DWE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAK | CAL | doub | 1.38Å | 1.39Å | Aromatic |
| CAK | CAM | sing | 1.38Å | 1.39Å | Aromatic |
| CAL | CBP | sing | 1.39Å | 1.40Å | Aromatic |
| OAC | CBN | doub | 1.21Å | 1.23Å | |
| CAM | CBQ | doub | 1.40Å | 1.40Å | Aromatic |
| CBN | CBC | sing | 1.51Å | 1.52Å | |
| CBN | NBG | sing | 1.35Å | 1.36Å | |
| CBP | NBG | sing | 1.40Å | 1.33Å | |
| CBP | CAP | doub | 1.39Å | 1.40Å | Aromatic |
| CBC | OBK | sing | 1.43Å | 1.44Å | |
| CBQ | CAP | sing | 1.40Å | 1.40Å | Aromatic |
| CBQ | CBO | sing | 1.48Å | 1.40Å | |
| NBF | CBO | sing | 1.35Å | 1.35Å | |
| NBF | CAT | sing | 1.46Å | 1.46Å | |
| OBK | CBR | sing | 1.36Å | 1.36Å | |
| CBO | OAD | doub | 1.22Å | 1.23Å | |
| CAT | CAU | sing | 1.53Å | 1.53Å | |
| OAH | PBT | doub | 1.48Å | 1.60Å | |
| CAX | CAY | sing | 1.53Å | 1.52Å | |
| CAX | OBI | sing | 1.43Å | 1.41Å | |
| CBR | CAN | doub | 1.39Å | 1.40Å | Aromatic |
| CBR | CBS | sing | 1.39Å | 1.40Å | Aromatic |
| CAU | OBH | sing | 1.43Å | 1.43Å | |
| CAN | CAI | sing | 1.38Å | 1.39Å | Aromatic |
| CAW | OBI | sing | 1.43Å | 1.44Å | |
| CAW | CAV | sing | 1.53Å | 1.54Å | |
| OAE | PBT | sing | 1.61Å | 1.48Å | |
| CAY | OBJ | sing | 1.43Å | 1.45Å | |
| PBT | CBS | sing | 1.81Å | 1.75Å | |
| PBT | OAG | sing | 1.61Å | 1.60Å | |
| CBS | CAO | doub | 1.38Å | 1.40Å | Aromatic |
| OBH | CAV | sing | 1.43Å | 1.42Å | |
| CAI | CAJ | doub | 1.38Å | 1.39Å | Aromatic |
| OBJ | CAZ | sing | 1.43Å | 1.42Å | |
| CAZ | CBB | sing | 1.53Å | 1.56Å | |
| CBB | CBM | sing | 1.51Å | 1.53Å | |
| CAO | CAJ | sing | 1.38Å | 1.40Å | Aromatic |
| CBM | OAB | doub | 1.21Å | 1.23Å | |
| CBM | NBE | sing | 1.35Å | 1.36Å | |
| NBE | CAS | sing | 1.47Å | 1.46Å | |
| CAS | CAR | sing | 1.53Å | 1.52Å | |
| CAR | NBD | sing | 1.47Å | 1.47Å | |
| OAG | H1 | sing | 0.97Å | 0.95Å | |
| OAE | H2 | sing | 0.97Å | 0.95Å | |
| CAO | H3 | sing | 1.08Å | 1.08Å | |
| CAJ | H4 | sing | 1.08Å | 1.08Å | |
| CAI | H5 | sing | 1.08Å | 1.08Å | |
| CAN | H6 | sing | 1.08Å | 1.08Å | |
| CBC | H7 | sing | 1.09Å | 1.10Å | |
| CBC | H8 | sing | 1.09Å | 1.10Å | |
| NBG | H9 | sing | 0.97Å | 1.00Å | |
| CAP | H10 | sing | 1.08Å | 1.08Å | |
| CAL | H11 | sing | 1.08Å | 1.08Å | |
| CAK | H12 | sing | 1.08Å | 1.08Å | |
| CAM | H13 | sing | 1.08Å | 1.08Å | |
| NBF | H14 | sing | 0.97Å | 1.00Å | |
| CAT | H15 | sing | 1.09Å | 1.10Å | |
| CAT | H16 | sing | 1.09Å | 1.10Å | |
| CAU | H17 | sing | 1.09Å | 1.10Å | |
| CAU | H18 | sing | 1.09Å | 1.10Å | |
| CAV | H19 | sing | 1.09Å | 1.10Å | |
| CAV | H20 | sing | 1.09Å | 1.10Å | |
| CAW | H21 | sing | 1.09Å | 1.10Å | |
| CAW | H22 | sing | 1.09Å | 1.10Å | |
| CAX | H23 | sing | 1.09Å | 1.10Å | |
| CAX | H24 | sing | 1.09Å | 1.10Å | |
| CAY | H25 | sing | 1.09Å | 1.10Å | |
| CAY | H26 | sing | 1.09Å | 1.10Å | |
| CAZ | H27 | sing | 1.09Å | 1.10Å | |
| CAZ | H28 | sing | 1.09Å | 1.10Å | |
| CBB | H29 | sing | 1.09Å | 1.10Å | |
| CBB | H30 | sing | 1.09Å | 1.10Å | |
| NBE | H31 | sing | 0.97Å | 1.00Å | |
| CAS | H32 | sing | 1.09Å | 1.10Å | |
| CAS | H33 | sing | 1.09Å | 1.10Å | |
| CAR | H34 | sing | 1.09Å | 1.10Å | |
| CAR | H35 | sing | 1.09Å | 1.10Å | |
| NBD | H36 | sing | 0.97Å | 1.00Å | |
| NBD | C1 | sing | 1.35Å | 20.89Å | |
| C1 | C2 | sing | 1.51Å | 0.00Å | |
| C1 | O1 | doub | 1.21Å | 0.00Å | |
| C2 | C3 | sing | 1.53Å | 0.00Å | |
| C3 | O2 | sing | 1.43Å | 0.00Å | |
| O2 | C5 | sing | 1.43Å | 0.00Å | |
| C5 | C6 | sing | 1.53Å | 0.00Å | |
| C6 | O3 | sing | 1.43Å | 0.00Å | |
| O3 | C8 | sing | 1.43Å | 0.00Å | |
| C8 | C9 | sing | 1.53Å | 0.00Å | |
| C9 | O4 | sing | 1.43Å | 0.00Å | |
| O4 | C7 | sing | 1.43Å | 0.00Å | |
| C7 | C10 | sing | 1.53Å | 0.00Å | |
| C10 | N1 | sing | 1.46Å | 0.00Å | |
| C2 | H37 | sing | 1.09Å | 0.00Å | |
| C2 | H38 | sing | 1.09Å | 0.00Å | |
| C3 | H39 | sing | 1.09Å | 0.00Å | |
| C3 | H40 | sing | 1.09Å | 0.00Å | |
| C5 | H41 | sing | 1.09Å | 0.00Å | |
| C5 | H42 | sing | 1.09Å | 0.00Å | |
| C6 | H43 | sing | 1.09Å | 0.00Å | |
| C6 | H44 | sing | 1.09Å | 0.00Å | |
| C8 | H45 | sing | 1.09Å | 0.00Å | |
| C8 | H46 | sing | 1.09Å | 0.00Å | |
| C9 | H47 | sing | 1.09Å | 0.00Å | |
| C9 | H48 | sing | 1.09Å | 0.00Å | |
| C7 | H49 | sing | 1.09Å | 0.00Å | |
| C7 | H50 | sing | 1.09Å | 0.00Å | |
| C10 | H51 | sing | 1.09Å | 0.00Å | |
| C10 | H52 | sing | 1.09Å | 0.00Å | |
