AA0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | C4 | sing | 1.37Å | 1.39Å | Aromatic |
| C3 | C35 | doub | 1.39Å | 1.38Å | Aromatic |
| C4 | C5 | doub | 1.40Å | 1.39Å | Aromatic |
| C5 | N6 | sing | 1.36Å | 1.42Å | |
| C5 | C33 | sing | 1.41Å | 1.38Å | Aromatic |
| N6 | C20 | doub | 1.30Å | 1.30Å | |
| C9 | N10 | sing | 1.35Å | 1.39Å | |
| C9 | C33 | sing | 1.47Å | 1.48Å | |
| C9 | O39 | doub | 1.22Å | 1.22Å | |
| N10 | C11 | sing | 1.40Å | 1.43Å | |
| N10 | C20 | sing | 1.36Å | 1.38Å | |
| C11 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | C31 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| C13 | N14 | sing | 1.40Å | 1.42Å | |
| C13 | C29 | sing | 1.39Å | 1.38Å | Aromatic |
| N14 | C15 | sing | 1.35Å | 1.39Å | |
| C15 | O16 | doub | 1.22Å | 1.23Å | |
| C15 | C17 | sing | 1.48Å | 1.50Å | |
| C17 | C18 | doub | 1.40Å | 1.38Å | Aromatic |
| C17 | C22 | sing | 1.40Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | N20 | doub | 1.32Å | 1.35Å | Aromatic |
| N20 | C21 | sing | 1.32Å | 1.35Å | Aromatic |
| C21 | C22 | doub | 1.39Å | 1.40Å | Aromatic |
| C21 | N23 | sing | 1.39Å | 1.44Å | |
| N23 | C28 | sing | 1.47Å | 1.46Å | |
| N23 | C24 | sing | 1.47Å | 1.46Å | |
| C28 | C27 | sing | 1.53Å | 1.53Å | |
| C27 | O26 | sing | 1.43Å | 1.44Å | |
| O26 | C25 | sing | 1.43Å | 1.45Å | |
| C25 | C24 | sing | 1.53Å | 1.53Å | |
| C29 | C30 | doub | 1.38Å | 1.38Å | Aromatic |
| C30 | C31 | sing | 1.38Å | 1.39Å | Aromatic |
| C31 | C32 | sing | 1.51Å | 1.50Å | |
| C33 | C34 | doub | 1.39Å | 1.39Å | Aromatic |
| C34 | C35 | sing | 1.38Å | 1.39Å | Aromatic |
| C35 | N31 | sing | 1.40Å | 1.41Å | |
| C37 | C38 | sing | 1.53Å | 1.51Å | |
| C37 | N31 | sing | 1.47Å | 1.47Å | |
| C38 | N39 | sing | 1.47Å | 1.49Å | |
| N39 | C43 | sing | 1.47Å | 1.47Å | |
| N39 | C40 | sing | 1.47Å | 1.49Å | |
| C41 | C40 | sing | 1.53Å | 1.52Å | |
| C41 | N31 | sing | 1.47Å | 1.45Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| N14 | H14 | sing | 0.97Å | 1.00Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C32 | H323 | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C43 | H431 | sing | 1.09Å | 1.10Å | |
| C43 | H432 | sing | 1.09Å | 1.10Å | |
| C43 | H433 | sing | 1.09Å | 1.10Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C40 | H402 | sing | 1.09Å | 1.10Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C41 | H412 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C3 | C35 | 122.7° | 120.9° |
