A1JQT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAN | NAR | doub | 1.29Å | 1.31Å | Aromatic |
| CAN | SAU | sing | 1.71Å | 1.73Å | Aromatic |
| NAR | CAZ | sing | 1.31Å | 1.33Å | Aromatic |
| SAU | CBB | sing | 1.76Å | 1.74Å | Aromatic |
| CAZ | CBB | doub | 1.35Å | 1.39Å | Aromatic |
| CAZ | CAB | sing | 1.51Å | 1.51Å | |
| CBB | CBA | sing | 1.48Å | 1.48Å | |
| CBA | CAM | doub | 1.40Å | 1.39Å | Aromatic |
| CBA | CAL | sing | 1.40Å | 1.39Å | Aromatic |
| CAM | CAK | sing | 1.38Å | 1.39Å | Aromatic |
| CAL | CAJ | doub | 1.38Å | 1.38Å | Aromatic |
| CAK | CAY | doub | 1.38Å | 1.40Å | Aromatic |
| CAJ | CAY | sing | 1.38Å | 1.40Å | Aromatic |
| CAY | CAO | sing | 1.51Å | 1.53Å | |
| CB | CG | sing | 1.55Å | 1.52Å | |
| CB | CA | sing | 1.54Å | 1.55Å | |
| CG | OD1 | sing | 1.43Å | 1.42Å | |
| CG | CD2 | sing | 1.55Å | 1.54Å | |
| CAO | NAS | sing | 1.47Å | 1.46Å | |
| O | C | doub | 1.21Å | 1.23Å | |
| NAS | C | sing | 1.35Å | 1.34Å | |
| C | CA | sing | 1.51Å | 1.54Å | |
| CD2 | N | sing | 1.47Å | 1.47Å | |
| CA | N | sing | 1.47Å | 1.48Å | |
| N | CAX | sing | 1.35Å | 1.36Å | |
| CAE | CBG | sing | 1.53Å | 1.54Å | |
| CAX | OAH | doub | 1.21Å | 1.24Å | |
| CAX | CBE | sing | 1.51Å | 1.56Å | |
| CBE | CBG | sing | 1.53Å | 1.58Å | |
| CBE | NAT | sing | 1.46Å | 1.47Å | |
| CBG | CAD | sing | 1.53Å | 1.54Å | |
| CBG | CAC | sing | 1.53Å | 1.54Å | |
| NAT | CAV | sing | 1.35Å | 1.34Å | |
| OAF | CAV | doub | 1.21Å | 1.24Å | |
| CAV | CAA | sing | 1.51Å | 1.53Å | |
| CAA | C1 | sing | 1.53Å | 1.54Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C5 | C65 | sing | 1.53Å | 1.55Å | |
| C65 | C64 | sing | 1.53Å | 1.54Å | |
| O32 | C31 | sing | 1.43Å | 1.41Å | |
| C62 | C61 | sing | 1.53Å | 1.55Å | |
| C62 | C63 | sing | 1.53Å | 1.55Å | |
| O27 | C26 | sing | 1.43Å | 1.42Å | |
| C64 | C63 | sing | 1.53Å | 1.54Å | |
| C61 | C60 | sing | 1.51Å | 1.54Å | |
| O34 | C33 | sing | 1.43Å | 1.42Å | |
| C26 | C24 | sing | 1.50Å | 1.55Å | |
| C26 | C28 | sing | 1.51Å | 1.56Å | |
| C31 | C33 | sing | 1.53Å | 1.54Å | |
| C31 | C30 | sing | 1.53Å | 1.54Å | |
| C24 | C25 | sing | 1.53Å | 1.55Å | |
| C24 | C17 | sing | 1.49Å | 1.57Å | |
| C18 | C17 | sing | 1.55Å | 1.54Å | |
| C18 | C19 | sing | 1.54Å | 1.52Å | |
| C01 | C02 | sing | 1.53Å | 1.55Å | |
| N1 | C60 | sing | 1.35Å | 1.34Å | |
| N1 | C03 | sing | 1.47Å | 1.46Å | |
| C33 | C35 | sing | 1.53Å | 1.55Å | |
| C60 | O1 | doub | 1.21Å | 1.23Å | |
| O29 | C30 | sing | 1.43Å | 1.41Å | |
| O29 | C28 | sing | 1.42Å | 1.45Å | |
| C30 | O45 | sing | 1.43Å | 1.41Å | |
| C17 | C16 | sing | 1.49Å | 1.54Å | |
| C02 | C03 | sing | 1.53Å | 1.55Å | |
| C02 | C08 | sing | 1.50Å | 1.53Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C28 | C09 | sing | 1.51Å | 1.54Å | |
| C35 | O36 | sing | 1.43Å | 1.43Å | |
| C35 | C37 | sing | 1.53Å | 1.56Å | |
| O45 | C37 | sing | 1.43Å | 1.46Å | |
| C08 | C09 | doub | 1.31Å | 1.35Å | |
| C08 | C13 | sing | 1.51Å | 1.52Å | |
| C09 | C10 | sing | 1.51Å | 1.54Å | |
| C16 | C20 | sing | 1.53Å | 1.53Å | |
| C16 | C15 | doub | 1.31Å | 1.35Å | |
| C20 | C21 | sing | 1.53Å | 1.55Å | |
| C37 | C38 | sing | 1.53Å | 1.54Å | |