| N1 | H53 | sing | 0.97Å | 0.00Å | |
| N1 | C4 | sing | 1.35Å | 0.00Å | |
| C4 | C11 | sing | 1.48Å | 0.00Å | |
| C11 | C12 | sing | 1.40Å | 0.00Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 0.00Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 0.00Å | Aromatic |
| C14 | C15 | doub | 1.39Å | 0.00Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 0.00Å | Aromatic |
| C16 | C11 | doub | 1.40Å | 0.00Å | Aromatic |
| C4 | O5 | doub | 1.22Å | 0.00Å | |
| C14 | N2 | sing | 1.39Å | 0.00Å | |
| N2 | C18 | sing | 1.35Å | 0.00Å | |
| C18 | C19 | sing | 1.51Å | 0.00Å | |
| C19 | O6 | sing | 1.43Å | 0.00Å | |
| C18 | O7 | doub | 1.21Å | 0.00Å | |
| O6 | C17 | sing | 1.36Å | 0.00Å | |
| C17 | C20 | sing | 1.39Å | 0.00Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 0.00Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 0.00Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 0.00Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 0.00Å | Aromatic |
| C24 | C17 | doub | 1.39Å | 0.00Å | Aromatic |
| C24 | P1 | sing | 1.81Å | 0.00Å | |
| P1 | O8 | doub | 1.48Å | 0.00Å | |
| P1 | O10 | sing | 1.61Å | 0.00Å | |
| P1 | O9 | sing | 1.61Å | 0.00Å | |
| C12 | H54 | sing | 1.08Å | 0.00Å | |
| C13 | H55 | sing | 1.08Å | 0.00Å | |
| C15 | H56 | sing | 1.08Å | 0.00Å | |
| C16 | H57 | sing | 1.08Å | 0.00Å | |
| N2 | H58 | sing | 0.97Å | 0.00Å | |
| C19 | H59 | sing | 1.09Å | 0.00Å | |
| C19 | H60 | sing | 1.09Å | 0.00Å | |
| C20 | H61 | sing | 1.08Å | 0.00Å | |
| C21 | H62 | sing | 1.08Å | 0.00Å | |
| C22 | H63 | sing | 1.08Å | 0.00Å | |
| C23 | H64 | sing | 1.08Å | 0.00Å | |
| O10 | H65 | sing | 0.97Å | 0.00Å | |
| O9 | H66 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAL | CAK | CAM | 119.6° | 120.3° |
| CAK | CAL | CBP | 120.4° | 120.2° |
| CAK | CAL | H11 | 119.8° | 119.9° |
| CAL | CAK | H12 | 120.2° | 119.8° |
| CAK | CAM | CBQ | 121.1° | 120.0° |
| CAM | CAK | H12 | 120.2° | 119.9° |
| CAK | CAM | H13 | 119.4° | 120.0° |
| CAL | CBP | NBG | 120.1° | 120.0° |
| CAL | CBP | CAP | 119.7° | 120.0° |
| CBP | CAL | H11 | 119.8° | 119.9° |
| OAC | CBN | CBC | 118.7° | 120.0° |
| OAC | CBN | NBG | 125.9° | 120.1° |
| CAM | CBQ | CAP | 118.5° | 119.8° |
| CAM | CBQ | CBO | 121.4° | 120.1° |
| CBQ | CAM | H13 | 119.4° | 120.0° |
| CBC | CBN | NBG | 115.4° | 120.0° |
| CBN | CBC | OBK | 109.6° | 109.4° |
| CBN | CBC | H7 | 109.4° | 109.4° |
| CBN | CBC | H8 | 109.4° | 109.5° |
| CBN | NBG | CBP | 120.3° | 120.0° |
| CBN | NBG | H9 | 119.8° | 120.0° |
| NBG | CBP | CAP | 120.2° | 120.0° |
| CBP | NBG | H9 | 119.9° | 120.0° |
| CBP | CAP | CBQ | 120.7° | 119.8° |
| CBP | CAP | H10 | 119.7° | 120.1° |
| CBC | OBK | CBR | 115.2° | 117.0° |
| OBK | CBC | H7 | 109.4° | 109.5° |
| OBK | CBC | H8 | 109.4° | 109.5° |
| CAP | CBQ | CBO | 120.1° | 120.1° |
| CBQ | CAP | H10 | 119.7° | 120.1° |
| CBQ | CBO | NBF | 116.5° | 120.0° |
| CBQ | CBO | OAD | 120.2° | 120.0° |
| CBO | NBF | CAT | 123.6° | 120.0° |
| NBF | CBO | OAD | 123.2° | 120.1° |
| CBO | NBF | H14 | 118.2° | 120.0° |
| NBF | CAT | CAU | 106.5° | 109.5° |
| CAT | NBF | H14 | 118.2° | 120.0° |
| NBF | CAT | H15 | 110.2° | 109.5° |
| NBF | CAT | H16 | 110.2° | 109.5° |
| OBK | CBR | CAN | 122.8° | 120.1° |
| OBK | CBR | CBS | 116.5° | 120.1° |
| CAT | CAU | OBH | 110.3° | 109.4° |
| CAU | CAT | H15 | 110.2° | 109.5° |
| CAU | CAT | H16 | 110.2° | 109.4° |
| CAT | CAU | H17 | 109.2° | 109.5° |
| CAT | CAU | H18 | 109.3° | 109.5° |
| OAH | PBT | OAE | 107.8° | 109.4° |
| OAH | PBT | CBS | 108.6° | 109.5° |
| OAH | PBT | OAG | 102.4° | 109.5° |
| CAY | CAX | OBI | 105.5° | 109.4° |
| CAX | CAY | OBJ | 111.0° | 109.5° |
| CAY | CAX | H23 | 110.4° | 109.5° |
| CAY | CAX | H24 | 110.4° | 109.4° |
| CAX | CAY | H25 | 109.1° | 109.5° |
| CAX | CAY | H26 | 109.1° | 109.5° |
| CAX | OBI | CAW | 109.3° | 114.0° |
| OBI | CAX | H23 | 110.5° | 109.5° |
| OBI | CAX | H24 | 110.5° | 109.5° |
| CAN | CBR | CBS | 120.7° | 119.9° |
| CBR | CAN | CAI | 119.5° | 120.0° |
| CBR | CAN | H6 | 120.3° | 120.0° |
| CBR | CBS | PBT | 120.7° | 120.0° |
| CBR | CBS | CAO | 119.2° | 119.9° |
| CAU | OBH | CAV | 112.3° | 114.0° |
| OBH | CAU | H17 | 109.3° | 109.5° |
| OBH | CAU | H18 | 109.3° | 109.5° |
| CAN | CAI | CAJ | 120.1° | 120.1° |
| CAN | CAI | H5 | 119.9° | 119.9° |
| CAI | CAN | H6 | 120.2° | 120.1° |