| C3 | C4 | C5 | 119.4° | 119.9° |
| C4 | C3 | H3 | 118.6° | 119.6° |
| C3 | C4 | H4 | 120.3° | 120.0° |
| C3 | C35 | C34 | 117.8° | 120.4° |
| C3 | C35 | N31 | 119.3° | 119.8° |
| C35 | C3 | H3 | 118.7° | 119.5° |
| C4 | C5 | N6 | 119.2° | 121.5° |
| C4 | C5 | C33 | 117.9° | 119.5° |
| C5 | C4 | H4 | 120.3° | 120.1° |
| N6 | C5 | C33 | 122.9° | 119.0° |
| C5 | N6 | C20 | 116.9° | 121.6° |
| C5 | C33 | C9 | 118.1° | 118.0° |
| C5 | C33 | C34 | 122.5° | 120.0° |
| N6 | C20 | N10 | 124.7° | 123.4° |
| N6 | C20 | H20 | 117.6° | 118.3° |
| N10 | C9 | C33 | 115.7° | 117.4° |
| N10 | C9 | O39 | 125.4° | 121.3° |
| C9 | N10 | C11 | 118.1° | 119.7° |
| C9 | N10 | C20 | 121.8° | 120.5° |
| C33 | C9 | O39 | 119.0° | 121.3° |
| C9 | C33 | C34 | 119.4° | 121.9° |
| C11 | N10 | C20 | 119.7° | 119.8° |
| N10 | C11 | C12 | 120.1° | 120.0° |
| N10 | C11 | C31 | 119.2° | 120.0° |
| N10 | C20 | H20 | 117.7° | 118.3° |
| C12 | C11 | C31 | 120.6° | 120.0° |
| C11 | C12 | C13 | 118.3° | 119.8° |
| C11 | C12 | H12 | 120.8° | 120.1° |
| C11 | C31 | C30 | 121.0° | 120.0° |
| C11 | C31 | C32 | 121.5° | 120.0° |
| C12 | C13 | N14 | 123.6° | 120.1° |
| C12 | C13 | C29 | 120.0° | 119.9° |
| C13 | C12 | H12 | 120.9° | 120.0° |
| N14 | C13 | C29 | 116.4° | 120.0° |
| C13 | N14 | C15 | 124.9° | 120.0° |
| C13 | N14 | H14 | 117.6° | 120.1° |
| C13 | C29 | C30 | 122.4° | 120.1° |
| C13 | C29 | H29 | 118.8° | 119.9° |
| N14 | C15 | O16 | 124.4° | 120.0° |
| N14 | C15 | C17 | 116.6° | 120.0° |
| C15 | N14 | H14 | 117.6° | 120.0° |
| O16 | C15 | C17 | 119.0° | 120.0° |
| C15 | C17 | C18 | 121.2° | 120.9° |
| C15 | C17 | C22 | 119.3° | 120.9° |
| C18 | C17 | C22 | 119.4° | 118.2° |
| C17 | C18 | C19 | 116.9° | 119.2° |
| C17 | C18 | H18 | 121.6° | 120.4° |
| C17 | C22 | C21 | 121.0° | 118.9° |
| C17 | C22 | H22 | 119.5° | 120.5° |
| C18 | C19 | N20 | 124.3° | 121.0° |
| C19 | C18 | H18 | 121.5° | 120.4° |
| C18 | C19 | H19 | 117.9° | 119.5° |
| C19 | N20 | C21 | 119.3° | 121.9° |
| N20 | C19 | H19 | 117.8° | 119.5° |
| N20 | C21 | C22 | 119.0° | 120.7° |
| N20 | C21 | N23 | 119.1° | 119.6° |
| C22 | C21 | N23 | 121.9° | 119.7° |
| C21 | C22 | H22 | 119.5° | 120.5° |
| C21 | N23 | C28 | 118.3° | 111.1° |
| C21 | N23 | C24 | 117.0° | 111.0° |
| C28 | N23 | C24 | 112.4° | 110.7° |
| N23 | C28 | C27 | 112.6° | 109.3° |
