1.09Å | 1.10Å | |
| C24 | H10 | sing | 1.09Å | 1.10Å | |
| C24 | H11 | sing | 1.09Å | 1.10Å | |
| C26 | H12 | sing | 1.09Å | 1.10Å | |
| C26 | H13 | sing | 1.09Å | 1.10Å | |
| C01 | H14 | sing | 1.09Å | 1.10Å | |
| C01 | H15 | sing | 1.09Å | 1.10Å | |
| C01 | H16 | sing | 1.09Å | 1.10Å | |
| C06 | H17 | sing | 1.09Å | 1.10Å | |
| C06 | H18 | sing | 1.09Å | 1.10Å | |
| C07 | H19 | sing | 1.09Å | 1.10Å | |
| C07 | H20 | sing | 1.09Å | 1.10Å | |
| C08 | H21 | sing | 1.09Å | 1.10Å | |
| C08 | H22 | sing | 1.09Å | 1.10Å | |
| C11 | H23 | sing | 1.09Å | 1.10Å | |
| C11 | H24 | sing | 1.09Å | 1.10Å | |
| C12 | H25 | sing | 1.09Å | 1.10Å | |
| C12 | H26 | sing | 1.09Å | 1.10Å | |
| C14 | H27 | sing | 1.08Å | 1.08Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| C23 | H29 | sing | 1.09Å | 1.10Å | |
| C25 | H30 | sing | 1.09Å | 1.10Å | |
| C25 | H31 | sing | 1.09Å | 1.10Å | |
| C25 | H32 | sing | 1.09Å | 1.10Å | |
| C27 | H33 | sing | 1.09Å | 1.10Å | |
| C27 | H34 | sing | 1.09Å | 1.10Å | |
| C29 | H35 | sing | 1.09Å | 1.10Å | |
| C29 | H36 | sing | 1.09Å | 1.10Å | |
| C31 | H38 | sing | 1.09Å | 1.10Å | |
| C32 | H39 | sing | 1.09Å | 1.10Å | |
| C32 | H40 | sing | 1.09Å | 1.10Å | |
| C33 | H41 | sing | 1.09Å | 1.10Å | |
| C33 | H42 | sing | 1.09Å | 1.10Å | |
| C34 | H43 | sing | 1.09Å | 1.10Å | |
| C34 | H44 | sing | 1.09Å | 1.10Å | |
| C35 | H45 | sing | 1.09Å | 1.10Å | |
| C35 | H46 | sing | 1.09Å | 1.10Å | |
| C36 | H47 | sing | 1.09Å | 1.10Å | |
| C36 | H48 | sing | 1.09Å | 1.10Å | |
| C38 | H49 | sing | 1.08Å | 1.08Å | |
| N18 | H37 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | C23 | N22 | 110.0° | 109.5° |
| C24 | C23 | C25 | 112.7° | 109.5° |
| C23 | C24 | H9 | 109.5° | 109.4° |
| C23 | C24 | H10 | 109.4° | 109.4° |
| C23 | C24 | H11 | 109.5° | 109.5° |
| C24 | C23 | H29 | 105.5° | 109.5° |
| C10 | C11 | C12 | 106.1° | 103.0° |
| C11 | C10 | N09 | 106.2° | 107.3° |
| C11 | C10 | H1 | 110.3° | 109.9° |
| C11 | C10 | H2 | 110.3° | 110.0° |
| C10 | C11 | H23 | 110.3° | 110.7° |
| C10 | C11 | H24 | 110.3° | 110.7° |
| C11 | C12 | C13 | 104.7° | 101.7° |
| C12 | C11 | H23 | 110.3° | 110.7° |
| C12 | C11 | H24 | 110.3° | 110.7° |
| C11 | C12 | H25 | 110.6° | 111.0° |
| C11 | C12 | H26 | 110.6° | 111.0° |
| N22 | C23 | C25 | 113.0° | 109.5° |
| C23 | N22 | C26 | 113.9° | 111.0° |
| C23 | N22 | C21 | 111.8° | 111.0° |
| N22 | C23 | H29 | 109.8° | 109.4° |
| C25 | C23 | H29 | 105.5° | 109.5° |
| C23 | C25 | H30 | 109.5° | 109.4° |
| C23 | C25 | H31 | 109.5° | 109.5° |
| C23 | C25 | H32 | 109.4° | 109.5° |
| C10 | N09 | C13 | 104.0° | 108.6° |
| C10 | N09 | C08 | 109.8° | 111.0° |
| N09 | C10 | H1 | 110.3° | 109.9° |
| N09 | C10 | H2 | 110.3° | 109.9° |
| C26 | N22 | C21 | 112.8° | 111.2° |
| N22 | C26 | C27 | 111.6° | 109.5° |
| N22 | C26 | H12 | 108.9° | 109.5° |
| N22 | C26 | H13 | 108.9° | 109.5° |
| N22 | C21 | C20 | 110.7° | 109.5° |
| N22 | C21 | H7 | 109.2° | 109.4° |
| N22 | C21 | H8 | 109.2° | 109.4° |
