V82
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAS | CAP | doub | 1.38Å | 1.39Å | Aromatic |
| CAS | CBO | sing | 1.38Å | 1.40Å | Aromatic |
| CAP | CAV | sing | 1.38Å | 1.39Å | Aromatic |
| OAI | CBO | sing | 1.36Å | 1.36Å | |
| CBO | CBR | doub | 1.39Å | 1.39Å | Aromatic |
| CAV | CBU | doub | 1.40Å | 1.40Å | Aromatic |
| O36 | C24 | doub | 1.21Å | 1.22Å | |
| CBR | CBU | sing | 1.40Å | 1.39Å | Aromatic |
| CBR | OAL | sing | 1.36Å | 1.36Å | |
| CBU | CBJ | sing | 1.48Å | 1.51Å | |
| C24 | C27 | sing | 1.51Å | 1.50Å | |
| C24 | N23 | sing | 1.35Å | 1.34Å | |
| OAD | CBJ | doub | 1.22Å | 1.22Å | |
| N23 | C17 | sing | 1.46Å | 1.45Å | |
| CBJ | N | sing | 1.35Å | 1.34Å | |
| O24 | C8 | sing | 1.34Å | 1.46Å | |
| O24 | C11 | sing | 1.46Å | 1.44Å | |
| OAH | CBN | sing | 1.36Å | 1.36Å | |
| O13 | C8 | doub | 1.22Å | 1.23Å | |
| C17 | C11 | sing | 1.53Å | 1.53Å | |
| O9 | C4 | sing | 1.36Å | 1.37Å | |
| N | CA | sing | 1.47Å | 1.46Å | |
| C8 | N1 | sing | 1.34Å | 1.32Å | |
| C11 | C12 | sing | 1.54Å | 1.54Å | |
| CBN | CAR | doub | 1.38Å | 1.39Å | Aromatic |
| CBN | CBQ | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| O8 | C3 | sing | 1.36Å | 1.36Å | |
| CA | C | sing | 1.51Å | 1.51Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| OAK | CBQ | sing | 1.36Å | 1.36Å | |
| N1 | C12 | sing | 1.47Å | 1.45Å | |
| N1 | C33 | sing | 1.40Å | 1.41Å | |
| C5 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | C2 | doub | 1.40Å | 1.39Å | Aromatic |
| CAR | CAO | sing | 1.39Å | 1.39Å | Aromatic |
| NBE | C | sing | 1.35Å | 1.34Å | |
| NBE | CBA | sing | 1.47Å | 1.45Å | |
| CBQ | CBT | doub | 1.40Å | 1.39Å | Aromatic |
| C | O1 | doub | 1.21Å | 1.22Å | |
| C32 | C33 | doub | 1.39Å | 1.40Å | Aromatic |
| C32 | C31 | sing | 1.38Å | 1.39Å | Aromatic |
| CB | NBD | sing | 1.46Å | 1.46Å | |
| CBA | CBX | sing | 1.53Å | 1.53Å | |
| C33 | C34 | sing | 1.39Å | 1.40Å | Aromatic |
| C2 | C7 | sing | 1.40Å | 1.40Å | Aromatic |
| C2 | CBK | sing | 1.47Å | 1.51Å | |
| C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| NBG | CBK | sing | 1.35Å | 1.35Å | |
| NBG | CBX | sing | 1.47Å | 1.47Å | |
| OAB | CBH | doub | 1.21Å | 1.22Å | |
| CAO | CAU | doub | 1.38Å | 1.39Å | Aromatic |
| NBD | CBH | sing | 1.35Å | 1.34Å | |
| C31 | C30 | doub | 1.39Å | 1.40Å | Aromatic |
| CBK | OAE | doub | 1.22Å | 1.22Å | |
| CBT | CAU | sing | 1.40Å | 1.40Å | Aromatic |
| CBT | CBI | sing | 1.47Å | 1.51Å | |
| CBX | CBL | sing | 1.51Å | 1.52Å | |
| CBH | CAY | sing | 1.51Å | 1.51Å | |
| NBC | CBI | sing | 1.35Å | 1.34Å | |
| NBC | CAY | sing | 1.46Å | 1.45Å | |
| C34 | C35 | doub | 1.38Å | 1.40Å | Aromatic |
| CBI | OAC | doub | 1.22Å | 1.22Å | |
| C30 | C35 | sing | 1.39Å | 1.40Å | Aromatic |
| C30 | N27 | sing | 1.40Å | 1.41Å | |
| CBL | OAF | doub | 1.21Å | 1.22Å | |
| CBL | NBB | sing | 1.35Å | 1.34Å | |
| C35 | F36 | sing | 1.35Å | 1.35Å | |
| C28 | N27 | sing | 1.47Å | 1.46Å | |
| C28 | C29 | sing | 1.53Å | 1.52Å | |
| N27 | C26 | sing | 1.47Å | 1.47Å | |
| C29 | N24 | sing | 1.47Å | 1.46Å | |
| NBB | CAX | sing | 1.47Å | 1.45Å | |
| C26 | C25 | sing | 1.53Å | 1.54Å | |
| CAX | C10 | sing | 1.51Å | 1.52Å | |
| N24 | C22 | sing | 1.35Å | 1.34Å | |
| N24 | C25 | sing | 1.47Å | 1.47Å | |
| O23 | C22 | doub | 1.22Å | 1.23Å | |
| C22 | O21 | sing | 1.35Å | 1.46Å | |
| C10 | C14 | doub | 1.35Å | 1.39Å | Aromatic |
| C10 | N11 | sing | 1.34Å | 1.36Å | Aromatic |
| C14 | N13 | sing | 1.35Å | 1.34Å | Aromatic |
| N11 | N12 | doub | 1.29Å | 1.41Å | Aromatic |
| O21 | C1 | sing | 1.45Å | 1.43Å | |
| N13 | N12 | sing | 1.29Å | 1.40Å | Aromatic |
| N13 | C1 | sing | 1.46Å | 1.47Å | |
| C14 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.08Å | 1.08Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| OAK | H8 | sing | 0.97Å | 0.95Å | |
| OAH | H9 | sing | 0.97Å | 0.95Å | |
| CAR | H10 | sing | 1.08Å | 1.08Å | |
| CAO | H11 | sing | 1.08Å | 1.08Å | |
| CAU | H12 | sing | 1.08Å | 1.08Å | |
| NBC | H13 | sing | 0.97Å | 1.00Å | |
| CAY | H14 | sing | 1.09Å | 1.10Å | |
| CAY | H15 | sing | 1.09Å | 1.10Å | |
| NBD | H16 | sing | 0.97Å | 1.00Å | |
| CB | H17 | sing | 1.09Å | 1.10Å | |
| CB | H18 | sing | 1.09Å | 1.10Å | |
| CA | H19 | sing | 1.09Å | 1.10Å | |