| N23 | C28 | H281 | 108.7° | 109.5° |
| N23 | C28 | H282 | 108.7° | 109.4° |
| N23 | C24 | C25 | 110.0° | 109.3° |
| N23 | C24 | H241 | 109.3° | 109.5° |
| N23 | C24 | H242 | 109.3° | 109.5° |
| C28 | C27 | O26 | 111.8° | 109.2° |
| C27 | C28 | H281 | 108.7° | 109.5° |
| C27 | C28 | H282 | 108.7° | 109.5° |
| C28 | C27 | H271 | 108.9° | 109.5° |
| C28 | C27 | H272 | 108.9° | 109.4° |
| C27 | O26 | C25 | 108.8° | 113.8° |
| O26 | C27 | H271 | 108.9° | 109.6° |
| O26 | C27 | H272 | 108.9° | 109.5° |
| O26 | C25 | C24 | 113.4° | 109.2° |
| O26 | C25 | H251 | 108.4° | 109.6° |
| O26 | C25 | H252 | 108.5° | 109.5° |
| C25 | C24 | H241 | 109.3° | 109.5° |
| C25 | C24 | H242 | 109.3° | 109.5° |
| C24 | C25 | H251 | 108.5° | 109.5° |
| C24 | C25 | H252 | 108.5° | 109.5° |
| C29 | C30 | C31 | 117.6° | 120.2° |
| C30 | C29 | H29 | 118.8° | 120.0° |
| C29 | C30 | H30 | 121.2° | 119.9° |
| C30 | C31 | C32 | 117.5° | 120.0° |
| C31 | C30 | H30 | 121.2° | 119.9° |
| C31 | C32 | H321 | 109.5° | 109.5° |
| C31 | C32 | H322 | 109.5° | 109.5° |
| C31 | C32 | H323 | 109.5° | 109.5° |
| C33 | C34 | C35 | 119.6° | 119.3° |
| C33 | C34 | H34 | 120.2° | 120.3° |
| C34 | C35 | N31 | 122.9° | 119.8° |
| C35 | C34 | H34 | 120.2° | 120.4° |
| C35 | N31 | C37 | 115.4° | 111.1° |
| C35 | N31 | C41 | 115.6° | 111.0° |
| C38 | C37 | N31 | 112.9° | 109.4° |
| C37 | C38 | N39 | 110.1° | 109.4° |
| C38 | C37 | H371 | 108.6° | 109.5° |
| C38 | C37 | H372 | 108.6° | 109.5° |
| C37 | C38 | H381 | 109.3° | 109.5° |
| C37 | C38 | H382 | 109.3° | 109.6° |
| C37 | N31 | C41 | 120.0° | 110.9° |
| N31 | C37 | H371 | 108.6° | 109.5° |
| N31 | C37 | H372 | 108.6° | 109.5° |
| C38 | N39 | C43 | 110.1° | 111.0° |
| C38 | N39 | C40 | 113.2° | 110.9° |
| N39 | C38 | H381 | 109.3° | 109.4° |
| N39 | C38 | H382 | 109.3° | 109.5° |
| C43 | N39 | C40 | 108.7° | 111.0° |
| N39 | C43 | H431 | 109.5° | 109.5° |
| N39 | C43 | H432 | 109.4° | 109.5° |
| N39 | C43 | H433 | 109.4° | 109.4° |
| N39 | C40 | C41 | 108.5° | 109.4° |
| N39 | C40 | H401 | 109.7° | 109.5° |
| N39 | C40 | H402 | 109.7° | 109.5° |
| C40 | C41 | N31 | 109.4° | 109.4° |
| C41 | C40 | H401 | 109.7° | 109.5° |
| C41 | C40 | H402 | 109.7° | 109.5° |
| C40 | C41 | H411 | 109.5° | 109.5° |
| C40 | C41 | H412 | 109.5° | 109.5° |
| N31 | C41 | H411 | 109.5° | 109.5° |
| N31 | C41 | H412 | 109.5° | 109.5° |