| C01 | O02 | C03 | 114.1° | 117.0° |
| O02 | C01 | H14 | 109.5° | 109.5° |
| O02 | C01 | H15 | 109.5° | 109.5° |
| O02 | C01 | H16 | 109.4° | 109.5° |
| C12 | C13 | N09 | 103.7° | 104.8° |
| C12 | C13 | H3 | 110.9° | 110.3° |
| C12 | C13 | H4 | 110.9° | 110.4° |
| C13 | C12 | H25 | 110.7° | 111.0° |
| C13 | C12 | H26 | 110.7° | 111.0° |
| C26 | C27 | C19 | 113.0° | 109.3° |
| C27 | C26 | H12 | 108.9° | 109.4° |
| C27 | C26 | H13 | 109.0° | 109.5° |
| C26 | C27 | H33 | 108.6° | 109.5° |
| C26 | C27 | H34 | 108.6° | 109.5° |
| C21 | C20 | C19 | 112.2° | 109.3° |
| C21 | C20 | H5 | 108.8° | 109.5° |
| C21 | C20 | H6 | 108.8° | 109.5° |
| C20 | C21 | H7 | 109.2° | 109.5° |
| C20 | C21 | H8 | 109.1° | 109.5° |
| C27 | C19 | C20 | 113.7° | 109.2° |
| C27 | C19 | N18 | 108.2° | 109.5° |
| C27 | C19 | H28 | 109.0° | 109.6° |
| C19 | C27 | H33 | 108.6° | 109.5° |
| C19 | C27 | H34 | 108.6° | 109.5° |
| C20 | C19 | N18 | 108.4° | 109.5° |
| C19 | C20 | H5 | 108.8° | 109.5° |
| C19 | C20 | H6 | 108.8° | 109.5° |
| C20 | C19 | H28 | 109.0° | 109.5° |
| O02 | C03 | C38 | 120.3° | 120.0° |
| O02 | C03 | C04 | 119.8° | 120.0° |
| C13 | N09 | C08 | 114.3° | 111.0° |
| N09 | C13 | H3 | 110.9° | 110.4° |
| N09 | C13 | H4 | 110.9° | 110.5° |
| N09 | C08 | C07 | 112.0° | 109.5° |
| N09 | C08 | H21 | 108.9° | 109.5° |
| N09 | C08 | H22 | 108.8° | 109.4° |
| C19 | N18 | C17 | 118.2° | 120.0° |
| N18 | C19 | H28 | 108.3° | 109.5° |
| C19 | N18 | H37 | 120.9° | 120.0° |
| C08 | C07 | C06 | 113.6° | 109.5° |
| C08 | C07 | H19 | 108.4° | 109.5° |
| C08 | C07 | H20 | 108.4° | 109.5° |
| C07 | C08 | H21 | 108.9° | 109.5° |
| C07 | C08 | H22 | 108.8° | 109.5° |
| N18 | C17 | C16 | 119.2° | 117.9° |
| N18 | C17 | N28 | 117.7° | 117.9° |
| C17 | N18 | H37 | 120.9° | 120.0° |
| C38 | C03 | C04 | 119.9° | 120.0° |
| C03 | C38 | C16 | 120.4° | 120.6° |
| C03 | C38 | H49 | 119.8° | 119.7° |
| C03 | C04 | O05 | 117.3° | 120.0° |
| C03 | C04 | C14 | 120.0° | 120.1° |
| C38 | C16 | C17 | 112.5° | 117.6° |
| C38 | C16 | C15 | 120.8° | 119.4° |
| C16 | C38 | H49 | 119.8° | 119.7° |
| C04 | O05 | C06 | 116.9° | 117.0° |
| O05 | C04 | C14 | 122.7° | 120.0° |
| O05 | C06 | C07 | 107.2° | 109.5° |
| O05 | C06 | H17 | 110.0° | 109.5° |
| O05 | C06 | H18 | 110.0° | 109.4° |
| C04 | C14 | C15 | 120.8° | 120.5° |
| C04 | C14 | H27 | 119.6° | 119.8° |
| C16 | C17 | N28 | 122.0° | 124.2° |
| C17 | C16 | C15 | 126.6° | 123.0° |
| C17 | N28 | C29 | 125.5° | 121.2° |
| C16 | C15 | C14 | 118.0° | 119.4° |
| C16 | C15 | N37 | 124.6° | 123.3° |
| C07 | C06 | H17 | 110.0° | 109.5° |
| C07 | C06 | H18 | 110.0° | 109.4° |
| C06 | C07 | H19 | 108.4° | 109.4° |
| C06 | C07 | H20 | 108.4° | 109.5° |
| C14 | C15 | N37 | 117.4° | 117.3° |
| C15 | C14 | H27 | 119.6° | 119.7° |
| C15 | N37 | C30 | 134.7° | 125.7° |
| N28 | C29 | C30 | 109.3° | 108.6° |
| N28 | C29 | H35 | 109.5° | 109.7° |
| N28 | C29 | H36 | 109.5° | 109.7° |
| C29 | C30 | N37 | 120.4° | 122.5° |