| N | H20 | sing | 0.97Å | 1.00Å | |
| OAL | H21 | sing | 0.97Å | 0.95Å | |
| OAI | H22 | sing | 0.97Å | 0.95Å | |
| CAS | H23 | sing | 1.08Å | 1.08Å | |
| CAP | H24 | sing | 1.08Å | 1.08Å | |
| CAV | H25 | sing | 1.08Å | 1.08Å | |
| NBE | H26 | sing | 0.97Å | 1.00Å | |
| CBA | H27 | sing | 1.09Å | 1.10Å | |
| CBA | H28 | sing | 1.09Å | 1.10Å | |
| CBX | H29 | sing | 1.09Å | 1.10Å | |
| NBG | H30 | sing | 0.97Å | 1.00Å | |
| NBB | H31 | sing | 0.97Å | 1.00Å | |
| CAX | H32 | sing | 1.09Å | 1.10Å | |
| CAX | H33 | sing | 1.09Å | 1.10Å | |
| O8 | H34 | sing | 0.97Å | 0.95Å | |
| O9 | H35 | sing | 0.97Å | 0.95Å | |
| C25 | H36 | sing | 1.09Å | 1.10Å | |
| C25 | H37 | sing | 1.09Å | 1.10Å | |
| C26 | H38 | sing | 1.09Å | 1.10Å | |
| C26 | H39 | sing | 1.09Å | 1.10Å | |
| C28 | H40 | sing | 1.09Å | 1.10Å | |
| C28 | H41 | sing | 1.09Å | 1.10Å | |
| C29 | H42 | sing | 1.09Å | 1.10Å | |
| C29 | H43 | sing | 1.09Å | 1.10Å | |
| C31 | H44 | sing | 1.08Å | 1.08Å | |
| C32 | H45 | sing | 1.08Å | 1.08Å | |
| C34 | H46 | sing | 1.08Å | 1.08Å | |
| C17 | H47 | sing | 1.09Å | 1.10Å | |
| C17 | H48 | sing | 1.09Å | 1.10Å | |
| N23 | H49 | sing | 0.97Å | 1.00Å | |
| C27 | H50 | sing | 1.09Å | 1.10Å | |
| C27 | H51 | sing | 1.09Å | 1.10Å | |
| C27 | H52 | sing | 1.09Å | 1.10Å | |
| C1 | H53 | sing | 1.09Å | 1.10Å | |
| C1 | H54 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAP | CAS | CBO | 119.8° | 120.4° |
| CAS | CAP | CAV | 119.5° | 120.3° |
| CAP | CAS | H23 | 120.1° | 119.8° |
| CAS | CAP | H24 | 120.2° | 119.8° |
| CAS | CBO | OAI | 120.6° | 120.0° |
| CAS | CBO | CBR | 120.4° | 120.0° |
| CBO | CAS | H23 | 120.1° | 119.8° |
| CAP | CAV | CBU | 120.4° | 120.0° |
| CAV | CAP | H24 | 120.2° | 119.9° |
| CAP | CAV | H25 | 119.8° | 119.9° |
| OAI | CBO | CBR | 119.0° | 120.0° |
| CBO | OAI | H22 | 109.5° | 114.0° |
| CBO | CBR | CBU | 120.1° | 119.7° |
| CBO | CBR | OAL | 119.7° | 120.2° |
| CAV | CBU | CBR | 119.7° | 119.7° |
| CAV | CBU | CBJ | 120.4° | 120.1° |
| CBU | CAV | H25 | 119.8° | 120.1° |
| O36 | C24 | C27 | 121.9° | 120.0° |
| O36 | C24 | N23 | 121.2° | 120.0° |
| CBU | CBR | OAL | 120.2° | 120.1° |
| CBR | CBU | CBJ | 119.9° | 120.2° |
| CBR | OAL | H21 | 109.5° | 114.0° |
| CBU | CBJ | OAD | 118.5° | 120.0° |
| CBU | CBJ | N | 119.6° | 120.0° |
| C27 | C24 | N23 | 116.9° | 120.1° |
| C24 | C27 | H50 | 109.5° | 109.4° |
| C24 | C27 | H51 | 109.4° | 109.5° |
| C24 | C27 | H52 | 109.5° | 109.5° |
| C24 | N23 | C17 | 123.3° | 120.1° |
| C24 | N23 | H49 | 118.3° | 119.9° |
| OAD | CBJ | N | 121.9° | 120.0° |
| N23 | C17 | C11 | 111.2° | 109.5° |
| N23 | C17 | H47 | 109.0° | 109.5° |
| N23 | C17 | H48 | 109.1° | 109.5° |
| C17 | N23 | H49 | 118.4° | 120.0° |
| CBJ | N | CA | 122.2° | 120.0° |
| CBJ | N | H20 | 118.9° | 120.0° |
| C8 | O24 | C11 | 106.5° | 109.5° |
| O24 | C8 | O13 | 122.8° | 123.1° |
| O24 | C8 | N1 | 109.4° | 113.8° |
| O24 | C11 | C17 | 111.8° | 110.6° |
| O24 | C11 | C12 | 108.0° | 104.0° |
| O24 | C11 | H4 | 109.1° | 110.5° |
| OAH | CBN | CAR | 119.9° | 120.0° |
| OAH | CBN | CBQ | 119.9° | 120.0° |
| CBN | OAH | H9 | 109.5° | 114.0° |
| O13 | C8 | N1 | 127.8° | 123.1° |
| C17 | C11 | C12 | 112.1° | 110.5° |
| C17 | C11 | H4 | 107.9° | 110.5° |
| C11 | C17 | H47 | 109.1° | 109.5° |
| C11 | C17 | H48 | 109.0° | 109.5° |
| O9 | C4 | C5 | 117.2° | 120.0° |
| O9 | C4 | C3 | 122.5° | 120.0° |
| C4 | O9 | H35 | 109.5° | 114.0° |
| N | CA | C | 111.6° | 109.5° |
| N | CA | CB | 110.7° | 109.5° |
| N | CA | H19 | 108.2° | 109.5° |
| CA | N | H20 | 118.9° | 120.0° |
| C8 | N1 | C12 | 114.5° | 108.9° |
| C8 | N1 | C33 | 122.9° | 125.6° |
| C11 | C12 | N1 | 101.1° | 103.8° |
| C12 | C11 | H4 | 107.8° | 110.5° |
| C11 | C12 | H6 | 111.5° | 110.5° |
| C11 | C12 | H7 | 111.5° | 110.5° |
| CAR | CBN | CBQ | 120.2° | 120.0° |
| CBN | CAR | CAO | 119.6° | 120.3° |
| CBN | CAR | H10 | 120.2° | 119.8° |
| CBN | CBQ | OAK | 119.5° | 120.2° |
| CBN | CBQ | CBT | 120.7° | 119.6° |
| C5 | C4 | C3 | 120.2° | 120.0° |
| C4 | C5 | C6 | 119.9° | 120.3° |
| C4 | C5 | H2 | 120.0° | 119.9° |
| C4 | C3 | O8 | 121.7° | 120.2° |
| C4 | C3 | C2 | 120.1° | 119.6° |
| O8 | C3 | C2 | 118.2° | 120.2° |
| C3 | O8 | H34 | 109.5° | 114.0° |
