LLJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | C3 | sing | 1.36Å | 1.40Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| N1 | C11 | sing | 1.47Å | 1.49Å | |
| N1 | C22 | sing | 1.47Å | 1.50Å | |
| N1 | HN1 | sing | 1.01Å | 1.00Å | |
| N1 | HN1A | sing | 1.01Å | 1.00Å | |
| O1 | C23 | sing | 1.43Å | 1.45Å | |
| O1 | C24 | sing | 1.43Å | 1.44Å | |
| C2 | C6 | sing | 1.36Å | 1.40Å | Aromatic |
| C2 | C26 | sing | 1.51Å | 1.51Å | |
| N2 | C25 | sing | 1.47Å | 1.50Å | |
| N2 | C26 | sing | 1.47Å | 1.49Å | |
| N2 | H3N2 | sing | 1.01Å | 1.00Å | |
| N2 | H4N2 | sing | 1.01Å | 1.00Å | |
| O2 | C29 | sing | 1.43Å | 1.44Å | |
| O2 | C30 | sing | 1.43Å | 1.44Å | |
| C3 | C4 | doub | 1.41Å | 1.40Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| N3 | C27 | sing | 1.47Å | 1.50Å | |
| N3 | C28 | sing | 1.47Å | 1.50Å | |
| N3 | HN3 | sing | 1.01Å | 1.00Å | |
| N3 | HN3A | sing | 1.01Å | 1.00Å | |
| C4 | C5 | sing | 1.42Å | 1.42Å | Aromatic |
| C4 | C7 | sing | 1.40Å | 1.40Å | Aromatic |
| N4 | C31 | sing | 1.47Å | 1.50Å | |
| N4 | C32 | sing | 1.47Å | 1.50Å | |
| N4 | HN4 | sing | 1.01Å | 1.00Å | |
| N4 | HN4A | sing | 1.01Å | 1.00Å | |
| C5 | C6 | doub | 1.41Å | 1.39Å | Aromatic |
| C5 | C10 | sing | 1.41Å | 1.40Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | C8 | doub | 1.36Å | 1.37Å | Aromatic |
| C7 | H17 | sing | 1.08Å | 1.08Å | |
| C8 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | H18 | sing | 1.08Å | 1.08Å | |
| C9 | C10 | doub | 1.36Å | 1.39Å | Aromatic |
| C9 | C32 | sing | 1.51Å | 1.53Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | C20 | sing | 1.51Å | 1.50Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H211 | sing | 1.09Å | 1.10Å | |
| C12 | C13 | doub | 1.36Å | 1.39Å | Aromatic |
| C12 | C17 | sing | 1.41Å | 1.39Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| C13 | C27 | sing | 1.51Å | 1.51Å | |
| C14 | C15 | doub | 1.36Å | 1.41Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | C16 | sing | 1.41Å | 1.40Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | C17 | doub | 1.42Å | 1.41Å | Aromatic |
| C16 | C18 | sing | 1.41Å | 1.40Å | Aromatic |
| C17 | C21 | sing | 1.40Å | 1.39Å | Aromatic |
| C18 | C19 | doub | 1.36Å | 1.40Å | Aromatic |
| C18 | H18A | sing | 1.08Å | 1.08Å | |
| C19 | C20 | sing | 1.39Å | 1.39Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | C21 | doub | 1.36Å | 1.39Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C22 | H122 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C23 | H123 | sing | 1.09Å | 1.10Å | |
| C23 | H223 | sing | 1.09Å | 1.10Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C24 | H124 | sing | 1.09Å | 1.10Å | |
| C24 | H224 | sing | 1.09Å | 1.10Å | |
| C25 | H125 | sing | 1.09Å | 1.10Å | |
| C25 | H225 | sing | 1.09Å | 1.10Å | |
| C26 | H126 | sing | 1.09Å | 1.10Å | |
| C26 | H226 | sing | 1.09Å | 1.10Å | |