| C29 | C30 | C31 | 115.8° | 118.8° |
| C30 | C29 | H35 | 109.5° | 109.6° |
| C30 | C29 | H36 | 109.5° | 109.6° |
| N37 | C30 | C31 | 120.4° | 118.7° |
| C30 | C31 | C32 | 97.8° | 109.5° |
| C30 | C31 | C36 | 120.9° | 109.5° |
| C30 | C31 | H38 | 108.1° | 109.5° |
| C31 | C32 | C33 | 111.9° | 109.5° |
| C32 | C31 | C36 | 111.9° | 109.5° |
| C32 | C31 | H38 | 108.7° | 109.5° |
| C31 | C32 | H39 | 108.9° | 109.5° |
| C31 | C32 | H40 | 108.9° | 109.5° |
| C32 | C33 | C34 | 112.6° | 109.5° |
| C33 | C32 | H39 | 108.8° | 109.5° |
| C33 | C32 | H40 | 108.8° | 109.5° |
| C32 | C33 | H41 | 108.7° | 109.5° |
| C32 | C33 | H42 | 108.7° | 109.5° |
| C31 | C36 | C35 | 111.1° | 109.4° |
| C36 | C31 | H38 | 108.7° | 109.5° |
| C31 | C36 | H47 | 109.1° | 109.5° |
| C31 | C36 | H48 | 109.1° | 109.5° |
| C33 | C34 | C35 | 113.0° | 109.5° |
| C34 | C33 | H41 | 108.7° | 109.4° |
| C34 | C33 | H42 | 108.7° | 109.5° |
| C33 | C34 | H43 | 108.6° | 109.5° |
| C33 | C34 | H44 | 108.6° | 109.5° |
| C36 | C35 | C34 | 112.6° | 109.5° |
| C36 | C35 | H45 | 108.7° | 109.5° |
| C36 | C35 | H46 | 108.7° | 109.4° |
| C35 | C36 | H47 | 109.1° | 109.5° |
| C35 | C36 | H48 | 109.0° | 109.5° |
| C35 | C34 | H43 | 108.6° | 109.5° |
| C35 | C34 | H44 | 108.6° | 109.5° |
| C34 | C35 | H45 | 108.7° | 109.5° |
| C34 | C35 | H46 | 108.7° | 109.5° |
| H1 | C10 | H2 | 109.5° | 109.8° |
| H3 | C13 | H4 | 109.5° | 110.3° |
| H5 | C20 | H6 | 109.4° | 109.5° |
| H7 | C21 | H8 | 109.5° | 109.5° |
| H9 | C24 | H10 | 109.4° | 109.4° |
| H9 | C24 | H11 | 109.5° | 109.5° |
| H10 | C24 | H11 | 109.5° | 109.5° |
| H12 | C26 | H13 | 109.5° | 109.5° |
| H14 | C01 | H15 | 109.4° | 109.5° |
| H14 | C01 | H16 | 109.5° | 109.4° |
| H15 | C01 | H16 | 109.5° | 109.5° |
| H17 | C06 | H18 | 109.5° | 109.5° |
| H19 | C07 | H20 | 109.5° | 109.4° |
| H21 | C08 | H22 | 109.5° | 109.5° |
| H23 | C11 | H24 | 109.5° | 110.8° |
| H25 | C12 | H26 | 109.5° | 110.9° |
| H30 | C25 | H31 | 109.4° | 109.4° |
| H30 | C25 | H32 | 109.5° | 109.5° |
| H31 | C25 | H32 | 109.5° | 109.5° |
| H33 | C27 | H34 | 109.5° | 109.5° |
| H35 | C29 | H36 | 109.5° | 109.6° |
| H39 | C32 | H40 | 109.5° | 109.5° |
| H41 | C33 | H42 | 109.4° | 109.4° |
| H43 | C34 | H44 | 109.5° | 109.4° |
| H45 | C35 | H46 | 109.5° | 109.5° |
| H47 | C36 | H48 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C24 | C23 | N22 | C25 | 126.9° | 120.1° |
| C24 | C23 | N22 | H29 | 115.6° | 120.0° |
| C24 | C23 | C25 | H29 | 114.5° | 120.0° |
| C24 | C23 | N22 | C26 | 77.6° | 180.0° |
| C24 | C23 | N22 | C21 | 153.1° | 55.8° |
| C23 | C24 | H9 | H10 | 120.0° | 119.9° |
| C23 | C24 | H9 | H11 | 120.0° | 120.0° |
| C23 | C24 | H10 | H11 | 120.0° | 120.0° |
| C24 | C23 | C25 | H30 | 180.0° | 60.0° |
| C24 | C23 | C25 | H31 | 60.0° | 180.0° |
| C24 | C23 | C25 | H32 | 60.0° | 60.0° |
| C10 | C11 | C12 | H23 | 119.5° | 118.4° |
| C10 | C11 | C12 | H24 | 119.5° | 118.4° |
| C11 | C10 | N09 | H1 | 119.5° | 119.4° |
| C11 | C10 | N09 | H2 | 119.5° | 119.6° |