| OBI | CAW | CAV | 109.9° | 109.5° |
| OBI | CAW | H21 | 109.4° | 109.5° |
| OBI | CAW | H22 | 109.4° | 109.4° |
| CAW | CAV | OBH | 105.7° | 109.5° |
| CAW | CAV | H19 | 110.4° | 109.5° |
| CAW | CAV | H20 | 110.4° | 109.4° |
| CAV | CAW | H21 | 109.4° | 109.5° |
| CAV | CAW | H22 | 109.4° | 109.5° |
| OAE | PBT | CBS | 118.6° | 109.5° |
| OAE | PBT | OAG | 109.2° | 109.4° |
| PBT | OAE | H2 | 109.5° | 114.0° |
| CAY | OBJ | CAZ | 114.6° | 114.0° |
| OBJ | CAY | H25 | 109.1° | 109.4° |
| OBJ | CAY | H26 | 109.1° | 109.5° |
| CBS | PBT | OAG | 109.0° | 109.5° |
| PBT | CBS | CAO | 120.1° | 120.0° |
| PBT | OAG | H1 | 109.5° | 114.0° |
| CBS | CAO | CAJ | 120.2° | 120.1° |
| CBS | CAO | H3 | 119.9° | 120.0° |
| OBH | CAV | H19 | 110.4° | 109.5° |
| OBH | CAV | H20 | 110.4° | 109.5° |
| CAI | CAJ | CAO | 120.3° | 120.1° |
| CAI | CAJ | H4 | 119.9° | 120.0° |
| CAJ | CAI | H5 | 119.9° | 120.0° |
| OBJ | CAZ | CBB | 108.6° | 109.5° |
| OBJ | CAZ | H27 | 109.7° | 109.4° |
| OBJ | CAZ | H28 | 109.7° | 109.5° |
| CAZ | CBB | CBM | 114.2° | 109.5° |
| CBB | CAZ | H27 | 109.7° | 109.5° |
| CBB | CAZ | H28 | 109.7° | 109.5° |
| CAZ | CBB | H29 | 108.3° | 109.5° |
| CAZ | CBB | H30 | 108.3° | 109.5° |
| CBB | CBM | OAB | 120.9° | 120.0° |
| CBB | CBM | NBE | 115.2° | 120.0° |
| CBM | CBB | H29 | 108.3° | 109.5° |
| CBM | CBB | H30 | 108.3° | 109.4° |
| CAJ | CAO | H3 | 119.9° | 120.0° |
| CAO | CAJ | H4 | 119.9° | 120.0° |
| OAB | CBM | NBE | 123.9° | 120.0° |
| CBM | NBE | CAS | 120.8° | 120.0° |
| CBM | NBE | H31 | 119.6° | 120.0° |
| NBE | CAS | CAR | 107.7° | 109.4° |
| CAS | NBE | H31 | 119.6° | 120.0° |
| NBE | CAS | H32 | 109.9° | 109.5° |
| NBE | CAS | H33 | 109.9° | 109.4° |
| CAS | CAR | NBD | 107.2° | 109.4° |
| CAR | CAS | H32 | 109.9° | 109.5° |
| CAR | CAS | H33 | 109.9° | 109.5° |
| CAS | CAR | H34 | 110.0° | 109.4° |
| CAS | CAR | H35 | 110.0° | 109.5° |
| NBD | CAR | H34 | 110.1° | 109.5° |
| NBD | CAR | H35 | 110.1° | 109.5° |
| CAR | NBD | H36 | 150.1° | 120.0° |
| CAR | NBD | C1 | 59.7° | 120.0° |
| H7 | CBC | H8 | 109.5° | 109.5° |
| H15 | CAT | H16 | 109.5° | 109.4° |
| H17 | CAU | H18 | 109.5° | 109.5° |
| H19 | CAV | H20 | 109.5° | 109.5° |
| H21 | CAW | H22 | 109.5° | 109.5° |
| H23 | CAX | H24 | 109.5° | 109.5° |
| H25 | CAY | H26 | 109.5° | 109.5° |
| H27 | CAZ | H28 | 109.5° | 109.5° |
| H29 | CBB | H30 | 109.5° | 109.5° |
| H32 | CAS | H33 | 109.4° | 109.5° |
| H34 | CAR | H35 | 109.5° | 109.5° |
| H36 | NBD | C1 | 150.1° | 120.0° |
| NBD | C1 | C2 | 90.0° | 120.0° |
| NBD | C1 | O1 | 90.0° | 120.0° |
| C2 | C1 | O1 | 90.0° | 120.0° |
| C1 | C2 | C3 | 90.0° | 109.5° |
| C1 | C2 | H37 | 90.0° | 109.5° |
| C1 | C2 | H38 | 90.0° | 109.5° |
| C2 | C3 | O2 | 90.0° | 109.5° |
| C3 | C2 | H37 | 90.0° | 109.5° |
| C3 | C2 | H38 | 90.0° | 109.5° |
| C2 | C3 | H39 | 90.0° | 109.5° |
| C2 | C3 | H40 | 90.0° | 109.5° |
| C3 | O2 | C5 | 90.0° | 114.0° |
| O2 | C3 | H39 | 90.0° | 109.5° |
| O2 | C3 | H40 | 90.0° | 109.5° |
| O2 | C5 | C6 | 90.0° | 109.5° |
| O2 | C5 | H41 | 90.0° | 109.4° |
| O2 | C5 | H42 | 90.0° | 109.4° |
| C5 | C6 | O3 | 90.0° | 109.5° |
| C6 | C5 | H41 | 90.0° | 109.5° |
| C6 | C5 | H42 | 90.0° | 109.5° |
| C5 | C6 | H43 | 90.0° | 109.5° |
| C5 | C6 | H44 | 90.0° | 109.5° |
| C6 | O3 | C8 | 90.0° | 114.0° |
| O3 | C6 | H43 | 90.0° | 109.5° |
| O3 | C6 | H44 | 90.0° | 109.4° |
| O3 | C8 | C9 | 90.0° | 109.5° |
| O3 | C8 | H45 | 90.0° | 109.5° |
| O3 | C8 | H46 | 90.0° | 109.4° |
| C8 | C9 | O4 | 90.0° | 109.5° |
| C9 | C8 | H45 | 90.0° | 109.5° |
| C9 | C8 | H46 | 90.0° | 109.5° |
| C8 | C9 | H47 | 90.0° | 109.5° |
| C8 | C9 | H48 | 90.0° | 109.5° |
| C9 | O4 | C7 | 90.0° | 114.0° |
| O4 | C9 | H47 | 90.0° | 109.5° |
| O4 | C9 | H48 | 90.0° | 109.5° |
| O4 | C7 | C10 | 90.0° | 109.5° |
| O4 | C7 | H49 | 90.0° | 109.5° |
| O4 | C7 | H50 | 90.0° | 109.4° |
| C7 | C10 | N1 | 90.0° | 109.4° |
| C10 | C7 | H49 | 90.0° | 109.5° |
| C10 | C7 | H50 | 90.0° | 109.5° |
| C7 | C10 | H51 | 90.0° | 109.5° |
| C7 | C10 | H52 | 90.0° | 109.5° |
| N1 | C10 | H51 | 90.0° | 109.4° |
| N1 | C10 | H52 | 90.0° | 109.5° |
| C10 | N1 | H53 | 90.0° | 120.0° |
| C10 | N1 | C4 | 90.0° | 120.0° |
| H37 | C2 | H38 | 90.0° | 109.5° |
| H39 | C3 | H40 | 90.0° | 109.4° |
| H41 | C5 | H42 | 90.0° | 109.5° |
| H43 | C6 | H44 | 90.0° | 109.5° |