| H281 | C28 | H282 | 109.5° | 109.5° |
| H241 | C24 | H242 | 109.5° | 109.5° |
| H271 | C27 | H272 | 109.5° | 109.6° |
| H251 | C25 | H252 | 109.5° | 109.6° |
| H321 | C32 | H322 | 109.5° | 109.5° |
| H321 | C32 | H323 | 109.4° | 109.5° |
| H322 | C32 | H323 | 109.5° | 109.4° |
| H371 | C37 | H372 | 109.5° | 109.4° |
| H381 | C38 | H382 | 109.5° | 109.5° |
| H431 | C43 | H432 | 109.5° | 109.5° |
| H431 | C43 | H433 | 109.5° | 109.5° |
| H432 | C43 | H433 | 109.5° | 109.5° |
| H401 | C40 | H402 | 109.4° | 109.5° |
| H411 | C41 | H412 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C3 | C35 | H3 | 180.0° | 179.7° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | N6 | 179.9° | 180.0° |
| C3 | C4 | C5 | C33 | 0.3° | 0.0° |
| C4 | C3 | C35 | C34 | 0.1° | 0.1° |
| C4 | C3 | C35 | N31 | 179.4° | 180.0° |
| C35 | C3 | C4 | C5 | 0.3° | 0.0° |
| C3 | C35 | C34 | C33 | 0.0° | 0.1° |
| C3 | C35 | C34 | N31 | 179.2° | 180.0° |
| C3 | C35 | N31 | C37 | 27.6° | 123.8° |
| C3 | C35 | N31 | C41 | 174.9° | 0.0° |
| C35 | C3 | C4 | H4 | 179.7° | 180.0° |
| C3 | C35 | C34 | H34 | 180.0° | 179.9° |
| C4 | C5 | N6 | C33 | 179.6° | 180.0° |
| C4 | C5 | N6 | C20 | 179.7° | 180.0° |
| C4 | C5 | C33 | C9 | 179.6° | 180.0° |
| C4 | C5 | C33 | C34 | 0.1° | 0.0° |
| C5 | C4 | C3 | H3 | 179.7° | 179.7° |
| N6 | C5 | C33 | C9 | 0.0° | 0.0° |
| C5 | N6 | C20 | N10 | 0.2° | 0.1° |
| N6 | C5 | C33 | C34 | 179.7° | 180.0° |
| N6 | C5 | C4 | H4 | 0.2° | 0.0° |
| C5 | N6 | C20 | H20 | 179.8° | 180.0° |
| C33 | C5 | N6 | C20 | 0.1° | 0.0° |
| C5 | C33 | C9 | N10 | 0.0° | 0.0° |
| C5 | C33 | C9 | C34 | 179.7° | 180.0° |
| C5 | C33 | C9 | O39 | 179.4° | 179.9° |
| C5 | C33 | C34 | C35 | 0.0° | 0.0° |
| C33 | C5 | C4 | H4 | 179.8° | 180.0° |
| C5 | C33 | C34 | H34 | 180.0° | 180.0° |
| N6 | C20 | N10 | C9 | 0.1° | 0.1° |
| N6 | C20 | N10 | C11 | 172.6° | 180.0° |
| N6 | C20 | N10 | H20 | 180.0° | 180.0° |
| N10 | C9 | C33 | O39 | 179.4° | 179.9° |
| C9 | N10 | C11 | C20 | 172.8° | 179.9° |
| C9 | N10 | C11 | C12 | 78.4° | 90.0° |
| C9 | N10 | C11 | C31 | 99.2° | 90.3° |
| N10 | C9 | C33 | C34 | 179.8° | 180.0° |
| C9 | N10 | C20 | H20 | 179.8° | 180.0° |
| C33 | C9 | N10 | C11 | 172.6° | 180.0° |
| C33 | C9 | N10 | C20 | 0.0° | 0.1° |
| C9 | C33 | C34 | C35 | 179.7° | 180.0° |
| C9 | C33 | C34 | H34 | 0.3° | 0.0° |
| O39 | C9 | N10 | C11 | 8.0° | 0.1° |