| C10 | C11 | C12 | C13 | 2.4° | 35.7° |
| C11 | C10 | N09 | C13 | 38.5° | 1.0° |
| C11 | C10 | N09 | C08 | 161.2° | 123.2° |
| C11 | C10 | H1 | H2 | 121.5° | 121.2° |
| C10 | C11 | H23 | H24 | 121.5° | 123.2° |
| C10 | C11 | C12 | H25 | 121.6° | 82.4° |
| C10 | C11 | C12 | H26 | 116.9° | 153.7° |
| C12 | C11 | C10 | N09 | 18.4° | 22.3° |
| C11 | C12 | C13 | H25 | 119.3° | 118.1° |
| C11 | C12 | C13 | H26 | 119.2° | 118.0° |
| C11 | C12 | C13 | N09 | 27.7° | 37.1° |
| C12 | C11 | C10 | H1 | 137.9° | 97.1° |
| C12 | C11 | C10 | H2 | 101.0° | 141.8° |
| C11 | C12 | C13 | H3 | 91.4° | 81.7° |
| C11 | C12 | C13 | H4 | 146.8° | 156.0° |
| C12 | C11 | H23 | H24 | 121.6° | 123.2° |
| C11 | C12 | H25 | H26 | 122.2° | 123.9° |
| N22 | C23 | C25 | H29 | 120.0° | 119.9° |
| C23 | N22 | C26 | C21 | 128.7° | 124.1° |
| C23 | N22 | C26 | C27 | 176.9° | 174.1° |
| C23 | N22 | C21 | C20 | 174.0° | 174.1° |
| C23 | N22 | C21 | H7 | 53.8° | 65.8° |
| C23 | N22 | C21 | H8 | 65.8° | 54.1° |
| N22 | C23 | C24 | H9 | 180.0° | 60.1° |
| N22 | C23 | C24 | H10 | 60.0° | 180.0° |
| N22 | C23 | C24 | H11 | 60.0° | 60.0° |
| C23 | N22 | C26 | H12 | 62.7° | 54.2° |
| C23 | N22 | C26 | H13 | 56.6° | 65.9° |
| N22 | C23 | C25 | H30 | 54.6° | 60.0° |
| N22 | C23 | C25 | H31 | 174.5° | 59.9° |
| N22 | C23 | C25 | H32 | 65.5° | 180.0° |
| C25 | C23 | N22 | C26 | 49.3° | 60.0° |
| C25 | C23 | N22 | C21 | 80.0° | 175.8° |
| C25 | C23 | C24 | H9 | 52.9° | 60.0° |
| C25 | C23 | C24 | H10 | 172.9° | 59.9° |
| C25 | C23 | C24 | H11 | 67.1° | 180.0° |
| C23 | C25 | H30 | H31 | 120.0° | 120.0° |
| C23 | C25 | H30 | H32 | 120.0° | 120.0° |
| C23 | C25 | H31 | H32 | 120.0° | 120.0° |
| C10 | N09 | C13 | C12 | 37.2° | 24.1° |
| C10 | N09 | C13 | C08 | 119.7° | 122.3° |
| C10 | N09 | C08 | C07 | 175.5° | 170.0° |
| N09 | C10 | H1 | H2 | 121.5° | 121.0° |
| C10 | N09 | C13 | H3 | 81.9° | 94.7° |
| C10 | N09 | C13 | H4 | 156.3° | 143.0° |
| C10 | N09 | C08 | H21 | 55.2° | 70.0° |
| C10 | N09 | C08 | H22 | 64.1° | 50.0° |
| N09 | C10 | C11 | H23 | 137.9° | 96.1° |
| N09 | C10 | C11 | H24 | 101.0° | 140.7° |
| N22 | C26 | C27 | H12 | 120.3° | 120.0° |
| N22 | C26 | C27 | H13 | 120.3° | 120.0° |
| C26 | N22 | C21 | C20 | 56.2° | 61.7° |
| N22 | C26 | C27 | C19 | 49.6° | 59.2° |
| C26 | N22 | C21 | H7 | 176.4° | 58.3° |
| C26 | N22 | C21 | H8 | 64.0° | 178.2° |
| N22 | C26 | H12 | H13 | 119.0° | 120.0° |
| C26 | N22 | C23 | H29 | 166.8° | 60.0° |
| N22 | C26 | C27 | H33 | 170.1° | 179.1° |
| N22 | C26 | C27 | H34 | 70.9° | 60.8° |
| C21 | N22 | C26 | C27 | 54.3° | 61.7° |
| N22 | C21 | C20 | H7 | 120.2° | 120.0° |
| N22 | C21 | C20 | H8 | 120.2° | 120.0° |
| N22 | C21 | C20 | C19 | 53.5° | 59.2° |
| N22 | C21 | C20 | H5 | 66.9° | 60.8° |
| N22 | C21 | C20 | H6 | 173.9° | 179.1° |
| N22 | C21 | H7 | H8 | 119.4° | 119.9° |
| C21 | N22 | C26 | H12 | 66.0° | 178.3° |
| C21 | N22 | C26 | H13 | 174.7° | 58.3° |
| C21 | N22 | C23 | H29 | 37.5° | 64.2° |