| C27 | H127 | sing | 1.09Å | 1.10Å | |
| C27 | H227 | sing | 1.09Å | 1.10Å | |
| C28 | C29 | sing | 1.53Å | 1.54Å | |
| C28 | H128 | sing | 1.09Å | 1.10Å | |
| C28 | H228 | sing | 1.09Å | 1.10Å | |
| C29 | H129 | sing | 1.09Å | 1.10Å | |
| C29 | H229 | sing | 1.09Å | 1.10Å | |
| C30 | C31 | sing | 1.53Å | 1.54Å | |
| C30 | H130 | sing | 1.09Å | 1.10Å | |
| C30 | H230 | sing | 1.09Å | 1.10Å | |
| C31 | H131 | sing | 1.09Å | 1.10Å | |
| C31 | H231 | sing | 1.09Å | 1.10Å | |
| C32 | H132 | sing | 1.09Å | 1.10Å | |
| C32 | H232 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C3 | 120.4° | 121.0° |
| C2 | C1 | H1 | 119.8° | 119.4° |
| C1 | C2 | C6 | 120.2° | 121.0° |
| C1 | C2 | C26 | 119.0° | 119.7° |
| C3 | C1 | H1 | 119.8° | 119.5° |
| C1 | C3 | C4 | 119.9° | 119.7° |
| C1 | C3 | H3 | 120.1° | 120.2° |
| C11 | N1 | C22 | 110.6° | 109.6° |
| C11 | N1 | HN1 | 109.2° | 109.5° |
| C11 | N1 | HN1A | 109.2° | 109.4° |
| N1 | C11 | C20 | 110.3° | 109.3° |
| N1 | C11 | H111 | 109.2° | 109.5° |
| N1 | C11 | H211 | 109.3° | 109.5° |
| C22 | N1 | HN1 | 109.2° | 109.4° |
| C22 | N1 | HN1A | 109.2° | 109.4° |
| N1 | C22 | C23 | 109.1° | 109.4° |
| N1 | C22 | H122 | 109.6° | 109.5° |
| N1 | C22 | H222 | 109.6° | 109.5° |
| HN1 | N1 | HN1A | 109.5° | 109.4° |
| C23 | O1 | C24 | 114.5° | 113.9° |
| O1 | C23 | C22 | 108.5° | 109.6° |
| O1 | C23 | H123 | 109.7° | 109.5° |
| O1 | C23 | H223 | 109.7° | 109.5° |
| O1 | C24 | C25 | 108.3° | 109.6° |
| O1 | C24 | H124 | 109.8° | 109.5° |
| O1 | C24 | H224 | 109.8° | 109.5° |
| C6 | C2 | C26 | 120.5° | 119.4° |
| C2 | C6 | C5 | 119.1° | 119.6° |
| C2 | C6 | H6 | 120.5° | 120.2° |
| C2 | C26 | N2 | 112.7° | 109.4° |
| C2 | C26 | H126 | 108.7° | 109.5° |
| C2 | C26 | H226 | 108.7° | 109.5° |
| C25 | N2 | C26 | 110.5° | 109.6° |
| C25 | N2 | H3N2 | 109.2° | 109.4° |
| C25 | N2 | H4N2 | 109.2° | 109.4° |
| N2 | C25 | C24 | 110.1° | 109.5° |
| N2 | C25 | H125 | 109.3° | 109.4° |
| N2 | C25 | H225 | 109.3° | 109.5° |
| C26 | N2 | H3N2 | 109.2° | 109.5° |
| C26 | N2 | H4N2 | 109.2° | 109.5° |
| N2 | C26 | H126 | 108.6° | 109.5° |
| N2 | C26 | H226 | 108.7° | 109.5° |
| H3N2 | N2 | H4N2 | 109.5° | 109.5° |
| C29 | O2 | C30 | 114.6° | 113.9° |
| O2 | C29 | C28 | 107.8° | 109.6° |
| O2 | C29 | H129 | 109.9° | 109.5° |
| O2 | C29 | H229 | 109.9° | 109.5° |
| O2 | C30 | C31 | 108.3° | 109.6° |
| O2 | C30 | H130 | 109.8° | 109.4° |
| O2 | C30 | H230 | 109.8° | 109.4° |
| C4 | C3 | H3 | 120.1° | 120.2° |
| C3 | C4 | C5 | 118.9° | 119.3° |
| C3 | C4 | C7 | 121.3° | 121.3° |
| C27 | N3 | C28 | 110.5° | 109.6° |
| C27 | N3 | HN3 | 109.2° | 109.5° |
| C27 | N3 | HN3A | 109.2° | 109.5° |
| N3 | C27 | C13 | 112.7° | 109.4° |
| N3 | C27 | H127 | 108.7° | 109.4° |
| N3 | C27 | H227 | 108.6° | 109.5° |
| C28 | N3 | HN3 | 109.2° | 109.5° |
| C28 | N3 | HN3A | 109.2° | 109.5° |