| H45 | C8 | H46 | 90.0° | 109.5° |
| H47 | C9 | H48 | 90.0° | 109.4° |
| H49 | C7 | H50 | 90.0° | 109.4° |
| H51 | C10 | H52 | 90.0° | 109.5° |
| H53 | N1 | C4 | 90.0° | 120.0° |
| N1 | C4 | C11 | 90.0° | 120.0° |
| N1 | C4 | O5 | 90.0° | 120.0° |
| C4 | C11 | C12 | 90.0° | 120.0° |
| C4 | C11 | C16 | 90.0° | 120.1° |
| C11 | C4 | O5 | 90.0° | 120.1° |
| C11 | C12 | C13 | 90.0° | 119.9° |
| C12 | C11 | C16 | 90.0° | 119.8° |
| C11 | C12 | H54 | 90.0° | 120.0° |
| C12 | C13 | C14 | 90.0° | 120.1° |
| C13 | C12 | H54 | 90.0° | 120.0° |
| C12 | C13 | H55 | 90.0° | 120.0° |
| C13 | C14 | C15 | 90.0° | 120.2° |
| C13 | C14 | N2 | 90.0° | 120.0° |
| C14 | C13 | H55 | 90.0° | 120.0° |
| C14 | C15 | C16 | 90.0° | 120.0° |
| C15 | C14 | N2 | 90.0° | 119.9° |
| C14 | C15 | H56 | 90.0° | 119.9° |
| C15 | C16 | C11 | 90.0° | 120.0° |
| C16 | C15 | H56 | 90.0° | 120.0° |
| C15 | C16 | H57 | 90.0° | 120.0° |
| C11 | C16 | H57 | 90.0° | 120.1° |
| C14 | N2 | C18 | 90.0° | 120.0° |
| C14 | N2 | H58 | 90.0° | 120.0° |
| N2 | C18 | C19 | 90.0° | 120.0° |
| N2 | C18 | O7 | 90.0° | 120.0° |
| C18 | N2 | H58 | 90.0° | 120.0° |
| C18 | C19 | O6 | 90.0° | 109.4° |
| C19 | C18 | O7 | 90.0° | 120.0° |
| C18 | C19 | H59 | 90.0° | 109.5° |
| C18 | C19 | H60 | 90.0° | 109.5° |
| C19 | O6 | C17 | 90.0° | 117.0° |
| O6 | C19 | H59 | 90.0° | 109.4° |
| O6 | C19 | H60 | 90.0° | 109.5° |
| O6 | C17 | C20 | 90.0° | 120.1° |
| O6 | C17 | C24 | 90.0° | 120.1° |
| C17 | C20 | C21 | 90.0° | 120.0° |
| C20 | C17 | C24 | 90.0° | 119.8° |
| C17 | C20 | H61 | 90.0° | 120.0° |
| C20 | C21 | C22 | 90.0° | 120.0° |
| C21 | C20 | H61 | 90.0° | 120.0° |
| C20 | C21 | H62 | 90.0° | 120.0° |
| C21 | C22 | C23 | 90.0° | 120.1° |
| C22 | C21 | H62 | 90.0° | 119.9° |
| C21 | C22 | H63 | 90.0° | 119.9° |
| C22 | C23 | C24 | 90.0° | 120.0° |
| C23 | C22 | H63 | 90.0° | 120.0° |
| C22 | C23 | H64 | 90.0° | 119.9° |
| C23 | C24 | C17 | 90.0° | 120.0° |
| C23 | C24 | P1 | 90.0° | 120.0° |
| C24 | C23 | H64 | 90.0° | 120.0° |
| C17 | C24 | P1 | 90.0° | 120.0° |
| C24 | P1 | O8 | 90.0° | 109.5° |
| C24 | P1 | O10 | 90.0° | 109.5° |
| C24 | P1 | O9 | 90.0° | 109.4° |
| O8 | P1 | O10 | 90.0° | 109.5° |
| O8 | P1 | O9 | 90.0° | 109.5° |
| O10 | P1 | O9 | 90.0° | 109.5° |
| P1 | O10 | H65 | 90.0° | 114.0° |
| P1 | O9 | H66 | 90.0° | 114.0° |
| H59 | C19 | H60 | 90.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAL | CAK | CAM | H12 | 180.0° | 180.0° |
| CAK | CAL | CBP | H11 | 180.0° | 179.9° |
| CAL | CAK | CAM | CBQ | 0.9° | 0.2° |
| CAK | CAL | CBP | NBG | 179.8° | 180.0° |
| CAK | CAL | CBP | CAP | 1.4° | 0.2° |
| CAL | CAK | CAM | H13 | 179.1° | 180.0° |
| CAM | CAK | CAL | CBP | 1.0° | 0.0° |
| CAK | CAM | CBQ | H13 | 180.0° | 179.7° |
| CAK | CAM | CBQ | CAP | 1.1° | 0.2° |
| CAK | CAM | CBQ | CBO | 179.6° | 180.0° |
| CAM | CAK | CAL | H11 | 179.0° | 180.0° |
| CAL | CBP | NBG | CBN | 58.2° | 144.8° |
| CAL | CBP | NBG | CAP | 178.5° | 179.8° |
| CAL | CBP | CAP | CBQ | 1.6° | 0.2° |
| CAL | CBP | NBG | H9 | 121.8° | 35.3° |
| CAL | CBP | CAP | H10 | 178.4° | 179.8° |
| CBP | CAL | CAK | H12 | 178.9° | 180.0° |
| OAC | CBN | CBC | NBG | 179.7° | 180.0° |
| OAC | CBN | NBG | CBP | 0.2° | 4.6° |
| OAC | CBN | CBC | OBK | 151.3° | 0.0° |
| OAC | CBN | CBC | H7 | 88.7° | 120.0° |
| OAC | CBN | CBC | H8 | 31.3° | 120.0° |
| OAC | CBN | NBG | H9 | 179.8° | 175.4° |
| CAM | CBQ | CAP | CBP | 1.4° | 0.0° |
| CAM | CBQ | CAP | CBO | 178.5° | 179.8° |
| CAM | CBQ | CBO | NBF | 38.8° | 0.0° |
| CAM | CBQ | CBO | OAD | 139.8° | 180.0° |
| CAM | CBQ | CAP | H10 | 178.6° | 180.0° |
| CBQ | CAM | CAK | H12 | 179.1° | 179.8° |
| CBC | CBN | NBG | CBP | 179.9° | 175.4° |
| CBN | CBC | OBK | H7 | 120.0° | 120.0° |
| CBN | CBC | OBK | H8 | 120.0° | 120.0° |
| CBN | CBC | OBK | CBR | 138.7° | 180.0° |
| CBN | CBC | H7 | H8 | 119.9° | 120.0° |
| CBC | CBN | NBG | H9 | 0.2° | 4.7° |
| CBN | NBG | CBP | H9 | 180.0° | 179.9° |
| CBN | NBG | CBP | CAP | 123.3° | 35.4° |
| NBG | CBN | CBC | OBK | 28.4° | 180.0° |
| NBG | CBN | CBC | H7 | 91.6° | 60.0° |
| NBG | CBN | CBC | H8 | 148.4° | 60.0° |
| NBG | CBP | CAP | CBQ | 180.0° | 180.0° |
| NBG | CBP | CAP | H10 | 0.0° | 0.0° |
| NBG | CBP | CAL | H11 | 0.2° | 0.0° |
| CBP | CAP | CBQ | H10 | 180.0° | 180.0° |
| CBP | CAP | CBQ | CBO | 179.9° | 179.8° |