| C | CA | CB | 111.3° | 109.5° |
| CA | C | NBE | 116.6° | 120.0° |
| CA | C | O1 | 120.6° | 120.0° |
| C | CA | H19 | 107.5° | 109.5° |
| CA | CB | NBD | 113.0° | 109.5° |
| CA | CB | H17 | 108.6° | 109.5° |
| CA | CB | H18 | 108.6° | 109.5° |
| CB | CA | H19 | 107.3° | 109.5° |
| OAK | CBQ | CBT | 119.8° | 120.2° |
| CBQ | OAK | H8 | 109.5° | 114.0° |
| C12 | N1 | C33 | 122.6° | 125.5° |
| N1 | C12 | H6 | 111.5° | 110.6° |
| N1 | C12 | H7 | 111.5° | 110.7° |
| N1 | C33 | C32 | 119.8° | 120.0° |
| N1 | C33 | C34 | 121.0° | 120.0° |
| C5 | C6 | C7 | 119.6° | 120.3° |
| C6 | C5 | H2 | 120.0° | 119.8° |
| C5 | C6 | H3 | 120.2° | 119.8° |
| C3 | C2 | C7 | 119.1° | 119.7° |
| C3 | C2 | CBK | 122.4° | 120.2° |
| CAR | CAO | CAU | 120.1° | 120.4° |
| CAO | CAR | H10 | 120.2° | 119.8° |
| CAR | CAO | H11 | 120.0° | 119.8° |
| C | NBE | CBA | 122.9° | 120.0° |
| NBE | C | O1 | 122.8° | 120.0° |
| C | NBE | H26 | 118.5° | 120.0° |
| NBE | CBA | CBX | 111.6° | 109.4° |
| CBA | NBE | H26 | 118.6° | 120.0° |
| NBE | CBA | H27 | 108.9° | 109.5° |
| NBE | CBA | H28 | 109.0° | 109.4° |
| CBQ | CBT | CAU | 119.2° | 119.6° |
| CBQ | CBT | CBI | 120.2° | 120.2° |
| C33 | C32 | C31 | 120.2° | 120.1° |
| C32 | C33 | C34 | 119.3° | 120.0° |
| C33 | C32 | H45 | 119.9° | 120.0° |
| C32 | C31 | C30 | 120.9° | 120.0° |
| C32 | C31 | H44 | 119.6° | 120.0° |
| C31 | C32 | H45 | 119.9° | 120.0° |
| CB | NBD | CBH | 122.7° | 120.0° |
| CB | NBD | H16 | 118.6° | 120.0° |
| NBD | CB | H17 | 108.6° | 109.4° |
| NBD | CB | H18 | 108.6° | 109.5° |
| CBA | CBX | NBG | 112.8° | 109.5° |
| CBA | CBX | CBL | 110.7° | 109.5° |
| CBX | CBA | H27 | 108.9° | 109.5° |
| CBX | CBA | H28 | 108.9° | 109.5° |
| CBA | CBX | H29 | 105.9° | 109.5° |
| C33 | C34 | C35 | 120.5° | 120.0° |
| C33 | C34 | H46 | 119.7° | 120.0° |
| C7 | C2 | CBK | 118.4° | 120.2° |
| C2 | C7 | C6 | 121.0° | 120.0° |
| C2 | C7 | H5 | 119.5° | 120.0° |
| C2 | CBK | NBG | 124.3° | 120.0° |
| C2 | CBK | OAE | 116.1° | 120.0° |
| C7 | C6 | H3 | 120.2° | 119.8° |
| C6 | C7 | H5 | 119.5° | 120.0° |
| CBK | NBG | CBX | 119.6° | 120.0° |
| NBG | CBK | OAE | 119.6° | 119.9° |
| CBK | NBG | H30 | 120.2° | 120.0° |
| NBG | CBX | CBL | 114.0° | 109.4° |
| NBG | CBX | H29 | 106.6° | 109.5° |
| CBX | NBG | H30 | 120.2° | 120.0° |
| OAB | CBH | NBD | 123.0° | 120.0° |
| OAB | CBH | CAY | 119.6° | 120.0° |
| CAO | CAU | CBT | 120.2° | 120.0° |
| CAU | CAO | H11 | 119.9° | 119.8° |
| CAO | CAU | H12 | 119.9° | 120.0° |
| NBD | CBH | CAY | 117.4° | 120.0° |
| CBH | NBD | H16 | 118.6° | 120.0° |
| C31 | C30 | C35 | 119.1° | 120.0° |
| C31 | C30 | N27 | 117.6° | 120.0° |
| C30 | C31 | H44 | 119.6° | 120.0° |
| CAU | CBT | CBI | 120.5° | 120.2° |
| CBT | CAU | H12 | 119.9° | 120.0° |
| CBT | CBI | NBC | 119.7° | 120.0° |
| CBT | CBI | OAC | 119.0° | 120.0° |
| CBX | CBL | OAF | 121.2° | 120.0° |
| CBX | CBL | NBB | 117.5° | 120.0° |
| CBL | CBX | H29 | 106.1° | 109.4° |
| CBH | CAY | NBC | 110.7° | 109.5° |
| CBH | CAY | H14 | 109.2° | 109.5° |
| CBH | CAY | H15 | 109.2° | 109.5° |
| CBI | NBC | CAY | 122.1° | 120.0° |
| NBC | CBI | OAC | 121.1° | 120.0° |
| CBI | NBC | H13 | 118.9° | 119.9° |
| CAY | NBC | H13 | 118.9° | 120.0° |
| NBC | CAY | H14 | 109.2° | 109.4° |
| NBC | CAY | H15 | 109.2° | 109.5° |
| C34 | C35 | C30 | 120.1° | 119.9° |
| C34 | C35 | F36 | 118.8° | 120.0° |
| C35 | C34 | H46 | 119.8° | 120.0° |
| C35 | C30 | N27 | 123.3° | 120.0° |
| C30 | C35 | F36 | 121.1° | 120.0° |
| C30 | N27 | C28 | 117.8° | 110.9° |
| C30 | N27 | C26 | 123.2° | 111.0° |
| OAF | CBL | NBB | 121.2° | 120.0° |
| CBL | NBB | CAX | 122.5° | 120.0° |
| CBL | NBB | H31 | 118.7° | 120.0° |
| N27 | C28 | C29 | 103.8° | 109.4° |
| C28 | N27 | C26 | 118.7° | 111.3° |
| N27 | C28 | H40 | 110.8° | 109.5° |
| N27 | C28 | H41 | 110.8° | 109.5° |
| C28 | C29 | N24 | 103.7° | 108.8° |
| C29 | C28 | H40 | 110.9° | 109.6° |
| C29 | C28 | H41 | 110.9° | 109.3° |
| C28 | C29 | H42 | 110.9° | 109.6° |
| C28 | C29 | H43 | 110.9° | 109.6° |
| N27 | C26 | C25 | 109.6° | 109.3° |
| N27 | C26 | H38 | 109.4° | 109.5° |
| N27 | C26 | H39 | 109.4° | 109.5° |
| C29 | N24 | C22 | 119.5° | 120.9° |
| C29 | N24 | C25 | 115.8° | 118.2° |