| N3 | C28 | C29 | 110.0° | 109.4° |
| N3 | C28 | H128 | 109.3° | 109.5° |
| N3 | C28 | H228 | 109.3° | 109.4° |
| HN3 | N3 | HN3A | 109.5° | 109.4° |
| C5 | C4 | C7 | 119.4° | 119.3° |
| C4 | C5 | C6 | 120.7° | 119.4° |
| C4 | C5 | C10 | 121.7° | 119.4° |
| C4 | C7 | C8 | 116.2° | 119.6° |
| C4 | C7 | H17 | 121.9° | 120.2° |
| C31 | N4 | C32 | 113.6° | 109.6° |
| C31 | N4 | HN4 | 108.4° | 109.5° |
| C31 | N4 | HN4A | 108.4° | 109.4° |
| N4 | C31 | C30 | 109.1° | 109.5° |
| N4 | C31 | H131 | 109.6° | 109.5° |
| N4 | C31 | H231 | 109.6° | 109.5° |
| C32 | N4 | HN4 | 108.5° | 109.5° |
| C32 | N4 | HN4A | 108.4° | 109.4° |
| N4 | C32 | C9 | 113.8° | 109.3° |
| N4 | C32 | H132 | 108.4° | 109.5° |
| N4 | C32 | H232 | 108.4° | 109.6° |
| HN4 | N4 | HN4A | 109.5° | 109.4° |
| C6 | C5 | C10 | 117.2° | 121.2° |
| C5 | C6 | H6 | 120.5° | 120.2° |
| C5 | C10 | C9 | 118.8° | 119.6° |
| C5 | C10 | H10 | 120.6° | 120.1° |
| C8 | C7 | H17 | 121.9° | 120.1° |
| C7 | C8 | C9 | 126.0° | 121.0° |
| C7 | C8 | H18 | 117.0° | 119.5° |
| C9 | C8 | H18 | 117.0° | 119.4° |
| C8 | C9 | C10 | 117.6° | 120.9° |
| C8 | C9 | C32 | 120.9° | 119.7° |
| C10 | C9 | C32 | 120.9° | 119.3° |
| C9 | C10 | H10 | 120.6° | 120.2° |
| C9 | C32 | H132 | 108.4° | 109.4° |
| C9 | C32 | H232 | 108.4° | 109.5° |
| C20 | C11 | H111 | 109.3° | 109.5° |
| C20 | C11 | H211 | 109.3° | 109.5° |
| C11 | C20 | C19 | 120.1° | 119.7° |
| C11 | C20 | C21 | 119.1° | 119.3° |
| H111 | C11 | H211 | 109.5° | 109.5° |
| C13 | C12 | C17 | 120.0° | 119.7° |
| C13 | C12 | H12 | 120.0° | 120.2° |
| C12 | C13 | C14 | 119.7° | 120.9° |
| C12 | C13 | C27 | 119.5° | 119.4° |
| C17 | C12 | H12 | 120.0° | 120.2° |
| C12 | C17 | C16 | 120.2° | 119.4° |
| C12 | C17 | C21 | 119.4° | 121.2° |
| C14 | C13 | C27 | 120.6° | 119.7° |
| C13 | C14 | C15 | 120.9° | 121.0° |
| C13 | C14 | H14 | 119.5° | 119.5° |
| C13 | C27 | H127 | 108.7° | 109.5° |
| C13 | C27 | H227 | 108.7° | 109.5° |
| C15 | C14 | H14 | 119.6° | 119.5° |
| C14 | C15 | C16 | 118.8° | 119.6° |
| C14 | C15 | H15 | 120.6° | 120.1° |
| C16 | C15 | H15 | 120.6° | 120.2° |
| C15 | C16 | C17 | 120.2° | 119.4° |
| C15 | C16 | C18 | 119.6° | 121.3° |
| C17 | C16 | C18 | 120.2° | 119.3° |
| C16 | C17 | C21 | 120.4° | 119.4° |
| C16 | C18 | C19 | 118.8° | 119.6° |
| C16 | C18 | H18A | 120.6° | 120.2° |
| C17 | C21 | C20 | 119.1° | 119.6° |
| C17 | C21 | H21 | 120.5° | 120.2° |
| C19 | C18 | H18A | 120.6° | 120.2° |
| C18 | C19 | C20 | 120.9° | 121.0° |
| C18 | C19 | H19 | 119.6° | 119.5° |
| C20 | C19 | H19 | 119.6° | 119.4° |
| C19 | C20 | C21 | 120.7° | 121.0° |
| C20 | C21 | H21 | 120.4° | 120.2° |
| C23 | C22 | H122 | 109.5° | 109.5° |
| C23 | C22 | H222 | 109.6° | 109.5° |
| C22 | C23 | H123 | 109.7° | 109.5° |
| C22 | C23 | H223 | 109.7° | 109.4° |
| H122 | C22 | H222 | 109.5° | 109.5° |
| H123 | C23 | H223 | 109.5° | 109.4° |