| C01 | O02 | C03 | C38 | 20.5° | 0.0° |
| C01 | O02 | C03 | C04 | 159.6° | 179.8° |
| O02 | C01 | H14 | H15 | 120.0° | 120.0° |
| O02 | C01 | H14 | H16 | 120.0° | 120.0° |
| O02 | C01 | H15 | H16 | 120.0° | 120.0° |
| C12 | C13 | N09 | H3 | 119.1° | 118.8° |
| C12 | C13 | N09 | H4 | 119.1° | 118.9° |
| C12 | C13 | N09 | C08 | 156.9° | 146.4° |
| C12 | C13 | H3 | H4 | 122.7° | 122.2° |
| C13 | C12 | C11 | H23 | 117.1° | 82.7° |
| C13 | C12 | C11 | H24 | 121.8° | 154.0° |
| C13 | C12 | H25 | H26 | 122.2° | 123.8° |
| C26 | C27 | C19 | H33 | 120.5° | 120.0° |
| C26 | C27 | C19 | H34 | 120.5° | 120.0° |
| C26 | C27 | C19 | C20 | 48.4° | 57.7° |
| C26 | C27 | C19 | N18 | 169.0° | 177.6° |
| C27 | C26 | H12 | H13 | 119.0° | 119.9° |
| C26 | C27 | C19 | H28 | 73.5° | 62.3° |
| C26 | C27 | H33 | H34 | 118.4° | 120.1° |
| C21 | C20 | C19 | C27 | 50.3° | 57.7° |
| C21 | C20 | C19 | H5 | 120.4° | 120.0° |
| C21 | C20 | C19 | H6 | 120.4° | 119.9° |
| C21 | C20 | C19 | N18 | 170.8° | 177.6° |
| C21 | C20 | H5 | H6 | 118.8° | 120.1° |
| C20 | C21 | H7 | H8 | 119.4° | 120.0° |
| C21 | C20 | C19 | H28 | 71.6° | 62.3° |
| C27 | C19 | C20 | N18 | 120.5° | 119.9° |
| C27 | C19 | C20 | H28 | 121.9° | 120.0° |
| C27 | C19 | N18 | H28 | 118.1° | 120.1° |
| C27 | C19 | N18 | C17 | 142.6° | 85.3° |
| C27 | C19 | C20 | H5 | 70.2° | 62.3° |
| C27 | C19 | C20 | H6 | 170.7° | 177.6° |
| C19 | C27 | C26 | H12 | 70.7° | 179.2° |
| C19 | C27 | C26 | H13 | 169.9° | 60.8° |
| C19 | C27 | H33 | H34 | 118.4° | 120.1° |
| C27 | C19 | N18 | H37 | 37.4° | 94.7° |
| C20 | C19 | N18 | H28 | 118.1° | 120.1° |
| C20 | C19 | N18 | C17 | 93.6° | 155.0° |
| C19 | C20 | H5 | H6 | 118.7° | 120.1° |
| C19 | C20 | C21 | H7 | 173.7° | 60.8° |
| C19 | C20 | C21 | H8 | 66.7° | 179.2° |
| C20 | C19 | C27 | H33 | 168.9° | 177.6° |
| C20 | C19 | C27 | H34 | 72.1° | 62.3° |
| C20 | C19 | N18 | H37 | 86.4° | 25.0° |
| O02 | C03 | C38 | C04 | 179.9° | 179.8° |
| O02 | C03 | C38 | C16 | 179.9° | 179.9° |
| O02 | C03 | C04 | O05 | 0.1° | 0.5° |
| O02 | C03 | C04 | C14 | 180.0° | 179.7° |
| C03 | O02 | C01 | H14 | 180.0° | 180.0° |
| C03 | O02 | C01 | H15 | 60.0° | 60.0° |
| C03 | O02 | C01 | H16 | 60.0° | 60.0° |
| O02 | C03 | C38 | H49 | 0.1° | 0.2° |
| C13 | N09 | C08 | C07 | 68.1° | 69.1° |
| C13 | N09 | C10 | H1 | 158.0° | 120.4° |
| C13 | N09 | C10 | H2 | 81.0° | 118.6° |
| N09 | C13 | H3 | H4 | 122.7° | 122.4° |
| C13 | N09 | C08 | H21 | 171.6° | 50.9° |
| C13 | N09 | C08 | H22 | 52.3° | 170.9° |
| N09 | C13 | C12 | H25 | 147.0° | 81.1° |
| N09 | C13 | C12 | H26 | 91.5° | 155.1° |
| N09 | C08 | C07 | H21 | 120.4° | 120.0° |
| N09 | C08 | C07 | H22 | 120.4° | 119.9° |
| N09 | C08 | C07 | C06 | 81.2° | 180.0° |
| C08 | N09 | C10 | H1 | 79.3° | 117.3° |
| C08 | N09 | C10 | H2 | 41.7° | 3.7° |
| C08 | N09 | C13 | H3 | 37.9° | 27.6° |
| C08 | N09 | C13 | H4 | 84.0° | 94.7° |
| N09 | C08 | C07 | H19 | 158.2° | 60.0° |
| N09 | C08 | C07 | H20 | 39.4° | 60.0° |