| N24 | C29 | H42 | 110.9° | 109.7° |
| N24 | C29 | H43 | 110.9° | 109.3° |
| NBB | CAX | C10 | 112.4° | 109.4° |
| CAX | NBB | H31 | 118.8° | 120.0° |
| NBB | CAX | H32 | 108.8° | 109.5° |
| NBB | CAX | H33 | 108.8° | 109.4° |
| C26 | C25 | N24 | 111.0° | 108.6° |
| C26 | C25 | H36 | 109.1° | 109.6° |
| C26 | C25 | H37 | 109.1° | 109.8° |
| C25 | C26 | H38 | 109.4° | 109.5° |
| C25 | C26 | H39 | 109.4° | 109.4° |
| CAX | C10 | C14 | 126.2° | 126.7° |
| CAX | C10 | N11 | 126.0° | 126.7° |
| C10 | CAX | H32 | 108.7° | 109.5° |
| C10 | CAX | H33 | 108.7° | 109.5° |
| C22 | N24 | C25 | 124.4° | 120.9° |
| N24 | C22 | O23 | 121.0° | 120.0° |
| N24 | C22 | O21 | 122.1° | 120.0° |
| N24 | C25 | H36 | 109.1° | 109.6° |
| N24 | C25 | H37 | 109.1° | 109.6° |
| O23 | C22 | O21 | 116.9° | 120.0° |
| C22 | O21 | C1 | 120.1° | 117.0° |
| C14 | C10 | N11 | 107.8° | 106.5° |
| C10 | C14 | N13 | 107.9° | 106.2° |
| C10 | C14 | H1 | 126.0° | 127.0° |
| C10 | N11 | N12 | 109.2° | 108.9° |
| C14 | N13 | N12 | 110.6° | 108.2° |
| C14 | N13 | C1 | 134.5° | 125.9° |
| N13 | C14 | H1 | 126.1° | 126.9° |
| N11 | N12 | N13 | 104.5° | 110.2° |
| O21 | C1 | N13 | 112.0° | 109.5° |
| O21 | C1 | H53 | 108.8° | 109.4° |
| O21 | C1 | H54 | 108.8° | 109.5° |
| N12 | N13 | C1 | 115.0° | 125.9° |
| N13 | C1 | H53 | 108.8° | 109.4° |
| N13 | C1 | H54 | 108.8° | 109.5° |
| H6 | C12 | H7 | 109.5° | 110.5° |
| H14 | CAY | H15 | 109.4° | 109.5° |
| H17 | CB | H18 | 109.4° | 109.4° |
| H27 | CBA | H28 | 109.5° | 109.5° |
| H32 | CAX | H33 | 109.5° | 109.5° |
| H36 | C25 | H37 | 109.5° | 109.6° |
| H38 | C26 | H39 | 109.5° | 109.6° |
| H40 | C28 | H41 | 109.5° | 109.6° |
| H42 | C29 | H43 | 109.5° | 109.8° |
| H47 | C17 | H48 | 109.5° | 109.4° |
| H50 | C27 | H51 | 109.5° | 109.4° |
| H50 | C27 | H52 | 109.5° | 109.5° |
| H51 | C27 | H52 | 109.5° | 109.5° |
| H53 | C1 | H54 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAP | CAS | CBO | H23 | 180.0° | 179.7° |
| CAS | CAP | CAV | H24 | 180.0° | 179.8° |
| CAP | CAS | CBO | OAI | 179.5° | 180.0° |
| CAP | CAS | CBO | CBR | 0.3° | 0.0° |
| CAS | CAP | CAV | CBU | 0.0° | 0.5° |
| CAS | CAP | CAV | H25 | 180.0° | 180.0° |
| CBO | CAS | CAP | CAV | 0.2° | 0.2° |
| CAS | CBO | OAI | CBR | 179.8° | 180.0° |
| CAS | CBO | CBR | CBU | 0.2° | 0.1° |
| CAS | CBO | CBR | OAL | 180.0° | 179.9° |
| CAS | CBO | OAI | H22 | 180.0° | 89.9° |
| CBO | CAS | CAP | H24 | 179.8° | 180.0° |
| CAP | CAV | CBU | H25 | 180.0° | 179.5° |
| CAP | CAV | CBU | CBR | 0.1° | 0.5° |
| CAP | CAV | CBU | CBJ | 179.2° | 179.8° |
| CAV | CAP | CAS | H23 | 179.7° | 180.0° |
| OAI | CBO | CBR | CBU | 179.6° | 180.0° |
| OAI | CBO | CBR | OAL | 0.2° | 0.1° |
| OAI | CBO | CAS | H23 | 0.5° | 0.3° |
| CBO | CBR | CBU | CAV | 0.0° | 0.2° |
| CBO | CBR | CBU | OAL | 179.8° | 179.9° |
| CBO | CBR | CBU | CBJ | 179.3° | 180.0° |
| CBO | CBR | OAL | H21 | 180.0° | 89.9° |
| CBR | CBO | OAI | H22 | 0.2° | 90.1° |
| CBR | CBO | CAS | H23 | 179.7° | 179.7° |
| CAV | CBU | CBR | CBJ | 179.3° | 179.7° |
| CAV | CBU | CBR | OAL | 179.8° | 179.7° |
| CAV | CBU | CBJ | OAD | 46.5° | 179.8° |
| CAV | CBU | CBJ | N | 132.4° | 0.3° |
| CBU | CAV | CAP | H24 | 180.0° | 179.7° |
| O36 | C24 | C27 | N23 | 179.7° | 180.0° |
| O36 | C24 | N23 | C17 | 178.5° | 0.0° |
| O36 | C24 | N23 | H49 | 1.5° | 180.0° |
| O36 | C24 | C27 | H50 | 0.0° | 180.0° |
| O36 | C24 | C27 | H51 | 120.0° | 60.1° |
| O36 | C24 | C27 | H52 | 120.0° | 60.0° |
| CBR | CBU | CBJ | OAD | 132.8° | 0.0° |
| CBR | CBU | CBJ | N | 48.3° | 179.9° |
| CBU | CBR | OAL | H21 | 0.2° | 90.0° |
| CBR | CBU | CAV | H25 | 179.9° | 180.0° |
| OAL | CBR | CBU | CBJ | 0.9° | 0.1° |
| CBU | CBJ | OAD | N | 178.9° | 179.9° |
| CBU | CBJ | N | CA | 167.4° | 180.0° |
| CBU | CBJ | N | H20 | 12.6° | 0.1° |
| CBJ | CBU | CAV | H25 | 0.8° | 0.2° |
| C27 | C24 | N23 | C17 | 1.8° | 180.0° |
| C27 | C24 | N23 | H49 | 178.2° | 0.0° |
| C24 | C27 | H50 | H51 | 120.0° | 119.9° |
| C24 | C27 | H50 | H52 | 120.0° | 120.0° |
| C24 | C27 | H51 | H52 | 120.0° | 120.1° |
| C24 | N23 | C17 | H49 | 180.0° | 180.0° |
| C24 | N23 | C17 | C11 | 160.0° | 180.0° |
| C24 | N23 | C17 | H47 | 39.8° | 60.0° |
| C24 | N23 | C17 | H48 | 79.7° | 60.0° |