| C25 | C24 | H124 | 109.7° | 109.5° |
| C25 | C24 | H224 | 109.8° | 109.5° |
| C24 | C25 | H125 | 109.3° | 109.5° |
| C24 | C25 | H225 | 109.3° | 109.5° |
| H124 | C24 | H224 | 109.5° | 109.4° |
| H125 | C25 | H225 | 109.5° | 109.5° |
| H126 | C26 | H226 | 109.5° | 109.5° |
| H127 | C27 | H227 | 109.5° | 109.5° |
| C29 | C28 | H128 | 109.4° | 109.5° |
| C29 | C28 | H228 | 109.3° | 109.5° |
| C28 | C29 | H129 | 109.9° | 109.4° |
| C28 | C29 | H229 | 109.9° | 109.4° |
| H128 | C28 | H228 | 109.5° | 109.5° |
| H129 | C29 | H229 | 109.5° | 109.5° |
| C31 | C30 | H130 | 109.8° | 109.4° |
| C31 | C30 | H230 | 109.8° | 109.5° |
| C30 | C31 | H131 | 109.5° | 109.5° |
| C30 | C31 | H231 | 109.6° | 109.4° |
| H130 | C30 | H230 | 109.5° | 109.4° |
| H131 | C31 | H231 | 109.5° | 109.5° |
| H132 | C32 | H232 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C3 | H1 | 180.0° | 179.7° |
| C1 | C2 | C6 | C26 | 174.6° | 180.0° |
| C1 | C2 | C26 | N2 | 140.7° | 146.0° |
| C2 | C1 | C3 | C4 | 3.0° | 0.0° |
| C2 | C1 | C3 | H3 | 177.0° | 179.9° |
| C1 | C2 | C6 | C5 | 8.0° | 0.1° |
| C1 | C2 | C6 | H6 | 172.0° | 179.9° |
| C1 | C2 | C26 | H126 | 98.8° | 26.0° |
| C1 | C2 | C26 | H226 | 20.3° | 94.0° |
| C3 | C1 | C2 | C6 | 9.7° | 0.0° |
| C3 | C1 | C2 | C26 | 165.0° | 180.0° |
| C1 | C3 | C4 | H3 | 180.0° | 180.0° |
| C1 | C3 | C4 | C5 | 5.1° | 0.0° |
| C1 | C3 | C4 | C7 | 167.9° | 180.0° |
| H1 | C1 | C2 | C6 | 170.4° | 179.7° |
| H1 | C1 | C2 | C26 | 15.0° | 0.3° |
| H1 | C1 | C3 | C4 | 177.0° | 179.7° |
| H1 | C1 | C3 | H3 | 3.0° | 0.2° |
| C11 | N1 | C22 | HN1 | 120.2° | 120.1° |
| C11 | N1 | C22 | HN1A | 120.2° | 120.0° |
| C11 | N1 | HN1 | HN1A | 119.5° | 119.9° |
| N1 | C11 | C20 | H111 | 120.1° | 120.0° |
| N1 | C11 | C20 | H211 | 120.1° | 119.9° |
| N1 | C11 | H111 | H211 | 119.6° | 120.1° |
| N1 | C11 | C20 | C19 | 105.5° | 149.8° |
| N1 | C11 | C20 | C21 | 70.5° | 30.2° |
| C11 | N1 | C22 | C23 | 164.3° | 156.7° |
| C11 | N1 | C22 | H122 | 44.4° | 83.3° |
| C11 | N1 | C22 | H222 | 75.8° | 36.7° |
| C22 | N1 | HN1 | HN1A | 119.5° | 119.9° |
| N1 | C22 | C23 | O1 | 50.9° | 149.2° |
| C22 | N1 | C11 | C20 | 171.8° | 134.6° |
| C22 | N1 | C11 | H111 | 68.1° | 105.4° |
| C22 | N1 | C11 | H211 | 51.7° | 14.7° |
| N1 | C22 | C23 | H122 | 120.0° | 120.0° |
| N1 | C22 | C23 | H222 | 120.0° | 120.0° |
| N1 | C22 | H122 | H222 | 120.2° | 120.1° |
| N1 | C22 | C23 | H123 | 68.9° | 29.1° |
| N1 | C22 | C23 | H223 | 170.8° | 90.8° |
| HN1 | N1 | C11 | C20 | 68.0° | 105.3° |
| HN1 | N1 | C11 | H111 | 52.1° | 14.6° |
| HN1 | N1 | C11 | H211 | 171.9° | 134.7° |
| HN1 | N1 | C22 | C23 | 75.6° | 36.6° |
| HN1 | N1 | C22 | H122 | 164.5° | 156.6° |
| HN1 | N1 | C22 | H222 | 44.4° | 83.4° |
| HN1A | N1 | C11 | C20 | 51.6° | 14.6° |
| HN1A | N1 | C11 | H111 | 171.8° | 134.5° |
| HN1A | N1 | C11 | H211 | 68.5° | 105.4° |