| O39 | C9 | N10 | C20 | 179.4° | 180.0° |
| O39 | C9 | C33 | C34 | 0.3° | 0.1° |
| N10 | C11 | C12 | C31 | 177.6° | 179.7° |
| N10 | C11 | C12 | C13 | 178.6° | 179.9° |
| N10 | C11 | C31 | C30 | 178.0° | 179.8° |
| N10 | C11 | C31 | C32 | 2.1° | 0.0° |
| C11 | N10 | C20 | H20 | 7.4° | 0.0° |
| N10 | C11 | C12 | H12 | 1.4° | 0.0° |
| C20 | N10 | C11 | C12 | 108.8° | 90.0° |
| C20 | N10 | C11 | C31 | 73.6° | 89.7° |
| C11 | C12 | C13 | H12 | 180.0° | 179.9° |
| C11 | C12 | C13 | N14 | 179.0° | 180.0° |
| C11 | C12 | C13 | C29 | 1.3° | 0.0° |
| C12 | C11 | C31 | C30 | 0.4° | 0.5° |
| C12 | C11 | C31 | C32 | 179.7° | 179.7° |
| C31 | C11 | C12 | C13 | 1.1° | 0.2° |
| C11 | C31 | C30 | C29 | 0.0° | 0.5° |
| C11 | C31 | C30 | C32 | 180.0° | 179.8° |
| C31 | C11 | C12 | H12 | 178.9° | 179.7° |
| C11 | C31 | C30 | H30 | 180.0° | 179.7° |
| C11 | C31 | C32 | H321 | 90.0° | 90.0° |
| C11 | C31 | C32 | H322 | 150.0° | 150.0° |
| C11 | C31 | C32 | H323 | 30.0° | 30.0° |
| C12 | C13 | N14 | C29 | 177.7° | 180.0° |
| C12 | C13 | N14 | C15 | 33.0° | 33.4° |
| C12 | C13 | C29 | C30 | 1.0° | 0.0° |
| C12 | C13 | N14 | H14 | 147.0° | 146.7° |
| C12 | C13 | C29 | H29 | 179.0° | 180.0° |
| C13 | N14 | C15 | H14 | 180.0° | 180.0° |
| C13 | N14 | C15 | O16 | 3.8° | 5.3° |
| C13 | N14 | C15 | C17 | 173.6° | 174.7° |
| N14 | C13 | C29 | C30 | 178.8° | 180.0° |
| N14 | C13 | C12 | H12 | 1.0° | 0.0° |
| N14 | C13 | C29 | H29 | 1.2° | 0.0° |
| C29 | C13 | N14 | C15 | 149.3° | 146.7° |
| C13 | C29 | C30 | H29 | 180.0° | 180.0° |
| C13 | C29 | C30 | C31 | 0.3° | 0.2° |
| C29 | C13 | C12 | H12 | 178.6° | 180.0° |
| C29 | C13 | N14 | H14 | 30.7° | 33.3° |
| C13 | C29 | C30 | H30 | 179.7° | 180.0° |
| N14 | C15 | O16 | C17 | 177.4° | 180.0° |
| N14 | C15 | C17 | C18 | 29.8° | 0.0° |
| N14 | C15 | C17 | C22 | 150.7° | 179.7° |
| O16 | C15 | C17 | C18 | 152.6° | 180.0° |
| O16 | C15 | C17 | C22 | 26.9° | 0.3° |
| O16 | C15 | N14 | H14 | 176.2° | 174.7° |
| C15 | C17 | C18 | C22 | 179.5° | 179.7° |
| C15 | C17 | C18 | C19 | 179.2° | 180.0° |
| C15 | C17 | C22 | C21 | 179.6° | 179.7° |
| C17 | C15 | N14 | H14 | 6.4° | 5.3° |
| C15 | C17 | C18 | H18 | 0.8° | 0.0° |
| C15 | C17 | C22 | H22 | 0.3° | 0.0° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C17 | C18 | C19 | N20 | 0.4° | 0.0° |
| C18 | C17 | C22 | C21 | 0.2° | 0.5° |
| C18 | C17 | C22 | H22 | 179.8° | 179.8° |