| N23 | C24 | C27 | H50 | 179.7° | 0.1° |
| N23 | C24 | C27 | H51 | 60.3° | 120.0° |
| N23 | C24 | C27 | H52 | 59.7° | 119.9° |
| OAD | CBJ | N | CA | 11.5° | 0.1° |
| OAD | CBJ | N | H20 | 168.5° | 180.0° |
| N23 | C17 | C11 | O24 | 12.9° | 65.4° |
| N23 | C17 | C11 | H47 | 120.2° | 120.0° |
| N23 | C17 | C11 | H48 | 120.3° | 120.0° |
| N23 | C17 | C11 | C12 | 108.5° | 180.0° |
| N23 | C17 | C11 | H4 | 132.8° | 57.3° |
| N23 | C17 | H47 | H48 | 119.2° | 120.0° |
| CBJ | N | CA | H20 | 180.0° | 179.9° |
| CBJ | N | CA | C | 102.8° | 60.0° |
| CBJ | N | CA | CB | 132.6° | 60.0° |
| CBJ | N | CA | H19 | 15.4° | 180.0° |
| O24 | C8 | O13 | N1 | 179.3° | 180.0° |
| C8 | O24 | C11 | C17 | 131.7° | 118.7° |
| C8 | O24 | C11 | C12 | 7.9° | 0.0° |
| O24 | C8 | N1 | C12 | 1.8° | 0.0° |
| O24 | C8 | N1 | C33 | 176.1° | 180.0° |
| C8 | O24 | C11 | H4 | 109.0° | 118.6° |
| C11 | O24 | C8 | O13 | 173.2° | 180.0° |
| O24 | C11 | C17 | C12 | 121.4° | 114.7° |
| O24 | C11 | C17 | H4 | 120.0° | 122.7° |
| C11 | O24 | C8 | N1 | 6.2° | 0.0° |
| O24 | C11 | C12 | H4 | 117.7° | 118.6° |
| O24 | C11 | C12 | N1 | 6.7° | 0.0° |
| O24 | C11 | C12 | H6 | 125.3° | 118.6° |
| O24 | C11 | C12 | H7 | 112.0° | 118.7° |
| O24 | C11 | C17 | H47 | 107.4° | 54.7° |
| O24 | C11 | C17 | H48 | 133.1° | 174.6° |
| OAH | CBN | CAR | CBQ | 179.8° | 179.9° |
| OAH | CBN | CBQ | OAK | 0.1° | 0.1° |
| OAH | CBN | CAR | CAO | 179.9° | 180.0° |
| OAH | CBN | CBQ | CBT | 179.8° | 180.0° |
| OAH | CBN | CAR | H10 | 0.1° | 0.1° |
| O13 | C8 | N1 | C12 | 177.6° | 180.0° |
| O13 | C8 | N1 | C33 | 4.5° | 0.0° |
| C17 | C11 | C12 | H4 | 118.7° | 122.6° |
| C17 | C11 | C12 | N1 | 130.3° | 118.7° |
| C17 | C11 | C12 | H6 | 111.1° | 122.7° |
| C17 | C11 | C12 | H7 | 11.6° | 0.0° |
| C11 | C17 | H47 | H48 | 119.2° | 120.0° |
| C11 | C17 | N23 | H49 | 20.0° | 0.0° |
| O9 | C4 | C5 | C3 | 179.5° | 179.8° |
| O9 | C4 | C3 | O8 | 0.8° | 0.2° |
| O9 | C4 | C5 | C6 | 178.1° | 179.7° |
| O9 | C4 | C3 | C2 | 178.3° | 179.7° |
| O9 | C4 | C5 | H2 | 1.9° | 0.3° |
| N | CA | C | CB | 124.2° | 120.0° |
| N | CA | C | H19 | 118.6° | 120.0° |
| N | CA | CB | H19 | 117.9° | 120.0° |
| N | CA | C | NBE | 17.7° | 160.0° |
| N | CA | C | O1 | 163.1° | 20.0° |
| N | CA | CB | NBD | 75.3° | 55.0° |
| N | CA | CB | H17 | 164.1° | 175.0° |
| N | CA | CB | H18 | 45.2° | 65.1° |
| C8 | N1 | C12 | C11 | 3.0° | 0.0° |
| C8 | N1 | C12 | C33 | 177.9° | 180.0° |
| C8 | N1 | C33 | C32 | 24.6° | 0.0° |
| C8 | N1 | C33 | C34 | 155.6° | 180.0° |
| C8 | N1 | C12 | H6 | 121.6° | 118.5° |
| C8 | N1 | C12 | H7 | 115.6° | 118.6° |
| C11 | C12 | N1 | H6 | 118.6° | 118.6° |
| C11 | C12 | N1 | H7 | 118.6° | 118.6° |
| C11 | C12 | N1 | C33 | 179.1° | 180.0° |
| C11 | C12 | H6 | H7 | 123.9° | 122.7° |
| C12 | C11 | C17 | H47 | 131.2° | 60.0° |
| C12 | C11 | C17 | H48 | 11.7° | 60.0° |
| CAR | CBN | CBQ | OAK | 179.7° | 180.0° |
| CBN | CAR | CAO | H10 | 180.0° | 179.8° |
| CAR | CBN | CBQ | CBT | 0.3° | 0.1° |
| CBN | CAR | CAO | CAU | 0.1° | 0.1° |
| CAR | CBN | OAH | H9 | 180.0° | 90.1° |
| CBN | CAR | CAO | H11 | 179.9° | 179.9° |
| CBN | CBQ | OAK | CBT | 180.0° | 179.9° |
| CBQ | CBN | CAR | CAO | 0.1° | 0.1° |
| CBN | CBQ | CBT | CAU | 0.6° | 0.1° |
| CBN | CBQ | CBT | CBI | 177.7° | 179.7° |
| CBN | CBQ | OAK | H8 | 180.0° | 90.1° |
| CBQ | CBN | OAH | H9 | 0.2° | 90.1° |
| CBQ | CBN | CAR | H10 | 179.9° | 180.0° |
| C5 | C4 | C3 | O8 | 179.7° | 180.0° |
| C4 | C5 | C6 | H2 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 1.2° | 0.0° |
| C4 | C5 | C6 | C7 | 0.0° | 0.1° |
| C4 | C5 | C6 | H3 | 180.0° | 180.0° |
| C5 | C4 | O9 | H35 | 180.0° | 90.0° |
| C4 | C3 | O8 | C2 | 179.1° | 180.0° |
| C3 | C4 | C5 | C6 | 1.4° | 0.0° |
| C4 | C3 | C2 | C7 | 0.4° | 0.0° |
| C4 | C3 | C2 | CBK | 177.3° | 180.0° |
| C3 | C4 | C5 | H2 | 178.6° | 179.9° |
| C4 | C3 | O8 | H34 | 180.0° | 90.1° |
| C3 | C4 | O9 | H35 | 0.5° | 90.3° |
| O8 | C3 | C2 | C7 | 178.7° | 180.0° |
| O8 | C3 | C2 | CBK | 1.8° | 0.0° |
| C | CA | CB | H19 | 117.4° | 120.0° |
| CA | C | NBE | O1 | 179.1° | 180.0° |
| CA | C | NBE | CBA | 171.7° | 180.0° |
| C | CA | CB | NBD | 49.4° | 175.0° |
| C | CA | CB | H17 | 71.2° | 65.0° |