| HN1A | N1 | C22 | C23 | 44.1° | 83.3° |
| HN1A | N1 | C22 | H122 | 75.8° | 36.7° |
| HN1A | N1 | C22 | H222 | 164.1° | 156.7° |
| O1 | C23 | C22 | H123 | 119.9° | 120.1° |
| O1 | C23 | C22 | H223 | 119.8° | 120.0° |
| O1 | C23 | C22 | H122 | 69.0° | 29.2° |
| O1 | C23 | C22 | H222 | 170.9° | 90.8° |
| O1 | C23 | H123 | H223 | 120.4° | 119.9° |
| C23 | O1 | C24 | C25 | 174.8° | 157.4° |
| C23 | O1 | C24 | H124 | 55.0° | 82.6° |
| C23 | O1 | C24 | H224 | 65.4° | 37.3° |
| O1 | C24 | C25 | N2 | 65.3° | 144.4° |
| C24 | O1 | C23 | C22 | 170.1° | 165.2° |
| C24 | O1 | C23 | H123 | 70.1° | 74.7° |
| C24 | O1 | C23 | H223 | 50.2° | 45.2° |
| O1 | C24 | C25 | H124 | 119.8° | 120.0° |
| O1 | C24 | C25 | H224 | 119.8° | 120.0° |
| O1 | C24 | H124 | H224 | 120.6° | 119.9° |
| O1 | C24 | C25 | H125 | 174.6° | 95.6° |
| O1 | C24 | C25 | H225 | 54.7° | 24.4° |
| C6 | C2 | C26 | N2 | 33.9° | 34.0° |
| C2 | C6 | C5 | C4 | 0.2° | 0.1° |
| C2 | C6 | C5 | H6 | 180.0° | 180.0° |
| C2 | C6 | C5 | C10 | 172.6° | 179.8° |
| C6 | C2 | C26 | H126 | 86.6° | 154.0° |
| C6 | C2 | C26 | H226 | 154.4° | 86.0° |
| C2 | C26 | N2 | C25 | 174.2° | 112.4° |
| C2 | C26 | N2 | H126 | 120.5° | 120.0° |
| C2 | C26 | N2 | H226 | 120.5° | 120.0° |
| C2 | C26 | N2 | H3N2 | 54.0° | 127.6° |
| C2 | C26 | N2 | H4N2 | 65.7° | 7.6° |
| C26 | C2 | C6 | C5 | 166.6° | 179.9° |
| C26 | C2 | C6 | H6 | 13.4° | 0.1° |
| C2 | C26 | H126 | H226 | 118.6° | 120.1° |
| C25 | N2 | C26 | H3N2 | 120.2° | 120.0° |
| C25 | N2 | C26 | H4N2 | 120.2° | 120.0° |
| C25 | N2 | H3N2 | H4N2 | 119.5° | 119.9° |
| N2 | C25 | C24 | H125 | 120.1° | 120.0° |
| N2 | C25 | C24 | H225 | 120.1° | 120.0° |
| N2 | C25 | C24 | H124 | 174.8° | 95.5° |
| N2 | C25 | C24 | H224 | 54.5° | 24.4° |
| N2 | C25 | H125 | H225 | 119.7° | 120.0° |
| C25 | N2 | C26 | H126 | 53.7° | 127.6° |
| C25 | N2 | C26 | H226 | 65.4° | 7.6° |
| C26 | N2 | H3N2 | H4N2 | 119.5° | 120.0° |
| C26 | N2 | C25 | C24 | 169.5° | 150.1° |
| C26 | N2 | C25 | H125 | 49.4° | 30.1° |
| C26 | N2 | C25 | H225 | 70.4° | 89.9° |
| N2 | C26 | H126 | H226 | 118.5° | 120.0° |
| H3N2 | N2 | C25 | C24 | 49.3° | 30.1° |
| H3N2 | N2 | C25 | H125 | 70.8° | 89.9° |
| H3N2 | N2 | C25 | H225 | 169.4° | 150.1° |
| H3N2 | N2 | C26 | H126 | 66.5° | 7.6° |
| H3N2 | N2 | C26 | H226 | 174.5° | 112.3° |
| H4N2 | N2 | C25 | C24 | 70.4° | 89.9° |
| H4N2 | N2 | C25 | H125 | 169.5° | 150.1° |
| H4N2 | N2 | C25 | H225 | 49.7° | 30.1° |
| H4N2 | N2 | C26 | H126 | 173.8° | 112.4° |
| H4N2 | N2 | C26 | H226 | 54.8° | 127.6° |
| O2 | C29 | C28 | N3 | 57.3° | 149.6° |
| O2 | C29 | C28 | H129 | 119.8° | 120.0° |
| O2 | C29 | C28 | H229 | 119.8° | 120.1° |
| O2 | C29 | C28 | H128 | 62.8° | 90.4° |
| O2 | C29 | C28 | H228 | 177.4° | 29.6° |
| O2 | C29 | H129 | H229 | 120.7° | 120.0° |
| C29 | O2 | C30 | C31 | 173.6° | 172.3° |
| C29 | O2 | C30 | H130 | 53.8° | 67.7° |