| C17 | C18 | C19 | H19 | 179.7° | 179.9° |
| C22 | C17 | C18 | C19 | 0.2° | 0.3° |
| C17 | C22 | C21 | N20 | 1.1° | 0.5° |
| C17 | C22 | C21 | H22 | 180.0° | 179.7° |
| C17 | C22 | C21 | N23 | 178.1° | 179.7° |
| C22 | C17 | C18 | H18 | 179.8° | 179.8° |
| C18 | C19 | N20 | H19 | 180.0° | 179.9° |
| C18 | C19 | N20 | C21 | 1.4° | 0.0° |
| C19 | N20 | C21 | C22 | 1.7° | 0.3° |
| C19 | N20 | C21 | N23 | 177.6° | 180.0° |
| N20 | C19 | C18 | H18 | 179.6° | 180.0° |
| N20 | C21 | C22 | N23 | 179.2° | 179.7° |
| N20 | C21 | N23 | C28 | 167.1° | 0.0° |
| N20 | C21 | N23 | C24 | 27.6° | 123.6° |
| N20 | C21 | C22 | H22 | 178.8° | 179.8° |
| C21 | N20 | C19 | H19 | 178.7° | 180.0° |
| C22 | C21 | N23 | C28 | 13.7° | 179.7° |
| C22 | C21 | N23 | C24 | 153.2° | 56.6° |
| C21 | N23 | C28 | C24 | 141.3° | 123.8° |
| C21 | N23 | C28 | C27 | 168.1° | 177.6° |
| C21 | N23 | C24 | C25 | 168.2° | 177.6° |
| N23 | C21 | C22 | H22 | 1.9° | 0.0° |
| C21 | N23 | C28 | H281 | 71.5° | 62.4° |
| C21 | N23 | C28 | H282 | 47.6° | 57.6° |
| C21 | N23 | C24 | H241 | 48.1° | 57.6° |
| C21 | N23 | C24 | H242 | 71.8° | 62.4° |
| N23 | C28 | C27 | H281 | 120.5° | 119.9° |
| N23 | C28 | C27 | H282 | 120.5° | 119.9° |
| N23 | C28 | C27 | O26 | 54.6° | 56.8° |
| C28 | N23 | C24 | C25 | 50.0° | 58.6° |
| N23 | C28 | H281 | H282 | 118.6° | 120.0° |
| C28 | N23 | C24 | H241 | 170.1° | 178.5° |
| C28 | N23 | C24 | H242 | 70.1° | 61.4° |
| N23 | C28 | C27 | H271 | 175.0° | 176.8° |
| N23 | C28 | C27 | H272 | 65.7° | 63.1° |
| C24 | N23 | C28 | C27 | 50.6° | 58.6° |
| N23 | C24 | C25 | O26 | 55.5° | 56.9° |
| N23 | C24 | C25 | H241 | 120.1° | 119.9° |
| N23 | C24 | C25 | H242 | 120.1° | 120.0° |
| C24 | N23 | C28 | H281 | 69.8° | 61.4° |
| C24 | N23 | C28 | H282 | 171.1° | 178.6° |
| N23 | C24 | H241 | H242 | 119.8° | 120.1° |
| N23 | C24 | C25 | H251 | 176.0° | 176.8° |
| N23 | C24 | C25 | H252 | 65.1° | 63.0° |
| C28 | C27 | O26 | H271 | 120.3° | 119.9° |
| C28 | C27 | O26 | H272 | 120.3° | 119.8° |
| C28 | C27 | O26 | C25 | 57.3° | 58.7° |
| C27 | C28 | H281 | H282 | 118.5° | 120.1° |
| C28 | C27 | H271 | H272 | 118.9° | 120.0° |
| C27 | O26 | C25 | C24 | 59.1° | 58.7° |
| O26 | C27 | C28 | H281 | 65.9° | 63.1° |
| O26 | C27 | C28 | H282 | 175.1° | 176.7° |
| O26 | C27 | H271 | H272 | 119.0° | 120.2° |
| C27 | O26 | C25 | H251 | 179.6° | 178.6° |
| C27 | O26 | C25 | H252 | 61.5° | 61.2° |