| N09 | C08 | H21 | H22 | 118.9° | 120.0° |
| C19 | N18 | C17 | H37 | 180.0° | 179.9° |
| C19 | N18 | C17 | C16 | 169.3° | 180.0° |
| C19 | N18 | C17 | N28 | 1.5° | 0.0° |
| N18 | C19 | C20 | H5 | 50.3° | 57.6° |
| N18 | C19 | C20 | H6 | 68.8° | 62.5° |
| N18 | C19 | C27 | H33 | 70.5° | 62.5° |
| N18 | C19 | C27 | H34 | 48.5° | 57.6° |
| C08 | C07 | C06 | O05 | 47.8° | 180.0° |
| C08 | C07 | C06 | H19 | 120.6° | 120.0° |
| C08 | C07 | C06 | H20 | 120.6° | 120.0° |
| C08 | C07 | C06 | H17 | 71.8° | 59.9° |
| C08 | C07 | C06 | H18 | 167.5° | 60.0° |
| C08 | C07 | H19 | H20 | 118.1° | 120.0° |
| C07 | C08 | H21 | H22 | 118.8° | 120.0° |
| N18 | C17 | C16 | C38 | 29.6° | 39.8° |
| N18 | C17 | C16 | N28 | 167.3° | 179.9° |
| N18 | C17 | C16 | C15 | 150.2° | 140.4° |
| N18 | C17 | N28 | C29 | 112.1° | 179.2° |
| C17 | N18 | C19 | H28 | 24.5° | 34.9° |
| C03 | C38 | C16 | H49 | 180.0° | 179.9° |
| C38 | C03 | C04 | O05 | 180.0° | 179.7° |
| C38 | C03 | C04 | C14 | 0.1° | 0.2° |
| C03 | C38 | C16 | C17 | 179.9° | 179.4° |
| C03 | C38 | C16 | C15 | 0.1° | 0.4° |
| C04 | C03 | C38 | C16 | 0.0° | 0.0° |
| C03 | C04 | O05 | C14 | 179.9° | 179.8° |
| C03 | C04 | O05 | C06 | 177.9° | 180.0° |
| C03 | C04 | C14 | C15 | 0.2° | 0.0° |
| C03 | C04 | C14 | H27 | 179.8° | 180.0° |
| C04 | C03 | C38 | H49 | 180.0° | 179.9° |
| C38 | C16 | C17 | C15 | 179.8° | 179.8° |
| C38 | C16 | C17 | N28 | 163.1° | 140.2° |
| C38 | C16 | C15 | C14 | 0.0° | 0.6° |
| C38 | C16 | C15 | N37 | 179.6° | 179.0° |
| C04 | O05 | C06 | C07 | 173.7° | 180.0° |
| O05 | C04 | C14 | C15 | 179.9° | 179.9° |
| C04 | O05 | C06 | H17 | 66.6° | 60.0° |
| C04 | O05 | C06 | H18 | 54.1° | 60.0° |
| O05 | C04 | C14 | H27 | 0.1° | 0.2° |
| C06 | O05 | C04 | C14 | 2.2° | 0.1° |
| O05 | C06 | C07 | H17 | 119.6° | 120.1° |
| O05 | C06 | C07 | H18 | 119.6° | 119.9° |
| O05 | C06 | H17 | H18 | 121.1° | 120.0° |
| O05 | C06 | C07 | H19 | 72.8° | 60.0° |
| O05 | C06 | C07 | H20 | 168.4° | 59.9° |
| C04 | C14 | C15 | C16 | 0.2° | 0.5° |
| C04 | C14 | C15 | H27 | 180.0° | 180.0° |
| C04 | C14 | C15 | N37 | 179.8° | 179.2° |
| C17 | C16 | C15 | C14 | 179.8° | 179.1° |
| C17 | C16 | C15 | N37 | 0.2° | 1.2° |
| C16 | C17 | N28 | C29 | 55.4° | 0.8° |
| C17 | C16 | C38 | H49 | 0.1° | 0.6° |
| C16 | C17 | N18 | H37 | 10.7° | 0.1° |
| N28 | C17 | C16 | C15 | 17.1° | 39.5° |
| C17 | N28 | C29 | C30 | 74.2° | 62.8° |
| C17 | N28 | C29 | H35 | 45.8° | 57.0° |
| C17 | N28 | C29 | H36 | 165.9° | 177.5° |
| N28 | C17 | N18 | H37 | 178.5° | 180.0° |
| C16 | C15 | C14 | N37 | 179.6° | 179.7° |
| C16 | C15 | N37 | C30 | 12.9° | 40.9° |
| C16 | C15 | C14 | H27 | 179.8° | 179.6° |
| C15 | C16 | C38 | H49 | 180.0° | 179.6° |
| C07 | C06 | H17 | H18 | 121.1° | 120.0° |
| C06 | C07 | H19 | H20 | 118.1° | 120.0° |
| C06 | C07 | C08 | H21 | 39.2° | 60.0° |
| C06 | C07 | C08 | H22 | 158.5° | 60.0° |
| C14 | C15 | N37 | C30 | 167.5° | 139.4° |
| C15 | N37 | C30 | C29 | 36.5° | 1.6° |
| C15 | N37 | C30 | C31 | 165.2° | 178.4° |