| C | CA | CB | H18 | 169.9° | 54.9° |
| C | CA | N | H20 | 77.2° | 120.0° |
| CA | C | NBE | H26 | 8.3° | 0.1° |
| CB | CA | C | NBE | 106.5° | 80.0° |
| CB | CA | C | O1 | 72.7° | 100.0° |
| CA | CB | NBD | H17 | 120.5° | 120.0° |
| CA | CB | NBD | H18 | 120.6° | 120.0° |
| CA | CB | NBD | CBH | 138.6° | 180.0° |
| CA | CB | NBD | H16 | 41.4° | 0.0° |
| CA | CB | H17 | H18 | 118.4° | 120.0° |
| CB | CA | N | H20 | 47.3° | 119.9° |
| OAK | CBQ | CBT | CAU | 179.4° | 180.0° |
| OAK | CBQ | CBT | CBI | 2.3° | 0.4° |
| C12 | N1 | C33 | C32 | 153.1° | 180.0° |
| C12 | N1 | C33 | C34 | 26.7° | 0.0° |
| N1 | C12 | C11 | H4 | 111.1° | 118.7° |
| N1 | C12 | H6 | H7 | 123.9° | 123.0° |
| N1 | C33 | C32 | C34 | 179.8° | 180.0° |
| N1 | C33 | C32 | C31 | 179.9° | 180.0° |
| N1 | C33 | C34 | C35 | 179.8° | 180.0° |
| C33 | N1 | C12 | H6 | 60.5° | 61.5° |
| C33 | N1 | C12 | H7 | 62.3° | 61.4° |
| N1 | C33 | C32 | H45 | 0.1° | 0.0° |
| N1 | C33 | C34 | H46 | 0.2° | 0.1° |
| C5 | C6 | C7 | C2 | 1.6° | 0.1° |
| C5 | C6 | C7 | H3 | 180.0° | 180.0° |
| C5 | C6 | C7 | H5 | 178.4° | 180.0° |
| C3 | C2 | C7 | CBK | 177.0° | 180.0° |
| C3 | C2 | C7 | C6 | 1.8° | 0.0° |
| C3 | C2 | CBK | NBG | 19.6° | 180.0° |
| C3 | C2 | CBK | OAE | 159.3° | 0.0° |
| C3 | C2 | C7 | H5 | 178.1° | 180.0° |
| C2 | C3 | O8 | H34 | 0.9° | 89.9° |
| CAR | CAO | CAU | H11 | 180.0° | 179.9° |
| CAR | CAO | CAU | CBT | 0.4° | 0.1° |
| CAR | CAO | CAU | H12 | 179.6° | 179.7° |
| C | NBE | CBA | H26 | 180.0° | 179.9° |
| C | NBE | CBA | CBX | 106.1° | 180.0° |
| NBE | C | CA | H19 | 136.3° | 40.0° |
| C | NBE | CBA | H27 | 133.5° | 60.0° |
| C | NBE | CBA | H28 | 14.2° | 60.0° |
| CBA | NBE | C | O1 | 7.4° | 0.0° |
| NBE | CBA | CBX | H27 | 120.3° | 120.0° |
| NBE | CBA | CBX | H28 | 120.3° | 119.9° |
| NBE | CBA | CBX | NBG | 54.3° | 55.0° |
| NBE | CBA | CBX | CBL | 74.8° | 175.0° |
| NBE | CBA | H27 | H28 | 119.0° | 120.0° |
| NBE | CBA | CBX | H29 | 170.6° | 65.0° |
| CBQ | CBT | CAU | CAO | 0.6° | 0.1° |
| CBQ | CBT | CAU | CBI | 177.1° | 179.6° |
| CBQ | CBT | CBI | NBC | 15.0° | 179.7° |
| CBQ | CBT | CBI | OAC | 159.3° | 0.4° |
| CBT | CBQ | OAK | H8 | 0.1° | 90.0° |
| CBQ | CBT | CAU | H12 | 179.3° | 179.7° |
| O1 | C | CA | H19 | 44.6° | 140.0° |
| O1 | C | NBE | H26 | 172.6° | 180.0° |
| C33 | C32 | C31 | H45 | 180.0° | 180.0° |
| C33 | C32 | C31 | C30 | 0.7° | 0.0° |
| C32 | C33 | C34 | C35 | 0.4° | 0.0° |
| C33 | C32 | C31 | H44 | 179.3° | 180.0° |
| C32 | C33 | C34 | H46 | 179.6° | 179.9° |
| C31 | C32 | C33 | C34 | 0.1° | 0.0° |
| C32 | C31 | C30 | H44 | 180.0° | 180.0° |
| C32 | C31 | C30 | C35 | 1.3° | 0.0° |
| C32 | C31 | C30 | N27 | 179.0° | 179.8° |
| CB | NBD | CBH | OAB | 2.7° | 0.0° |
| CB | NBD | CBH | H16 | 180.0° | 180.0° |
| CB | NBD | CBH | CAY | 178.2° | 180.0° |
| NBD | CB | H17 | H18 | 118.4° | 120.0° |
| NBD | CB | CA | H19 | 166.8° | 65.0° |
| CBA | CBX | NBG | CBK | 161.5° | 60.0° |
| CBA | CBX | NBG | CBL | 127.4° | 120.0° |
| CBA | CBX | NBG | H29 | 115.9° | 120.1° |
| CBA | CBX | CBL | H29 | 114.5° | 120.0° |
| CBA | CBX | CBL | OAF | 86.7° | 100.0° |
| CBA | CBX | CBL | NBB | 95.8° | 80.0° |
| CBX | CBA | NBE | H26 | 73.9° | 0.0° |
| CBX | CBA | H27 | H28 | 119.0° | 120.1° |
| CBA | CBX | NBG | H30 | 18.5° | 120.0° |
| C33 | C34 | C35 | H46 | 180.0° | 179.9° |
| C33 | C34 | C35 | C30 | 0.1° | 0.0° |
| C33 | C34 | C35 | F36 | 179.0° | 179.8° |
| C34 | C33 | C32 | H45 | 179.9° | 179.9° |
| C2 | C7 | C6 | H5 | 180.0° | 179.9° |
| C7 | C2 | CBK | NBG | 163.5° | 0.0° |
| C7 | C2 | CBK | OAE | 17.5° | 180.0° |
| C2 | C7 | C6 | H3 | 178.4° | 180.0° |
| CBK | C2 | C7 | C6 | 178.8° | 180.0° |
| C2 | CBK | NBG | OAE | 178.9° | 180.0° |
| C2 | CBK | NBG | CBX | 177.6° | 180.0° |
| CBK | C2 | C7 | H5 | 1.1° | 0.0° |
| C2 | CBK | NBG | H30 | 2.4° | 0.0° |
| C7 | C6 | C5 | H2 | 180.0° | 179.9° |
| CBK | NBG | CBX | H30 | 180.0° | 180.0° |
| CBK | NBG | CBX | CBL | 71.1° | 60.0° |
| CBK | NBG | CBX | H29 | 45.6° | 180.0° |
| CBX | NBG | CBK | OAE | 3.5° | 0.0° |
| NBG | CBX | CBL | H29 | 117.0° | 119.9° |
| NBG | CBX | CBL | OAF | 41.8° | 20.0° |
| NBG | CBX | CBL | NBB | 135.7° | 160.0° |
| NBG | CBX | CBA | H27 | 66.0° | 175.0° |
| NBG | CBX | CBA | H28 | 174.6° | 64.9° |