| O26 | C25 | C24 | H251 | 120.6° | 120.0° |
| O26 | C25 | C24 | H252 | 120.6° | 119.9° |
| O26 | C25 | C24 | H241 | 175.5° | 176.8° |
| O26 | C25 | C24 | H242 | 64.6° | 63.2° |
| C25 | O26 | C27 | H271 | 177.6° | 178.6° |
| C25 | O26 | C27 | H272 | 63.0° | 61.2° |
| O26 | C25 | H251 | H252 | 118.2° | 120.1° |
| C25 | C24 | H241 | H242 | 119.7° | 120.1° |
| C24 | C25 | H251 | H252 | 118.2° | 120.1° |
| C29 | C30 | C31 | H30 | 180.0° | 179.8° |
| C29 | C30 | C31 | C32 | 179.9° | 179.7° |
| C31 | C30 | C29 | H29 | 179.7° | 179.8° |
| C30 | C31 | C32 | H321 | 90.0° | 89.8° |
| C30 | C31 | C32 | H322 | 30.0° | 30.2° |
| C30 | C31 | C32 | H323 | 150.0° | 150.2° |
| C32 | C31 | C30 | H30 | 0.1° | 0.1° |
| C31 | C32 | H321 | H322 | 120.0° | 120.0° |
| C31 | C32 | H321 | H323 | 120.0° | 120.1° |
| C31 | C32 | H322 | H323 | 120.0° | 120.0° |
| C33 | C34 | C35 | H34 | 180.0° | 180.0° |
| C33 | C34 | C35 | N31 | 179.2° | 180.0° |
| C34 | C35 | N31 | C37 | 153.2° | 56.2° |
| C34 | C35 | N31 | C41 | 5.9° | 180.0° |
| C34 | C35 | C3 | H3 | 179.9° | 179.7° |
| C35 | N31 | C37 | C38 | 103.4° | 176.8° |
| C35 | N31 | C37 | C41 | 145.7° | 123.9° |
| C35 | N31 | C41 | C40 | 97.6° | 176.8° |
| N31 | C35 | C3 | H3 | 0.6° | 0.3° |
| N31 | C35 | C34 | H34 | 0.8° | 0.0° |
| C35 | N31 | C37 | H371 | 17.2° | 56.8° |
| C35 | N31 | C37 | H372 | 136.1° | 63.1° |
| C35 | N31 | C41 | H411 | 142.4° | 56.8° |
| C35 | N31 | C41 | H412 | 22.4° | 63.2° |
| C38 | C37 | N31 | H371 | 120.5° | 120.0° |
| C38 | C37 | N31 | H372 | 120.5° | 120.1° |
| C37 | C38 | N39 | H381 | 120.1° | 120.0° |
| C37 | C38 | N39 | H382 | 120.1° | 120.1° |
| C37 | C38 | N39 | C43 | 177.9° | 64.5° |
| C37 | C38 | N39 | C40 | 55.9° | 59.3° |
| C38 | C37 | N31 | C41 | 42.4° | 59.3° |
| C38 | C37 | H371 | H372 | 118.4° | 120.1° |
| C37 | C38 | H381 | H382 | 119.7° | 120.1° |
| N31 | C37 | C38 | N39 | 42.9° | 58.4° |
| C37 | N31 | C41 | C40 | 48.1° | 59.3° |
| N31 | C37 | H371 | H372 | 118.4° | 120.0° |
| N31 | C37 | C38 | H381 | 163.0° | 178.4° |
| N31 | C37 | C38 | H382 | 77.2° | 61.6° |
| C37 | N31 | C41 | H411 | 71.9° | 179.3° |
| C37 | N31 | C41 | H412 | 168.1° | 60.7° |
| C38 | N39 | C43 | C40 | 124.6° | 123.8° |
| C38 | N39 | C40 | C41 | 62.6° | 59.3° |
| N39 | C38 | C37 | H371 | 163.4° | 178.4° |
| N39 | C38 | C37 | H372 | 77.6° | 61.6° |
| N39 | C38 | H381 | H382 | 119.7° | 120.0° |