| CAP | CBP | NBG | H9 | 56.6° | 144.5° |
| CAP | CBP | CAL | H11 | 178.6° | 179.7° |
| CBC | OBK | CBR | CAN | 42.5° | 0.1° |
| CBC | OBK | CBR | CBS | 138.7° | 179.4° |
| OBK | CBC | H7 | H8 | 120.0° | 120.1° |
| CAP | CBQ | CBO | NBF | 142.7° | 179.7° |
| CAP | CBQ | CBO | OAD | 38.7° | 0.2° |
| CAP | CBQ | CAM | H13 | 179.0° | 180.0° |
| CBQ | CBO | NBF | OAD | 178.6° | 179.9° |
| CBQ | CBO | NBF | CAT | 178.4° | 179.9° |
| CBO | CBQ | CAP | H10 | 0.1° | 0.2° |
| CBO | CBQ | CAM | H13 | 0.5° | 0.3° |
| CBQ | CBO | NBF | H14 | 1.6° | 0.0° |
| CBO | NBF | CAT | H14 | 180.0° | 180.0° |
| CBO | NBF | CAT | CAU | 94.1° | 180.0° |
| CBO | NBF | CAT | H15 | 25.4° | 60.0° |
| CBO | NBF | CAT | H16 | 146.4° | 60.0° |
| CAT | NBF | CBO | OAD | 0.2° | 0.0° |
| NBF | CAT | CAU | H15 | 119.5° | 120.1° |
| NBF | CAT | CAU | H16 | 119.5° | 120.0° |
| NBF | CAT | CAU | OBH | 69.1° | 65.0° |
| NBF | CAT | H15 | H16 | 121.4° | 120.0° |
| NBF | CAT | CAU | H17 | 170.8° | 175.0° |
| NBF | CAT | CAU | H18 | 51.0° | 55.0° |
| OBK | CBR | CAN | CBS | 178.8° | 179.3° |
| OBK | CBR | CAN | CAI | 179.7° | 180.0° |
| OBK | CBR | CBS | PBT | 0.9° | 0.3° |
| OBK | CBR | CBS | CAO | 179.9° | 179.9° |
| OBK | CBR | CAN | H6 | 0.3° | 0.3° |
| CBR | OBK | CBC | H7 | 18.7° | 60.1° |
| CBR | OBK | CBC | H8 | 101.3° | 60.0° |
| OAD | CBO | NBF | H14 | 179.8° | 179.9° |
| CAT | CAU | OBH | H17 | 120.1° | 120.0° |
| CAT | CAU | OBH | H18 | 120.1° | 120.0° |
| CAT | CAU | OBH | CAV | 161.6° | 180.0° |
| CAU | CAT | NBF | H14 | 85.9° | 0.1° |
| CAU | CAT | H15 | H16 | 121.4° | 119.9° |
| CAT | CAU | H17 | H18 | 119.6° | 120.0° |
| OAH | PBT | CBS | CBR | 61.4° | 149.7° |
| OAH | PBT | OAE | CBS | 123.8° | 120.0° |
| OAH | PBT | OAE | OAG | 110.6° | 120.0° |
| OAH | PBT | CBS | OAG | 110.8° | 120.0° |
| OAH | PBT | CBS | CAO | 119.4° | 30.0° |
| OAH | PBT | OAG | H1 | 0.0° | 180.0° |
| OAH | PBT | OAE | H2 | 0.0° | 60.0° |
| CAY | CAX | OBI | H23 | 119.3° | 120.0° |
| CAY | CAX | OBI | H24 | 119.4° | 120.0° |
| CAY | CAX | OBI | CAW | 166.9° | 180.0° |
| CAX | CAY | OBJ | H25 | 120.2° | 119.9° |
| CAX | CAY | OBJ | H26 | 120.2° | 120.1° |
| CAX | CAY | OBJ | CAZ | 140.4° | 180.0° |
| CAY | CAX | H23 | H24 | 121.8° | 120.0° |
| CAX | CAY | H25 | H26 | 119.3° | 120.1° |
| CAX | OBI | CAW | CAV | 167.1° | 180.0° |
| OBI | CAX | CAY | OBJ | 65.2° | 65.1° |
| CAX | OBI | CAW | H21 | 47.0° | 60.0° |
| CAX | OBI | CAW | H22 | 72.9° | 60.0° |
| OBI | CAX | H23 | H24 | 121.9° | 120.0° |
| OBI | CAX | CAY | H25 | 55.1° | 175.0° |
| OBI | CAX | CAY | H26 | 174.6° | 55.0° |
| CBR | CAN | CAI | H6 | 180.0° | 179.7° |
| CAN | CBR | CBS | PBT | 179.7° | 179.7° |
| CAN | CBR | CBS | CAO | 1.1° | 0.6° |
| CBR | CAN | CAI | CAJ | 0.6° | 0.3° |
| CBR | CAN | CAI | H5 | 179.5° | 179.7° |
| CBS | CBR | CAN | CAI | 0.9° | 0.6° |
| CBR | CBS | PBT | OAE | 62.1° | 29.7° |
| CBR | CBS | PBT | CAO | 179.2° | 179.7° |
| CBR | CBS | PBT | OAG | 172.2° | 90.3° |
| CBR | CBS | CAO | CAJ | 0.8° | 0.2° |
| CBR | CBS | CAO | H3 | 179.2° | 179.7° |
| CBS | CBR | CAN | H6 | 179.1° | 179.7° |
| CAU | OBH | CAV | CAW | 92.4° | 180.0° |
| OBH | CAU | CAT | H15 | 50.4° | 55.0° |
| OBH | CAU | CAT | H16 | 171.4° | 174.9° |
| OBH | CAU | H17 | H18 | 119.6° | 120.1° |
| CAU | OBH | CAV | H19 | 27.0° | 60.0° |
| CAU | OBH | CAV | H20 | 148.2° | 60.0° |
| CAN | CAI | CAJ | H5 | 180.0° | 180.0° |
| CAN | CAI | CAJ | CAO | 0.3° | 0.0° |
| CAN | CAI | CAJ | H4 | 179.7° | 179.9° |
| OBI | CAW | CAV | H21 | 120.1° | 120.0° |
| OBI | CAW | CAV | H22 | 120.1° | 120.0° |
| OBI | CAW | CAV | OBH | 91.7° | 65.0° |
| OBI | CAW | CAV | H19 | 149.0° | 55.0° |
| OBI | CAW | CAV | H20 | 27.7° | 175.0° |
| OBI | CAW | H21 | H22 | 119.8° | 120.0° |
| CAW | OBI | CAX | H23 | 73.8° | 60.0° |
| CAW | OBI | CAX | H24 | 47.6° | 60.0° |
| CAW | CAV | OBH | H19 | 119.4° | 120.0° |
| CAW | CAV | OBH | H20 | 119.4° | 120.0° |
| CAW | CAV | H19 | H20 | 121.8° | 120.0° |
| CAV | CAW | H21 | H22 | 119.8° | 120.0° |
| OAE | PBT | CBS | OAG | 125.7° | 120.0° |
| OAE | PBT | CBS | CAO | 117.1° | 150.0° |
| OAE | PBT | OAG | H1 | 114.1° | 60.1° |
| CAY | OBJ | CAZ | CBB | 63.6° | 180.0° |
| OBJ | CAY | CAX | H23 | 54.2° | 55.0° |
| OBJ | CAY | CAX | H24 | 175.5° | 175.0° |
| OBJ | CAY | H25 | H26 | 119.3° | 120.0° |
| CAY | OBJ | CAZ | H27 | 56.2° | 60.1° |