| C29 | O2 | C30 | H230 | 66.6° | 52.2° |
| O2 | C30 | C31 | N4 | 76.2° | 140.4° |
| C30 | O2 | C29 | C28 | 176.8° | 167.8° |
| C30 | O2 | C29 | H129 | 57.0° | 72.2° |
| C30 | O2 | C29 | H229 | 63.4° | 47.7° |
| O2 | C30 | C31 | H130 | 119.8° | 120.0° |
| O2 | C30 | C31 | H230 | 119.8° | 120.1° |
| O2 | C30 | H130 | H230 | 120.6° | 119.9° |
| O2 | C30 | C31 | H131 | 163.9° | 20.3° |
| O2 | C30 | C31 | H231 | 43.7° | 99.6° |
| C3 | C4 | C5 | C7 | 173.1° | 180.0° |
| C3 | C4 | C5 | C6 | 6.7° | 0.0° |
| C3 | C4 | C5 | C10 | 178.8° | 179.9° |
| C3 | C4 | C7 | C8 | 176.5° | 179.9° |
| C3 | C4 | C7 | H17 | 3.5° | 0.1° |
| H3 | C3 | C4 | C5 | 174.9° | 180.0° |
| H3 | C3 | C4 | C7 | 12.1° | 0.1° |
| C27 | N3 | C28 | HN3 | 120.2° | 120.1° |
| C27 | N3 | C28 | HN3A | 120.2° | 120.1° |
| C27 | N3 | HN3 | HN3A | 119.6° | 119.9° |
| N3 | C27 | C13 | C12 | 128.8° | 36.0° |
| N3 | C27 | C13 | C14 | 55.3° | 144.1° |
| N3 | C27 | C13 | H127 | 120.5° | 120.0° |
| N3 | C27 | C13 | H227 | 120.5° | 120.0° |
| N3 | C27 | H127 | H227 | 118.5° | 120.0° |
| C27 | N3 | C28 | C29 | 165.5° | 151.6° |
| C27 | N3 | C28 | H128 | 45.4° | 31.6° |
| C27 | N3 | C28 | H228 | 74.4° | 88.5° |
| C28 | N3 | HN3 | HN3A | 119.5° | 120.0° |
| C28 | N3 | C27 | C13 | 162.1° | 110.3° |
| C28 | N3 | C27 | H127 | 77.5° | 9.7° |
| C28 | N3 | C27 | H227 | 41.6° | 129.7° |
| N3 | C28 | C29 | H128 | 120.1° | 120.0° |
| N3 | C28 | C29 | H228 | 120.1° | 119.9° |
| N3 | C28 | H128 | H228 | 119.7° | 120.0° |
| N3 | C28 | C29 | H129 | 62.5° | 90.4° |
| N3 | C28 | C29 | H229 | 177.1° | 29.5° |
| HN3 | N3 | C27 | C13 | 77.8° | 9.8° |
| HN3 | N3 | C27 | H127 | 42.7° | 129.8° |
| HN3 | N3 | C27 | H227 | 161.7° | 110.2° |
| HN3 | N3 | C28 | C29 | 74.3° | 88.4° |
| HN3 | N3 | C28 | H128 | 165.6° | 151.6° |
| HN3 | N3 | C28 | H228 | 45.8° | 31.6° |
| HN3A | N3 | C27 | C13 | 41.9° | 129.6° |
| HN3A | N3 | C27 | H127 | 162.4° | 110.4° |
| HN3A | N3 | C27 | H227 | 78.5° | 9.6° |
| HN3A | N3 | C28 | C29 | 45.4° | 31.5° |
| HN3A | N3 | C28 | H128 | 74.7° | 88.5° |
| HN3A | N3 | C28 | H228 | 165.5° | 151.4° |
| C4 | C5 | C6 | C10 | 172.5° | 179.9° |
| C4 | C5 | C6 | H6 | 179.8° | 179.9° |
| C5 | C4 | C7 | C8 | 3.6° | 0.1° |
| C5 | C4 | C7 | H17 | 176.4° | 179.9° |
| C4 | C5 | C10 | C9 | 2.5° | 0.1° |
| C4 | C5 | C10 | H10 | 177.5° | 180.0° |
| C7 | C4 | C5 | C6 | 166.4° | 180.0° |
| C7 | C4 | C5 | C10 | 5.7° | 0.1° |
| C4 | C7 | C8 | H17 | 180.0° | 180.0° |
| C4 | C7 | C8 | C9 | 1.5° | 0.0° |
| C4 | C7 | C8 | H18 | 178.5° | 180.0° |
| C31 | N4 | C32 | HN4 | 120.6° | 120.1° |
| C31 | N4 | C32 | HN4A | 120.6° | 120.0° |
| C31 | N4 | HN4 | HN4A | 118.1° | 119.9° |
| C31 | N4 | C32 | C9 | 178.4° | 133.7° |
| N4 | C31 | C30 | H131 | 119.9° | 120.0° |
| N4 | C31 | C30 | H231 | 120.0° | 120.0° |
| N4 | C31 | C30 | H130 | 164.0° | 20.4° |
| N4 | C31 | C30 | H230 | 43.6° | 99.6° |