| C38 | N39 | C43 | H431 | 180.0° | 176.2° |
| C38 | N39 | C43 | H432 | 60.0° | 56.2° |
| C38 | N39 | C43 | H433 | 60.0° | 63.8° |
| C38 | N39 | C40 | H401 | 177.5° | 179.3° |
| C38 | N39 | C40 | H402 | 57.3° | 60.7° |
| C43 | N39 | C40 | C41 | 174.6° | 64.6° |
| C43 | N39 | C38 | H381 | 62.0° | 55.4° |
| C43 | N39 | C38 | H382 | 57.8° | 175.4° |
| N39 | C43 | H431 | H432 | 120.0° | 120.0° |
| N39 | C43 | H431 | H433 | 120.0° | 120.0° |
| N39 | C43 | H432 | H433 | 119.9° | 120.0° |
| C43 | N39 | C40 | H401 | 54.8° | 55.4° |
| C43 | N39 | C40 | H402 | 65.5° | 175.4° |
| N39 | C40 | C41 | H401 | 119.8° | 120.0° |
| N39 | C40 | C41 | H402 | 119.9° | 120.0° |
| N39 | C40 | C41 | N31 | 55.0° | 58.4° |
| C40 | N39 | C38 | H381 | 176.0° | 179.3° |
| C40 | N39 | C38 | H382 | 64.2° | 60.7° |
| C40 | N39 | C43 | H431 | 55.4° | 60.0° |
| C40 | N39 | C43 | H432 | 175.4° | 180.0° |
| C40 | N39 | C43 | H433 | 64.6° | 60.0° |
| N39 | C40 | H401 | H402 | 120.4° | 120.0° |
| N39 | C40 | C41 | H411 | 65.0° | 178.4° |
| N39 | C40 | C41 | H412 | 175.0° | 61.6° |
| C40 | C41 | N31 | H411 | 120.0° | 120.0° |
| C40 | C41 | N31 | H412 | 120.0° | 120.0° |
| C41 | C40 | H401 | H402 | 120.5° | 120.1° |
| C40 | C41 | H411 | H412 | 120.0° | 120.0° |
| C41 | N31 | C37 | H371 | 162.9° | 179.3° |
| C41 | N31 | C37 | H372 | 78.1° | 60.8° |
| N31 | C41 | C40 | H401 | 174.9° | 178.3° |
| N31 | C41 | C40 | H402 | 64.8° | 61.6° |
| N31 | C41 | H411 | H412 | 120.0° | 120.0° |
| H3 | C3 | C4 | H4 | 0.3° | 0.3° |
| H29 | C29 | C30 | H30 | 0.3° | 0.0° |
| H18 | C18 | C19 | H19 | 0.3° | 0.1° |
| H281 | C28 | C27 | H271 | 54.5° | 56.9° |
| H281 | C28 | C27 | H272 | 173.8° | 177.0° |
| H282 | C28 | C27 | H271 | 64.6° | 63.3° |
| H282 | C28 | C27 | H272 | 54.8° | 56.9° |
| H241 | C24 | C25 | H251 | 63.9° | 63.3° |
| H241 | C24 | C25 | H252 | 55.0° | 56.9° |
| H242 | C24 | C25 | H251 | 56.0° | 56.8° |
| H242 | C24 | C25 | H252 | 174.8° | 177.0° |
| H321 | C32 | H322 | H323 | 120.0° | 119.9° |
| H371 | C37 | C38 | H381 | 76.5° | 61.7° |
| H371 | C37 | C38 | H382 | 43.3° | 58.4° |
| H372 | C37 | C38 | H381 | 42.5° | 58.3° |
| H372 | C37 | C38 | H382 | 162.3° | 178.4° |
| H431 | C43 | H432 | H433 | 120.0° | 120.0° |
| H401 | C40 | C41 | H411 | 54.9° | 61.7° |
| H401 | C40 | C41 | H412 | 65.1° | 58.3° |
| H402 | C40 | C41 | H411 | 175.2° | 58.4° |
| H402 | C40 | C41 | H412 | 55.2° | 178.4° |