| CAY | OBJ | CAZ | H28 | 176.5° | 59.9° |
| PBT | CBS | CAO | CAJ | 180.0° | 180.0° |
| CBS | PBT | OAG | H1 | 114.9° | 59.9° |
| CBS | PBT | OAE | H2 | 123.8° | 180.0° |
| PBT | CBS | CAO | H3 | 0.0° | 0.0° |
| OAG | PBT | CBS | CAO | 8.6° | 90.0° |
| OAG | PBT | OAE | H2 | 110.6° | 60.0° |
| CBS | CAO | CAJ | CAI | 0.4° | 0.1° |
| CBS | CAO | CAJ | H3 | 180.0° | 179.9° |
| CBS | CAO | CAJ | H4 | 179.6° | 180.0° |
| CAV | OBH | CAU | H17 | 78.3° | 60.1° |
| CAV | OBH | CAU | H18 | 41.5° | 60.0° |
| OBH | CAV | H19 | H20 | 121.8° | 120.0° |
| OBH | CAV | CAW | H21 | 28.4° | 175.0° |
| OBH | CAV | CAW | H22 | 148.3° | 55.0° |
| CAI | CAJ | CAO | H4 | 180.0° | 179.9° |
| CAI | CAJ | CAO | H3 | 179.6° | 180.0° |
| CAJ | CAI | CAN | H6 | 179.5° | 180.0° |
| OBJ | CAZ | CBB | H27 | 119.8° | 120.0° |
| OBJ | CAZ | CBB | H28 | 119.9° | 120.0° |
| OBJ | CAZ | CBB | CBM | 101.2° | 180.0° |
| CAZ | OBJ | CAY | H25 | 99.4° | 60.1° |
| CAZ | OBJ | CAY | H26 | 20.2° | 59.9° |
| OBJ | CAZ | H27 | H28 | 120.4° | 120.0° |
| OBJ | CAZ | CBB | H29 | 19.4° | 60.0° |
| OBJ | CAZ | CBB | H30 | 138.1° | 60.0° |
| CAZ | CBB | CBM | H29 | 120.7° | 120.1° |
| CAZ | CBB | CBM | H30 | 120.7° | 120.0° |
| CAZ | CBB | CBM | OAB | 9.0° | 0.0° |
| CAZ | CBB | CBM | NBE | 170.8° | 180.0° |
| CBB | CAZ | H27 | H28 | 120.4° | 120.0° |
| CAZ | CBB | H29 | H30 | 117.8° | 120.0° |
| CBB | CBM | OAB | NBE | 179.8° | 180.0° |
| CBB | CBM | NBE | CAS | 179.1° | 180.0° |
| CBM | CBB | CAZ | H27 | 138.9° | 60.0° |
| CBM | CBB | CAZ | H28 | 18.6° | 60.0° |
| CBM | CBB | H29 | H30 | 117.8° | 120.0° |
| CBB | CBM | NBE | H31 | 0.9° | 0.0° |
| CAO | CAJ | CAI | H5 | 179.7° | 180.0° |
| OAB | CBM | NBE | CAS | 1.1° | 0.0° |
| OAB | CBM | CBB | H29 | 129.7° | 120.0° |
| OAB | CBM | CBB | H30 | 111.6° | 120.0° |
| OAB | CBM | NBE | H31 | 178.9° | 180.0° |
| CBM | NBE | CAS | H31 | 180.0° | 180.0° |
| CBM | NBE | CAS | CAR | 127.2° | 180.0° |
| NBE | CBM | CBB | H29 | 50.1° | 59.9° |
| NBE | CBM | CBB | H30 | 68.5° | 60.0° |
| CBM | NBE | CAS | H32 | 113.1° | 60.0° |
| CBM | NBE | CAS | H33 | 7.4° | 60.0° |
| NBE | CAS | CAR | H32 | 119.8° | 120.0° |
| NBE | CAS | CAR | H33 | 119.7° | 120.0° |
| NBE | CAS | CAR | NBD | 177.5° | 180.0° |
| NBE | CAS | H32 | H33 | 120.8° | 120.0° |
| NBE | CAS | CAR | H34 | 57.8° | 60.0° |
| NBE | CAS | CAR | H35 | 62.9° | 60.0° |
| CAS | CAR | NBD | H34 | 119.6° | 119.9° |
| CAS | CAR | NBD | H35 | 119.6° | 120.0° |
| CAR | CAS | NBE | H31 | 52.9° | 0.0° |
| CAR | CAS | H32 | H33 | 120.8° | 120.1° |
| CAS | CAR | H34 | H35 | 121.0° | 120.0° |
| CAS | CAR | NBD | H36 | 156.7° | 0.0° |
| CAS | CAR | NBD | C1 | 23.3° | 180.0° |
| NBD | CAR | CAS | H32 | 62.8° | 60.0° |
| NBD | CAR | CAS | H33 | 57.8° | 60.0° |
| NBD | CAR | H34 | H35 | 121.1° | 120.1° |
| CAR | NBD | H36 | C1 | 180.0° | 179.9° |
| CAR | NBD | C1 | C2 | 90.0° | 180.0° |
| CAR | NBD | C1 | O1 | 90.0° | 0.0° |
| H3 | CAO | CAJ | H4 | 0.4° | 0.1° |
| H4 | CAJ | CAI | H5 | 0.3° | 0.0° |
| H5 | CAI | CAN | H6 | 0.5° | 0.0° |
| H11 | CAL | CAK | H12 | 1.1° | 0.1° |
| H12 | CAK | CAM | H13 | 0.9° | 0.1° |
| H14 | NBF | CAT | H15 | 154.6° | 120.0° |
| H14 | NBF | CAT | H16 | 33.6° | 120.0° |
| H15 | CAT | CAU | H17 | 69.7° | 65.0° |
| H15 | CAT | CAU | H18 | 170.6° | 175.0° |
| H16 | CAT | CAU | H17 | 51.2° | 55.0° |
| H16 | CAT | CAU | H18 | 68.5° | 65.0° |
| H19 | CAV | CAW | H21 | 91.0° | 65.0° |
| H19 | CAV | CAW | H22 | 28.9° | 175.0° |
| H20 | CAV | CAW | H21 | 147.8° | 55.0° |
| H20 | CAV | CAW | H22 | 92.3° | 65.0° |
| H23 | CAX | CAY | H25 | 174.4° | 64.9° |
| H23 | CAX | CAY | H26 | 66.0° | 175.0° |
| H24 | CAX | CAY | H25 | 64.3° | 55.1° |
| H24 | CAX | CAY | H26 | 55.3° | 65.0° |
| H27 | CAZ | CBB | H29 | 100.4° | 179.9° |
| H27 | CAZ | CBB | H30 | 18.2° | 59.9° |
| H28 | CAZ | CBB | H29 | 139.3° | 60.1° |
| H28 | CAZ | CBB | H30 | 102.1° | 179.9° |
| H31 | NBE | CAS | H32 | 66.9° | 120.0° |
| H31 | NBE | CAS | H33 | 172.6° | 120.0° |
| H32 | CAS | CAR | H34 | 177.6° | 180.0° |
| H32 | CAS | CAR | H35 | 56.9° | 59.9° |
| H33 | CAS | CAR | H34 | 61.9° | 59.9° |
| H33 | CAS | CAR | H35 | 177.4° | 180.0° |
| H34 | CAR | NBD | H36 | 83.7° | 119.9° |
| H34 | CAR | NBD | C1 | 96.3° | 60.0° |
| H35 | CAR | NBD | H36 | 37.1° | 120.0° |
| H35 | CAR | NBD | C1 | 142.9° | 60.1° |