| OAB | CBH | NBD | CAY | 179.1° | 180.0° |
| OAB | CBH | CAY | NBC | 42.9° | 0.1° |
| OAB | CBH | CAY | H14 | 163.1° | 120.0° |
| OAB | CBH | CAY | H15 | 77.3° | 120.0° |
| OAB | CBH | NBD | H16 | 177.3° | 180.0° |
| CAO | CAU | CBT | H12 | 180.0° | 179.8° |
| CAO | CAU | CBT | CBI | 177.7° | 179.7° |
| CAU | CAO | CAR | H10 | 179.9° | 180.0° |
| NBD | CBH | CAY | NBC | 136.3° | 180.0° |
| NBD | CBH | CAY | H14 | 16.1° | 60.1° |
| NBD | CBH | CAY | H15 | 103.6° | 60.0° |
| CBH | NBD | CB | H17 | 100.9° | 60.0° |
| CBH | NBD | CB | H18 | 18.0° | 60.0° |
| C31 | C30 | C35 | C34 | 1.0° | 0.0° |
| C31 | C30 | C35 | N27 | 177.6° | 179.8° |
| C31 | C30 | C35 | F36 | 179.9° | 179.8° |
| C31 | C30 | N27 | C28 | 32.5° | 64.0° |
| C31 | C30 | N27 | C26 | 141.1° | 60.2° |
| C30 | C31 | C32 | H45 | 179.3° | 180.0° |
| OAE | CBK | NBG | H30 | 176.5° | 180.0° |
| CAU | CBT | CBI | NBC | 167.9° | 0.0° |
| CAU | CBT | CBI | OAC | 17.7° | 180.0° |
| CBT | CAU | CAO | H11 | 179.6° | 180.0° |
| CBT | CBI | NBC | OAC | 174.2° | 180.0° |
| CBT | CBI | NBC | CAY | 162.7° | 179.9° |
| CBI | CBT | CAU | H12 | 2.3° | 0.1° |
| CBT | CBI | NBC | H13 | 17.3° | 0.0° |
| CBX | CBL | OAF | NBB | 177.4° | 180.0° |
| CBX | CBL | NBB | CAX | 175.4° | 180.0° |
| CBL | CBX | CBA | H27 | 164.9° | 65.0° |
| CBL | CBX | CBA | H28 | 45.5° | 55.0° |
| CBL | CBX | NBG | H30 | 108.9° | 120.0° |
| CBX | CBL | NBB | H31 | 4.6° | 0.1° |
| CBH | CAY | NBC | CBI | 97.6° | 180.0° |
| CBH | CAY | NBC | H14 | 120.2° | 119.9° |
| CBH | CAY | NBC | H15 | 120.2° | 120.1° |
| CBH | CAY | NBC | H13 | 82.4° | 0.1° |
| CBH | CAY | H14 | H15 | 119.4° | 120.1° |
| CAY | CBH | NBD | H16 | 1.8° | 0.1° |
| CBI | NBC | CAY | H13 | 180.0° | 179.9° |
| CBI | NBC | CAY | H14 | 142.2° | 60.1° |
| CBI | NBC | CAY | H15 | 22.6° | 59.9° |
| CAY | NBC | CBI | OAC | 11.6° | 0.0° |
| NBC | CAY | H14 | H15 | 119.4° | 120.0° |
| C34 | C35 | C30 | F36 | 178.9° | 179.8° |
| C34 | C35 | C30 | N27 | 178.6° | 179.8° |
| OAC | CBI | NBC | H13 | 168.4° | 180.0° |
| C35 | C30 | N27 | C28 | 145.1° | 115.7° |
| C35 | C30 | N27 | C26 | 41.3° | 120.0° |
| C35 | C30 | C31 | H44 | 178.8° | 179.9° |
| C30 | C35 | C34 | H46 | 179.9° | 179.9° |
| N27 | C30 | C35 | F36 | 2.5° | 0.0° |
| C30 | N27 | C28 | C26 | 173.9° | 124.1° |
| C30 | N27 | C28 | C29 | 138.2° | 172.9° |
| C30 | N27 | C26 | C25 | 161.8° | 172.8° |
| C30 | N27 | C26 | H38 | 78.2° | 52.8° |
| C30 | N27 | C26 | H39 | 41.8° | 67.3° |
| C30 | N27 | C28 | H40 | 102.7° | 52.8° |
| C30 | N27 | C28 | H41 | 19.1° | 67.3° |
| N27 | C30 | C31 | H44 | 1.0° | 0.3° |
| OAF | CBL | NBB | CAX | 2.1° | 0.1° |
| OAF | CBL | CBX | H29 | 158.8° | 140.0° |
| OAF | CBL | NBB | H31 | 177.9° | 179.9° |
| CBL | NBB | CAX | H31 | 180.0° | 179.9° |
| CBL | NBB | CAX | C10 | 104.5° | 180.0° |
| NBB | CBL | CBX | H29 | 18.7° | 40.1° |
| CBL | NBB | CAX | H32 | 135.1° | 60.0° |
| CBL | NBB | CAX | H33 | 15.9° | 60.0° |
| F36 | C35 | C34 | H46 | 1.0° | 0.3° |
| N27 | C28 | C29 | H40 | 119.1° | 120.0° |
| N27 | C28 | C29 | H41 | 119.1° | 119.9° |
| N27 | C28 | C29 | N24 | 74.8° | 53.6° |
| C28 | N27 | C26 | C25 | 24.6° | 63.1° |
| C28 | N27 | C26 | H38 | 95.4° | 176.9° |
| C28 | N27 | C26 | H39 | 144.7° | 56.8° |
| N27 | C28 | H40 | H41 | 122.6° | 120.1° |
| N27 | C28 | C29 | H42 | 166.1° | 173.6° |
| N27 | C28 | C29 | H43 | 44.3° | 65.9° |
| C29 | C28 | N27 | C26 | 35.7° | 63.0° |
| C28 | C29 | N24 | H42 | 119.1° | 120.0° |
| C28 | C29 | N24 | H43 | 119.1° | 119.7° |
| C28 | C29 | N24 | C22 | 122.5° | 128.9° |
| C28 | C29 | N24 | C25 | 52.3° | 50.8° |
| C29 | C28 | H40 | H41 | 122.6° | 119.9° |
| C28 | C29 | H42 | H43 | 122.7° | 120.5° |
| N27 | C26 | C25 | H38 | 120.0° | 120.0° |
| N27 | C26 | C25 | H39 | 120.0° | 119.9° |
| N27 | C26 | C25 | N24 | 48.8° | 53.8° |
| N27 | C26 | C25 | H36 | 169.0° | 65.9° |
| N27 | C26 | C25 | H37 | 71.5° | 173.6° |
| N27 | C26 | H38 | H39 | 119.9° | 120.1° |
| C26 | N27 | C28 | H40 | 83.4° | 176.9° |
| C26 | N27 | C28 | H41 | 154.8° | 56.8° |
| C29 | N24 | C25 | C26 | 9.2° | 50.9° |
| C29 | N24 | C22 | C25 | 174.3° | 179.7° |
| C29 | N24 | C22 | O23 | 20.4° | 179.7° |
| C29 | N24 | C22 | O21 | 159.3° | 0.3° |
| C29 | N24 | C25 | H36 | 129.5° | 68.8° |