| N37 | C15 | C14 | H27 | 0.2° | 0.7° |
| N28 | C29 | C30 | H35 | 120.0° | 119.8° |
| N28 | C29 | C30 | H36 | 120.0° | 119.8° |
| N28 | C29 | C30 | N37 | 58.6° | 64.9° |
| N28 | C29 | C30 | C31 | 142.1° | 115.1° |
| N28 | C29 | H35 | H36 | 120.1° | 120.5° |
| C29 | C30 | N37 | C31 | 158.3° | 179.9° |
| C29 | C30 | C31 | C32 | 95.0° | 65.0° |
| C29 | C30 | C31 | C36 | 143.6° | 175.0° |
| C30 | C29 | H35 | H36 | 120.0° | 120.3° |
| C29 | C30 | C31 | H38 | 17.6° | 55.0° |
| N37 | C30 | C31 | C32 | 64.3° | 115.1° |
| N37 | C30 | C31 | C36 | 57.1° | 5.0° |
| N37 | C30 | C29 | H35 | 61.4° | 54.9° |
| N37 | C30 | C29 | H36 | 178.5° | 175.2° |
| N37 | C30 | C31 | H38 | 176.9° | 124.9° |
| C30 | C31 | C32 | C36 | 127.9° | 120.0° |
| C30 | C31 | C32 | H38 | 112.2° | 120.0° |
| C30 | C31 | C32 | C33 | 171.2° | 180.0° |
| C30 | C31 | C36 | H38 | 125.8° | 120.0° |
| C30 | C31 | C36 | C35 | 176.7° | 180.0° |
| C31 | C30 | C29 | H35 | 97.9° | 125.0° |
| C31 | C30 | C29 | H36 | 22.2° | 4.7° |
| C30 | C31 | C32 | H39 | 50.8° | 60.0° |
| C30 | C31 | C32 | H40 | 68.4° | 60.0° |
| C30 | C31 | C36 | H47 | 63.1° | 60.0° |
| C30 | C31 | C36 | H48 | 56.4° | 60.0° |
| C31 | C32 | C33 | H39 | 120.4° | 120.0° |
| C31 | C32 | C33 | H40 | 120.4° | 120.0° |
| C32 | C31 | C36 | H38 | 120.0° | 120.0° |
| C31 | C32 | C33 | C34 | 14.7° | 60.0° |
| C32 | C31 | C36 | C35 | 62.4° | 60.0° |
| C31 | C32 | H39 | H40 | 118.9° | 120.1° |
| C31 | C32 | C33 | H41 | 105.8° | 180.0° |
| C31 | C32 | C33 | H42 | 135.1° | 60.0° |
| C32 | C31 | C36 | H47 | 177.4° | 180.0° |
| C32 | C31 | C36 | H48 | 57.9° | 60.0° |
| C33 | C32 | C31 | C36 | 43.3° | 60.0° |
| C32 | C33 | C34 | H41 | 120.5° | 120.0° |
| C32 | C33 | C34 | H42 | 120.5° | 120.1° |
| C32 | C33 | C34 | C35 | 57.2° | 60.0° |
| C33 | C32 | C31 | H38 | 76.6° | 60.0° |
| C33 | C32 | H39 | H40 | 118.9° | 120.0° |
| C32 | C33 | H41 | H42 | 118.6° | 120.0° |
| C32 | C33 | C34 | H43 | 177.8° | 60.0° |
| C32 | C33 | C34 | H44 | 63.3° | 180.0° |
| C31 | C36 | C35 | H47 | 120.2° | 120.0° |
| C31 | C36 | C35 | H48 | 120.2° | 120.0° |
| C31 | C36 | C35 | C34 | 19.4° | 60.0° |
| C36 | C31 | C32 | H39 | 77.0° | 60.0° |
| C36 | C31 | C32 | H40 | 163.7° | 180.0° |
| C31 | C36 | C35 | H45 | 101.0° | 180.0° |
| C31 | C36 | C35 | H46 | 139.9° | 60.0° |
| C31 | C36 | H47 | H48 | 119.2° | 120.0° |
| C33 | C34 | C35 | C36 | 38.2° | 60.0° |
| C33 | C34 | C35 | H43 | 120.5° | 120.0° |
| C33 | C34 | C35 | H44 | 120.5° | 120.0° |
| C34 | C33 | C32 | H39 | 135.0° | 60.0° |
| C34 | C33 | C32 | H40 | 105.7° | 179.9° |
| C34 | C33 | H41 | H42 | 118.6° | 120.0° |
| C33 | C34 | H43 | H44 | 118.4° | 120.0° |
| C33 | C34 | C35 | H45 | 158.6° | 180.0° |
| C33 | C34 | C35 | H46 | 82.3° | 60.0° |
| C36 | C35 | C34 | H45 | 120.5° | 120.0° |
| C36 | C35 | C34 | H46 | 120.5° | 120.0° |
| C35 | C36 | C31 | H38 | 57.6° | 60.0° |
| C36 | C35 | C34 | H43 | 158.7° | 60.0° |
| C36 | C35 | C34 | H44 | 82.4° | 180.0° |