| H36 | NBD | C1 | C2 | 90.0° | 0.0° |
| H36 | NBD | C1 | O1 | 90.0° | 179.9° |
| NBD | C1 | C2 | O1 | 90.0° | 180.0° |
| NBD | C1 | C2 | C3 | 90.0° | 180.0° |
| NBD | C1 | C2 | H37 | 90.0° | 60.0° |
| NBD | C1 | C2 | H38 | 90.0° | 60.0° |
| C1 | C2 | C3 | H37 | 90.0° | 120.0° |
| C1 | C2 | C3 | H38 | 90.0° | 120.0° |
| C1 | C2 | C3 | O2 | 90.0° | 180.0° |
| C1 | C2 | H37 | H38 | 90.0° | 120.0° |
| C1 | C2 | C3 | H39 | 90.0° | 60.0° |
| C1 | C2 | C3 | H40 | 90.0° | 60.0° |
| O1 | C1 | C2 | C3 | 90.0° | 0.0° |
| O1 | C1 | C2 | H37 | 90.0° | 120.0° |
| O1 | C1 | C2 | H38 | 90.0° | 120.0° |
| C2 | C3 | O2 | H39 | 90.0° | 120.1° |
| C2 | C3 | O2 | H40 | 90.0° | 120.0° |
| C2 | C3 | O2 | C5 | 90.0° | 180.0° |
| C3 | C2 | H37 | H38 | 90.0° | 120.0° |
| C2 | C3 | H39 | H40 | 90.0° | 120.0° |
| C3 | O2 | C5 | C6 | 90.0° | 180.0° |
| O2 | C3 | C2 | H37 | 90.0° | 60.0° |
| O2 | C3 | C2 | H38 | 90.0° | 60.1° |
| O2 | C3 | H39 | H40 | 90.0° | 120.0° |
| C3 | O2 | C5 | H41 | 90.0° | 59.9° |
| C3 | O2 | C5 | H42 | 90.0° | 60.0° |
| O2 | C5 | C6 | H41 | 90.0° | 120.0° |
| O2 | C5 | C6 | H42 | 90.0° | 120.0° |
| O2 | C5 | C6 | O3 | 90.0° | 65.0° |
| C5 | O2 | C3 | H39 | 90.0° | 59.9° |
| C5 | O2 | C3 | H40 | 90.0° | 60.0° |
| O2 | C5 | H41 | H42 | 90.0° | 119.9° |
| O2 | C5 | C6 | H43 | 90.0° | 175.0° |
| O2 | C5 | C6 | H44 | 90.0° | 55.0° |
| C5 | C6 | O3 | H43 | 90.0° | 120.0° |
| C5 | C6 | O3 | H44 | 90.0° | 120.0° |
| C5 | C6 | O3 | C8 | 90.0° | 180.0° |
| C6 | C5 | H41 | H42 | 90.0° | 120.0° |
| C5 | C6 | H43 | H44 | 90.0° | 120.0° |
| C6 | O3 | C8 | C9 | 90.0° | 180.0° |
| O3 | C6 | C5 | H41 | 90.0° | 55.0° |
| O3 | C6 | C5 | H42 | 90.0° | 175.0° |
| O3 | C6 | H43 | H44 | 90.0° | 120.0° |
| C6 | O3 | C8 | H45 | 90.0° | 59.9° |
| C6 | O3 | C8 | H46 | 90.0° | 60.0° |
| O3 | C8 | C9 | H45 | 90.0° | 120.0° |
| O3 | C8 | C9 | H46 | 90.0° | 119.9° |
| O3 | C8 | C9 | O4 | 90.0° | 65.0° |
| C8 | O3 | C6 | H43 | 90.0° | 59.9° |
| C8 | O3 | C6 | H44 | 90.0° | 60.0° |
| O3 | C8 | H45 | H46 | 90.0° | 119.9° |
| O3 | C8 | C9 | H47 | 90.0° | 174.9° |
| O3 | C8 | C9 | H48 | 90.0° | 55.0° |
| C8 | C9 | O4 | H47 | 90.0° | 120.0° |
| C8 | C9 | O4 | H48 | 90.0° | 120.0° |
| C8 | C9 | O4 | C7 | 90.0° | 180.0° |
| C9 | C8 | H45 | H46 | 90.0° | 120.0° |
| C8 | C9 | H47 | H48 | 90.0° | 120.0° |
| C9 | O4 | C7 | C10 | 90.0° | 180.0° |
| O4 | C9 | C8 | H45 | 90.0° | 55.0° |
| O4 | C9 | C8 | H46 | 90.0° | 175.0° |
| O4 | C9 | H47 | H48 | 90.0° | 120.0° |
| C9 | O4 | C7 | H49 | 90.0° | 59.9° |
| C9 | O4 | C7 | H50 | 90.0° | 60.0° |
| O4 | C7 | C10 | H49 | 90.0° | 120.1° |
| O4 | C7 | C10 | H50 | 90.0° | 120.0° |
| O4 | C7 | C10 | N1 | 90.0° | 65.0° |
| C7 | O4 | C9 | H47 | 90.0° | 60.0° |
| C7 | O4 | C9 | H48 | 90.0° | 60.0° |
| O4 | C7 | H49 | H50 | 90.0° | 119.9° |
| O4 | C7 | C10 | H51 | 90.0° | 175.0° |
| O4 | C7 | C10 | H52 | 90.0° | 54.9° |
| C7 | C10 | N1 | H51 | 90.0° | 120.0° |
| C7 | C10 | N1 | H52 | 90.0° | 120.0° |
| C10 | C7 | H49 | H50 | 90.0° | 120.0° |
| C7 | C10 | H51 | H52 | 90.0° | 120.0° |
| C7 | C10 | N1 | H53 | 90.0° | 0.0° |
| C7 | C10 | N1 | C4 | 90.0° | 180.0° |
| N1 | C10 | C7 | H49 | 90.0° | 55.1° |
| N1 | C10 | C7 | H50 | 90.0° | 175.0° |
| N1 | C10 | H51 | H52 | 90.0° | 120.0° |
| C10 | N1 | H53 | C4 | 90.0° | 180.0° |
| C10 | N1 | C4 | C11 | 90.0° | 180.0° |
| C10 | N1 | C4 | O5 | 90.0° | 0.0° |
| H37 | C2 | C3 | H39 | 90.0° | 180.0° |
| H37 | C2 | C3 | H40 | 90.0° | 60.0° |
| H38 | C2 | C3 | H39 | 90.0° | 60.0° |
| H38 | C2 | C3 | H40 | 90.0° | 179.9° |
| H41 | C5 | C6 | H43 | 90.0° | 65.0° |
| H41 | C5 | C6 | H44 | 90.0° | 175.0° |
| H42 | C5 | C6 | H43 | 90.0° | 55.0° |
| H42 | C5 | C6 | H44 | 90.0° | 65.0° |
| H45 | C8 | C9 | H47 | 90.0° | 65.0° |
| H45 | C8 | C9 | H48 | 90.0° | 175.0° |
| H46 | C8 | C9 | H47 | 90.0° | 55.0° |
| H46 | C8 | C9 | H48 | 90.0° | 64.9° |
| H49 | C7 | C10 | H51 | 90.0° | 64.9° |
| H49 | C7 | C10 | H52 | 90.0° | 175.0° |
| H50 | C7 | C10 | H51 | 90.0° | 55.0° |
| H50 | C7 | C10 | H52 | 90.0° | 65.0° |
| H51 | C10 | N1 | H53 | 90.0° | 120.0° |
| H51 | C10 | N1 | C4 | 90.0° | 60.0° |
| H52 | C10 | N1 | H53 | 90.0° | 119.9° |
| H52 | C10 | N1 | C4 | 90.0° | 60.0° |
| H53 | N1 | C4 | C11 | 90.0° | 0.1° |
| H53 | N1 | C4 | O5 | 90.0° | 180.0° |
| N1 | C4 | C11 | O5 | 90.0° | 180.0° |
| N1 | C4 | C11 | C12 | 90.0° | 179.9° |