| C29 | N24 | C25 | H37 | 111.0° | 170.8° |
| N24 | C29 | C28 | H40 | 44.3° | 173.6° |
| N24 | C29 | C28 | H41 | 166.1° | 66.3° |
| N24 | C29 | H42 | H43 | 122.7° | 120.1° |
| NBB | CAX | C10 | H32 | 120.4° | 120.0° |
| NBB | CAX | C10 | H33 | 120.4° | 119.9° |
| NBB | CAX | C10 | C14 | 83.4° | 95.0° |
| NBB | CAX | C10 | N11 | 101.0° | 85.1° |
| NBB | CAX | H32 | H33 | 118.7° | 120.0° |
| C26 | C25 | N24 | C22 | 176.3° | 128.8° |
| C26 | C25 | N24 | H36 | 120.2° | 119.7° |
| C26 | C25 | N24 | H37 | 120.2° | 119.9° |
| C26 | C25 | H36 | H37 | 119.3° | 120.6° |
| C25 | C26 | H38 | H39 | 119.9° | 120.0° |
| CAX | C10 | C14 | N11 | 176.2° | 179.9° |
| CAX | C10 | C14 | N13 | 177.6° | 180.0° |
| CAX | C10 | N11 | N12 | 177.6° | 180.0° |
| CAX | C10 | C14 | H1 | 2.4° | 0.3° |
| C10 | CAX | NBB | H31 | 75.5° | 0.1° |
| C10 | CAX | H32 | H33 | 118.6° | 120.0° |
| N24 | C22 | O23 | O21 | 179.8° | 179.9° |
| N24 | C22 | O21 | C1 | 175.6° | 180.0° |
| C22 | N24 | C25 | H36 | 56.1° | 111.5° |
| C22 | N24 | C25 | H37 | 63.5° | 8.9° |
| C22 | N24 | C29 | H42 | 3.4° | 8.9° |
| C22 | N24 | C29 | H43 | 118.4° | 111.4° |
| C25 | N24 | C22 | O23 | 153.9° | 0.0° |
| C25 | N24 | C22 | O21 | 26.4° | 180.0° |
| N24 | C25 | H36 | H37 | 119.3° | 120.3° |
| N24 | C25 | C26 | H38 | 71.3° | 173.8° |
| N24 | C25 | C26 | H39 | 168.8° | 66.1° |
| C25 | N24 | C29 | H42 | 171.3° | 170.8° |
| C25 | N24 | C29 | H43 | 66.8° | 68.8° |
| O23 | C22 | O21 | C1 | 4.6° | 0.1° |
| C22 | O21 | C1 | N13 | 60.3° | 180.0° |
| C22 | O21 | C1 | H53 | 179.3° | 60.1° |
| C22 | O21 | C1 | H54 | 60.1° | 60.0° |
| C10 | C14 | N13 | H1 | 180.0° | 179.7° |
| C14 | C10 | N11 | N12 | 1.4° | 0.0° |
| C10 | C14 | N13 | N12 | 0.8° | 0.0° |
| C10 | C14 | N13 | C1 | 178.7° | 179.7° |
| C14 | C10 | CAX | H32 | 156.1° | 144.9° |
| C14 | C10 | CAX | H33 | 37.0° | 24.9° |
| N11 | C10 | C14 | N13 | 1.4° | 0.0° |
| C10 | N11 | N12 | N13 | 0.9° | 0.0° |
| N11 | C10 | C14 | H1 | 178.6° | 179.7° |
| N11 | C10 | CAX | H32 | 19.5° | 35.0° |
| N11 | C10 | CAX | H33 | 138.6° | 155.0° |
| C14 | N13 | N12 | N11 | 0.0° | 0.0° |
| C14 | N13 | C1 | O21 | 2.2° | 0.1° |
| C14 | N13 | N12 | C1 | 179.7° | 179.7° |
| C14 | N13 | C1 | H53 | 122.6° | 120.0° |
| C14 | N13 | C1 | H54 | 118.2° | 120.0° |
| N11 | N12 | N13 | C1 | 179.7° | 179.7° |
| O21 | C1 | N13 | N12 | 178.2° | 179.7° |
| O21 | C1 | N13 | H53 | 120.4° | 119.9° |
| O21 | C1 | N13 | H54 | 120.4° | 120.0° |
| O21 | C1 | H53 | H54 | 118.8° | 120.0° |
| N12 | N13 | C14 | H1 | 179.2° | 179.7° |
| N12 | N13 | C1 | H53 | 57.8° | 60.3° |
| N12 | N13 | C1 | H54 | 61.4° | 59.7° |
| C1 | N13 | C14 | H1 | 1.2° | 0.0° |
| N13 | C1 | H53 | H54 | 118.8° | 120.0° |
| H2 | C5 | C6 | H3 | 0.0° | 0.0° |
| H3 | C6 | C7 | H5 | 1.6° | 0.0° |
| H4 | C11 | C12 | H6 | 7.6° | 0.1° |
| H4 | C11 | C12 | H7 | 130.3° | 122.6° |
| H4 | C11 | C17 | H47 | 12.6° | 177.4° |
| H4 | C11 | C17 | H48 | 106.9° | 62.7° |
| H10 | CAR | CAO | H11 | 0.1° | 0.1° |
| H11 | CAO | CAU | H12 | 0.4° | 0.2° |
| H13 | NBC | CAY | H14 | 37.8° | 120.0° |
| H13 | NBC | CAY | H15 | 157.4° | 120.0° |
| H16 | NBD | CB | H17 | 79.1° | 120.1° |
| H16 | NBD | CB | H18 | 162.0° | 120.0° |
| H17 | CB | CA | H19 | 46.3° | 55.0° |
| H18 | CB | CA | H19 | 72.7° | 174.9° |
| H19 | CA | N | H20 | 164.6° | 0.1° |
| H23 | CAS | CAP | H24 | 0.2° | 0.2° |
| H24 | CAP | CAV | H25 | 0.0° | 0.2° |
| H26 | NBE | CBA | H27 | 46.4° | 120.0° |
| H26 | NBE | CBA | H28 | 165.8° | 119.9° |
| H27 | CBA | CBX | H29 | 50.3° | 55.0° |
| H28 | CBA | CBX | H29 | 69.1° | 175.0° |
| H29 | CBX | NBG | H30 | 134.4° | 0.1° |
| H31 | NBB | CAX | H32 | 44.9° | 119.9° |
| H31 | NBB | CAX | H33 | 164.1° | 120.1° |
| H36 | C25 | C26 | H38 | 48.9° | 54.1° |
| H36 | C25 | C26 | H39 | 71.0° | 174.2° |
| H37 | C25 | C26 | H38 | 168.5° | 66.4° |
| H37 | C25 | C26 | H39 | 48.5° | 53.7° |
| H40 | C28 | C29 | H42 | 74.8° | 66.4° |
| H40 | C28 | C29 | H43 | 163.3° | 54.2° |
| H41 | C28 | C29 | H42 | 47.1° | 53.7° |
| H41 | C28 | C29 | H43 | 74.8° | 174.2° |
| H44 | C31 | C32 | H45 | 0.7° | 0.0° |
| H47 | C17 | N23 | H49 | 140.2° | 120.0° |
| H48 | C17 | N23 | H49 | 100.3° | 120.0° |
| H50 | C27 | H51 | H52 | 120.0° | 120.0° |