| N4 | C31 | H131 | H231 | 120.2° | 120.0° |
| C31 | N4 | C32 | H132 | 61.0° | 106.4° |
| C31 | N4 | C32 | H232 | 57.7° | 13.8° |
| C32 | N4 | HN4 | HN4A | 118.1° | 119.9° |
| N4 | C32 | C9 | C8 | 9.3° | 151.5° |
| N4 | C32 | C9 | C10 | 161.9° | 28.5° |
| N4 | C32 | C9 | H132 | 120.6° | 119.9° |
| N4 | C32 | C9 | H232 | 120.7° | 120.0° |
| C32 | N4 | C31 | C30 | 162.8° | 149.4° |
| C32 | N4 | C31 | H131 | 77.3° | 90.5° |
| C32 | N4 | C31 | H231 | 42.9° | 29.5° |
| N4 | C32 | H132 | H232 | 118.0° | 120.2° |
| HN4 | N4 | C32 | C9 | 57.8° | 13.7° |
| HN4 | N4 | C31 | C30 | 76.6° | 90.4° |
| HN4 | N4 | C31 | H131 | 43.4° | 29.6° |
| HN4 | N4 | C31 | H231 | 163.5° | 149.6° |
| HN4 | N4 | C32 | H132 | 178.4° | 133.5° |
| HN4 | N4 | C32 | H232 | 62.9° | 106.3° |
| HN4A | N4 | C32 | C9 | 61.0° | 106.2° |
| HN4A | N4 | C31 | C30 | 42.2° | 29.4° |
| HN4A | N4 | C31 | H131 | 162.1° | 149.5° |
| HN4A | N4 | C31 | H231 | 77.7° | 90.5° |
| HN4A | N4 | C32 | H132 | 59.6° | 13.6° |
| HN4A | N4 | C32 | H232 | 178.3° | 133.8° |
| C6 | C5 | C10 | C9 | 169.9° | 179.9° |
| C6 | C5 | C10 | H10 | 10.1° | 0.1° |
| C10 | C5 | C6 | H6 | 7.4° | 0.2° |
| C5 | C10 | C9 | C8 | 2.5° | 0.0° |
| C5 | C10 | C9 | H10 | 180.0° | 179.9° |
| C5 | C10 | C9 | C32 | 174.0° | 180.0° |
| C7 | C8 | C9 | H18 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 4.7° | 0.1° |
| C7 | C8 | C9 | C32 | 176.2° | 179.9° |
| H17 | C7 | C8 | C9 | 178.5° | 180.0° |
| H17 | C7 | C8 | H18 | 1.6° | 0.0° |
| C8 | C9 | C10 | C32 | 171.5° | 180.0° |
| C8 | C9 | C10 | H10 | 177.5° | 179.9° |
| C8 | C9 | C32 | H132 | 130.0° | 31.6° |
| C8 | C9 | C32 | H232 | 111.4° | 88.5° |
| H18 | C8 | C9 | C10 | 175.3° | 179.9° |
| H18 | C8 | C9 | C32 | 3.8° | 0.1° |
| C10 | C9 | C32 | H132 | 41.3° | 148.4° |
| C10 | C9 | C32 | H232 | 77.4° | 91.5° |
| C32 | C9 | C10 | H10 | 6.0° | 0.1° |
| C9 | C32 | H132 | H232 | 118.0° | 120.1° |
| C20 | C11 | H111 | H211 | 119.6° | 120.1° |
| C11 | C20 | C21 | C17 | 177.0° | 179.9° |
| C11 | C20 | C19 | C18 | 176.3° | 179.9° |
| C11 | C20 | C19 | C21 | 176.0° | 180.0° |
| C11 | C20 | C19 | H19 | 3.6° | 0.1° |
| C11 | C20 | C21 | H21 | 3.0° | 0.1° |
| H111 | C11 | C20 | C19 | 134.4° | 29.8° |
| H111 | C11 | C20 | C21 | 49.6° | 150.2° |
| H211 | C11 | C20 | C19 | 14.6° | 90.3° |
| H211 | C11 | C20 | C21 | 169.3° | 89.7° |
| C13 | C12 | C17 | H12 | 180.0° | 179.9° |
| C12 | C13 | C14 | C27 | 175.9° | 179.9° |
| C12 | C13 | C14 | C15 | 4.7° | 0.1° |
| C12 | C13 | C14 | H14 | 175.3° | 179.9° |
| C13 | C12 | C17 | C16 | 1.5° | 0.1° |
| C13 | C12 | C17 | C21 | 178.9° | 179.9° |
| C12 | C13 | C27 | H127 | 110.7° | 84.0° |
| C12 | C13 | C27 | H227 | 8.3° | 156.0° |
| C17 | C12 | C13 | C14 | 1.9° | 0.1° |
| C17 | C12 | C13 | C27 | 174.0° | 180.0° |
| C12 | C17 | C16 | C15 | 2.2° | 0.1° |
| C12 | C17 | C16 | C21 | 177.4° | 180.0° |