| N1 | C4 | C11 | C16 | 90.0° | 0.3° |
| C4 | C11 | C12 | C16 | 90.0° | 179.8° |
| C4 | C11 | C12 | C13 | 90.0° | 179.9° |
| C4 | C11 | C16 | C15 | 90.0° | 179.8° |
| C4 | C11 | C12 | H54 | 90.0° | 0.0° |
| C4 | C11 | C16 | H57 | 90.0° | 0.3° |
| C11 | C12 | C13 | H54 | 90.0° | 179.9° |
| C11 | C12 | C13 | C14 | 90.0° | 0.1° |
| C12 | C11 | C16 | C15 | 90.0° | 0.5° |
| C12 | C11 | C4 | O5 | 90.0° | 0.0° |
| C11 | C12 | C13 | H55 | 90.0° | 180.0° |
| C12 | C11 | C16 | H57 | 90.0° | 180.0° |
| C12 | C13 | C14 | H55 | 90.0° | 179.9° |
| C12 | C13 | C14 | C15 | 90.0° | 0.0° |
| C13 | C12 | C11 | C16 | 90.0° | 0.1° |
| C12 | C13 | C14 | N2 | 90.0° | 179.9° |
| C13 | C14 | C15 | N2 | 90.0° | 180.0° |
| C13 | C14 | C15 | C16 | 90.0° | 0.3° |
| C13 | C14 | N2 | C18 | 90.0° | 33.6° |
| C14 | C13 | C12 | H54 | 90.0° | 180.0° |
| C13 | C14 | C15 | H56 | 90.0° | 180.0° |
| C13 | C14 | N2 | H58 | 90.0° | 146.3° |
| C14 | C15 | C16 | H56 | 90.0° | 179.7° |
| C14 | C15 | C16 | C11 | 90.0° | 0.6° |
| C15 | C14 | N2 | C18 | 90.0° | 146.4° |
| C15 | C14 | C13 | H55 | 90.0° | 180.0° |
| C14 | C15 | C16 | H57 | 90.0° | 180.0° |
| C15 | C14 | N2 | H58 | 90.0° | 33.7° |
| C15 | C16 | C11 | H57 | 90.0° | 179.5° |
| C16 | C15 | C14 | N2 | 90.0° | 179.7° |
| C16 | C11 | C4 | O5 | 90.0° | 179.8° |
| C16 | C11 | C12 | H54 | 90.0° | 179.8° |
| C11 | C16 | C15 | H56 | 90.0° | 179.8° |
| C14 | N2 | C18 | H58 | 90.0° | 179.9° |
| C14 | N2 | C18 | C19 | 90.0° | 174.9° |
| C14 | N2 | C18 | O7 | 90.0° | 5.1° |
| N2 | C14 | C13 | H55 | 90.0° | 0.0° |
| N2 | C14 | C15 | H56 | 90.0° | 0.1° |
| N2 | C18 | C19 | O7 | 90.0° | 180.0° |
| N2 | C18 | C19 | O6 | 90.0° | 180.0° |
| N2 | C18 | C19 | H59 | 90.0° | 60.0° |
| N2 | C18 | C19 | H60 | 90.0° | 60.0° |
| C18 | C19 | O6 | H59 | 90.0° | 119.9° |
| C18 | C19 | O6 | H60 | 90.0° | 120.0° |
| C18 | C19 | O6 | C17 | 90.0° | 180.0° |
| C19 | C18 | N2 | H58 | 90.0° | 5.0° |
| C18 | C19 | H59 | H60 | 90.0° | 120.0° |
| O6 | C19 | C18 | O7 | 90.0° | 0.0° |
| C19 | O6 | C17 | C20 | 90.0° | 0.1° |
| C19 | O6 | C17 | C24 | 90.0° | 179.7° |
| O6 | C19 | H59 | H60 | 90.0° | 120.0° |
| O7 | C18 | N2 | H58 | 90.0° | 175.0° |
| O7 | C18 | C19 | H59 | 90.0° | 120.0° |
| O7 | C18 | C19 | H60 | 90.0° | 120.0° |
| O6 | C17 | C20 | C24 | 90.0° | 179.7° |
| O6 | C17 | C20 | C21 | 90.0° | 180.0° |
| O6 | C17 | C24 | C23 | 90.0° | 179.6° |
| O6 | C17 | C24 | P1 | 90.0° | 0.3° |
| C17 | O6 | C19 | H59 | 90.0° | 60.1° |
| C17 | O6 | C19 | H60 | 90.0° | 60.0° |
| O6 | C17 | C20 | H61 | 90.0° | 0.0° |
| C17 | C20 | C21 | H61 | 90.0° | 180.0° |
| C17 | C20 | C21 | C22 | 90.0° | 0.0° |
| C20 | C17 | C24 | C23 | 90.0° | 0.6° |
| C20 | C17 | C24 | P1 | 90.0° | 180.0° |
| C17 | C20 | C21 | H62 | 90.0° | 180.0° |
| C20 | C21 | C22 | H62 | 90.0° | 180.0° |
| C20 | C21 | C22 | C23 | 90.0° | 0.0° |
| C21 | C20 | C17 | C24 | 90.0° | 0.3° |
| C20 | C21 | C22 | H63 | 90.0° | 180.0° |
| C21 | C22 | C23 | H63 | 90.0° | 179.9° |
| C21 | C22 | C23 | C24 | 90.0° | 0.4° |
| C22 | C21 | C20 | H61 | 90.0° | 180.0° |
| C21 | C22 | C23 | H64 | 90.0° | 180.0° |
| C22 | C23 | C24 | H64 | 90.0° | 179.6° |
| C22 | C23 | C24 | C17 | 90.0° | 0.7° |
| C22 | C23 | C24 | P1 | 90.0° | 180.0° |
| C23 | C22 | C21 | H62 | 90.0° | 179.9° |
| C23 | C24 | C17 | P1 | 90.0° | 179.3° |
| C23 | C24 | P1 | O8 | 90.0° | 90.0° |
| C23 | C24 | P1 | O10 | 90.0° | 30.1° |
| C23 | C24 | P1 | O9 | 90.0° | 150.0° |
| C24 | C23 | C22 | H63 | 90.0° | 179.7° |
| C17 | C24 | P1 | O8 | 90.0° | 89.4° |
| C17 | C24 | P1 | O10 | 90.0° | 150.6° |
| C17 | C24 | P1 | O9 | 90.0° | 30.6° |
| C24 | C17 | C20 | H61 | 90.0° | 179.7° |
| C17 | C24 | C23 | H64 | 90.0° | 179.7° |
| C24 | P1 | O8 | O10 | 90.0° | 120.0° |
| C24 | P1 | O8 | O9 | 90.0° | 120.0° |
| C24 | P1 | O10 | O9 | 90.0° | 120.0° |
| P1 | C24 | C23 | H64 | 90.0° | 0.4° |
| C24 | P1 | O10 | H65 | 90.0° | 180.0° |
| C24 | P1 | O9 | H66 | 90.0° | 60.0° |
| O8 | P1 | O10 | O9 | 90.0° | 120.0° |
| O8 | P1 | O10 | H65 | 90.0° | 60.0° |
| O8 | P1 | O9 | H66 | 90.0° | 179.9° |
| O10 | P1 | O9 | H66 | 90.0° | 59.9° |
| O9 | P1 | O10 | H65 | 90.0° | 60.0° |
| H54 | C12 | C13 | H55 | 90.0° | 0.1° |
| H56 | C15 | C16 | H57 | 90.0° | 0.3° |
| H61 | C20 | C21 | H62 | 90.0° | 0.0° |
| H62 | C21 | C22 | H63 | 90.0° | 0.0° |
| H63 | C22 | C23 | H64 | 90.0° | 0.1° |