| C36 | C35 | H45 | H46 | 118.5° | 120.0° |
| C35 | C36 | H47 | H48 | 119.2° | 120.0° |
| C35 | C34 | C33 | H41 | 63.2° | 180.0° |
| C35 | C34 | C33 | H42 | 177.7° | 60.1° |
| C35 | C34 | H43 | H44 | 118.4° | 120.0° |
| C34 | C35 | H45 | H46 | 118.6° | 120.0° |
| C34 | C35 | C36 | H47 | 139.7° | 180.0° |
| C34 | C35 | C36 | H48 | 100.8° | 60.0° |
| H1 | C10 | C11 | H23 | 102.6° | 144.5° |
| H1 | C10 | C11 | H24 | 18.5° | 21.2° |
| H2 | C10 | C11 | H23 | 18.4° | 23.5° |
| H2 | C10 | C11 | H24 | 139.5° | 99.8° |
| H3 | C13 | C12 | H25 | 27.9° | 160.1° |
| H3 | C13 | C12 | H26 | 149.4° | 36.3° |
| H4 | C13 | C12 | H25 | 94.0° | 37.9° |
| H4 | C13 | C12 | H26 | 27.5° | 85.9° |
| H5 | C20 | C21 | H7 | 53.3° | 179.2° |
| H5 | C20 | C21 | H8 | 172.9° | 59.2° |
| H5 | C20 | C19 | H28 | 168.0° | 177.7° |
| H6 | C20 | C21 | H7 | 65.9° | 59.1° |
| H6 | C20 | C21 | H8 | 53.7° | 60.9° |
| H6 | C20 | C19 | H28 | 48.8° | 57.6° |
| H9 | C24 | H10 | H11 | 120.0° | 120.1° |
| H9 | C24 | C23 | H29 | 61.7° | 180.0° |
| H10 | C24 | C23 | H29 | 58.3° | 60.1° |
| H11 | C24 | C23 | H29 | 178.3° | 60.0° |
| H12 | C26 | C27 | H33 | 49.8° | 60.9° |
| H12 | C26 | C27 | H34 | 168.8° | 59.3° |
| H13 | C26 | C27 | H33 | 69.6° | 59.1° |
| H13 | C26 | C27 | H34 | 49.4° | 179.2° |
| H14 | C01 | H15 | H16 | 120.0° | 120.0° |
| H17 | C06 | C07 | H19 | 167.6° | 60.1° |
| H17 | C06 | C07 | H20 | 48.8° | 180.0° |
| H18 | C06 | C07 | H19 | 46.9° | 180.0° |
| H18 | C06 | C07 | H20 | 71.9° | 60.0° |
| H19 | C07 | C08 | H21 | 81.4° | 180.0° |
| H19 | C07 | C08 | H22 | 37.9° | 60.0° |
| H20 | C07 | C08 | H21 | 159.8° | 60.1° |
| H20 | C07 | C08 | H22 | 80.9° | 179.9° |
| H23 | C11 | C12 | H25 | 2.2° | 159.2° |
| H23 | C11 | C12 | H26 | 123.7° | 35.3° |
| H24 | C11 | C12 | H25 | 118.9° | 35.9° |
| H24 | C11 | C12 | H26 | 2.6° | 87.9° |
| H28 | C19 | C27 | H33 | 47.0° | 57.6° |
| H28 | C19 | C27 | H34 | 166.0° | 177.7° |
| H28 | C19 | N18 | H37 | 155.5° | 145.2° |
| H29 | C23 | C25 | H30 | 65.4° | 180.0° |
| H29 | C23 | C25 | H31 | 54.5° | 60.0° |
| H29 | C23 | C25 | H32 | 174.5° | 60.1° |
| H30 | C25 | H31 | H32 | 120.0° | 120.0° |
| H38 | C31 | C32 | H39 | 163.0° | 180.0° |
| H38 | C31 | C32 | H40 | 43.8° | 60.0° |
| H38 | C31 | C36 | H47 | 62.7° | 60.0° |
| H38 | C31 | C36 | H48 | 177.8° | 180.0° |
| H39 | C32 | C33 | H41 | 14.5° | 60.0° |
| H39 | C32 | C33 | H42 | 104.5° | 180.0° |
| H40 | C32 | C33 | H41 | 133.8° | 60.0° |
| H40 | C32 | C33 | H42 | 14.7° | 60.0° |
| H41 | C33 | C34 | H43 | 57.3° | 60.0° |
| H41 | C33 | C34 | H44 | 176.2° | 60.0° |
| H42 | C33 | C34 | H43 | 61.8° | 179.9° |
| H42 | C33 | C34 | H44 | 57.2° | 59.9° |
| H43 | C34 | C35 | H45 | 80.9° | 60.0° |
| H43 | C34 | C35 | H46 | 38.2° | 180.0° |
| H44 | C34 | C35 | H45 | 38.1° | 60.0° |
| H44 | C34 | C35 | H46 | 157.1° | 60.0° |
| H45 | C35 | C36 | H47 | 19.2° | 60.0° |
| H45 | C35 | C36 | H48 | 138.7° | 60.0° |
| H46 | C35 | C36 | H47 | 99.8° | 60.0° |
| H46 | C35 | C36 | H48 | 19.7° | 180.0° |