| C12 | C17 | C16 | C18 | 176.1° | 180.0° |
| C12 | C17 | C21 | C20 | 176.0° | 179.9° |
| C12 | C17 | C21 | H21 | 4.0° | 0.0° |
| H12 | C12 | C13 | C14 | 178.1° | 180.0° |
| H12 | C12 | C13 | C27 | 6.0° | 0.1° |
| H12 | C12 | C17 | C16 | 178.5° | 180.0° |
| H12 | C12 | C17 | C21 | 1.1° | 0.0° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 4.0° | 0.0° |
| C13 | C14 | C15 | H15 | 176.0° | 180.0° |
| C14 | C13 | C27 | H127 | 65.1° | 95.9° |
| C14 | C13 | C27 | H227 | 175.8° | 24.1° |
| C27 | C13 | C14 | C15 | 171.2° | 180.0° |
| C27 | C13 | C14 | H14 | 8.9° | 0.0° |
| C13 | C27 | H127 | H227 | 118.6° | 120.0° |
| C14 | C15 | C16 | H15 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 0.5° | 0.0° |
| C14 | C15 | C16 | C18 | 178.8° | 179.9° |
| H14 | C14 | C15 | C16 | 176.0° | 180.0° |
| H14 | C14 | C15 | H15 | 4.0° | 0.0° |
| C15 | C16 | C17 | C18 | 178.3° | 179.9° |
| C15 | C16 | C17 | C21 | 179.6° | 179.9° |
| C15 | C16 | C18 | C19 | 179.0° | 179.8° |
| C15 | C16 | C18 | H18A | 1.0° | 0.2° |
| H15 | C15 | C16 | C17 | 179.5° | 180.0° |
| H15 | C15 | C16 | C18 | 1.2° | 0.2° |
| C17 | C16 | C18 | C19 | 0.7° | 0.1° |
| C17 | C16 | C18 | H18A | 179.3° | 179.9° |
| C16 | C17 | C21 | C20 | 1.4° | 0.1° |
| C16 | C17 | C21 | H21 | 178.6° | 180.0° |
| C18 | C16 | C17 | C21 | 1.3° | 0.1° |
| C16 | C18 | C19 | H18A | 180.0° | 180.0° |
| C16 | C18 | C19 | C20 | 0.2° | 0.1° |
| C16 | C18 | C19 | H19 | 179.8° | 180.0° |
| C17 | C21 | C20 | C19 | 0.9° | 0.1° |
| C17 | C21 | C20 | H21 | 180.0° | 179.9° |
| C18 | C19 | C20 | H19 | 180.0° | 179.9° |
| C18 | C19 | C20 | C21 | 0.3° | 0.0° |
| H18A | C18 | C19 | C20 | 179.8° | 179.9° |
| H18A | C18 | C19 | H19 | 0.2° | 0.0° |
| C19 | C20 | C21 | H21 | 179.1° | 180.0° |
| H19 | C19 | C20 | C21 | 179.7° | 179.9° |
| C23 | C22 | H122 | H222 | 120.2° | 120.0° |
| C22 | C23 | H123 | H223 | 120.5° | 119.9° |
| H122 | C22 | C23 | H123 | 171.1° | 90.9° |
| H122 | C22 | C23 | H223 | 50.8° | 149.2° |
| H222 | C22 | C23 | H123 | 51.0° | 149.1° |
| H222 | C22 | C23 | H223 | 69.3° | 29.2° |
| C25 | C24 | H124 | H224 | 120.5° | 120.0° |
| C24 | C25 | H125 | H225 | 119.7° | 120.0° |
| H124 | C24 | C25 | H125 | 54.7° | 24.4° |
| H124 | C24 | C25 | H225 | 65.1° | 144.4° |
| H224 | C24 | C25 | H125 | 65.6° | 144.3° |
| H224 | C24 | C25 | H225 | 174.6° | 95.7° |
| C29 | C28 | H128 | H228 | 119.8° | 120.0° |
| C28 | C29 | H129 | H229 | 120.8° | 119.9° |
| H128 | C28 | C29 | H129 | 177.4° | 29.6° |
| H128 | C28 | C29 | H229 | 57.0° | 149.5° |
| H228 | C28 | C29 | H129 | 57.6° | 149.6° |
| H228 | C28 | C29 | H229 | 62.9° | 90.4° |
| C31 | C30 | H130 | H230 | 120.5° | 120.0° |
| C30 | C31 | H131 | H231 | 120.2° | 119.9° |
| H130 | C30 | C31 | H131 | 44.0° | 99.6° |
| H130 | C30 | C31 | H231 | 76.1° | 140.4° |
| H230 | C30 | C31 | H131 | 76.3° | 140.4° |
| H230 | C30 | C31 | H231 | 163.6° | 20.5° |