| C21 | O22 | sing | 1.43Å | 1.43Å | |
| C13 | C11 | sing | 1.54Å | 1.51Å | |
| C15 | C10 | sing | 1.49Å | 1.54Å | |
| C10 | C14 | sing | 1.53Å | 1.56Å | |
| C10 | C11 | sing | 1.55Å | 1.55Å | |
| O22 | C23 | sing | 1.43Å | 1.42Å | |
| O39 | C38 | sing | 1.43Å | 1.42Å | |
| O39 | C40 | sing | 1.43Å | 1.43Å | |
| C11 | O12 | sing | 1.42Å | 1.42Å | |
| C44 | C40 | sing | 1.53Å | 1.54Å | |
| C41 | C40 | sing | 1.53Å | 1.53Å | |
| C40 | C42 | sing | 1.51Å | 1.53Å | |
| C42 | C43 | doub | 1.31Å | 1.34Å | |
| C26 | HC26 | sing | 1.12Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H253 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C24 | HC24 | sing | 1.14Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H233 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C20 | HC20 | sing | 1.09Å | 1.10Å | |
| C31 | HC31 | sing | 1.09Å | 1.10Å | |
| C30 | HC30 | sing | 1.09Å | 1.10Å | |
| C28 | HC28 | sing | 1.12Å | 1.10Å | |
| C18 | H181 | sing | 1.08Å | 1.10Å | |
| C18 | H182 | sing | 1.08Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | HC11 | sing | 1.08Å | 1.10Å | |
| C13 | H131 | sing | 1.08Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C14 | H143 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C15 | HC15 | sing | 1.11Å | 1.08Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C17 | HC17 | sing | 1.13Å | 1.10Å | |
| CAA | HAA1 | sing | 1.09Å | 1.10Å | |
| CAA | HAA2 | sing | 1.09Å | 1.10Å | |
| NAT | HNAT | sing | 0.97Å | 1.00Å | |
| CBE | HCBE | sing | 1.09Å | 1.10Å | |
| CAD | HAD2 | sing | 1.09Å | 1.10Å | |
| CAD | HAD1 | sing | 1.09Å | 1.10Å | |
| CAD | HAD3 | sing | 1.09Å | 1.10Å | |
| CAE | HAE3 | sing | 1.09Å | 1.10Å | |
| CAE | HAE2 | sing | 1.09Å | 1.10Å | |
| CAE | HAE1 | sing | 1.09Å | 1.10Å | |
| CAC | HAC3 | sing | 1.09Å | 1.10Å | |
| CAC | HAC2 | sing | 1.09Å | 1.10Å | |
| CAC | HAC1 | sing | 1.09Å | 1.10Å | |
| CD2 | HD22 | sing | 1.09Å | 1.10Å | |
| CD2 | HD21 | sing | 1.09Å | 1.10Å | |
| CG | HG | sing | 1.09Å | 1.10Å | |
| OD1 | HOD1 | sing | 0.97Å | 0.95Å | |
| CB | HB1 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| NAS | HNAS | sing | 0.97Å | 1.00Å | |
| CAO | HAO2 | sing | 1.09Å | 1.10Å | |
| CAO | HAO1 | sing | 1.09Å | 1.10Å | |
| CAK | HCAK | sing | 1.08Å | 1.08Å | |
| CAM | HCAM | sing | 1.08Å | 1.08Å | |
| CAJ | HCAJ | sing | 1.08Å | 1.08Å | |
| CAL | HCAL | sing | 1.08Å | 1.08Å | |
| CAN | HCAN | sing | 1.08Å | 1.08Å | |
| CAB | HAB1 | sing | 1.09Å | 1.10Å | |
| CAB | HAB3 | sing | 1.09Å | 1.10Å | |
| CAB | HAB2 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C02 | HC02 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C33 | HC33 | sing | 1.09Å | 1.10Å | |
| C35 | HC35 | sing | 1.09Å | 1.10Å | |
| C37 | HC37 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C41 | H413 | sing | 1.09Å | 1.10Å | |
| C41 | H412 | sing | 1.09Å | 1.10Å | |
| C42 | HC42 | sing | 1.08Å | 1.08Å | |
| C43 | H432 | sing | 1.08Å | 1.08Å | |
| C43 | H431 | sing | 1.08Å | 1.08Å | |
| C44 | H442 | sing | 1.09Å | 1.10Å | |
| C44 | H441 | sing | 1.09Å | 1.10Å | |
| C44 | H443 | sing | 1.09Å | 1.10Å | |
| O12 | HO12 | sing | 0.97Å | 0.95Å | |
| O27 | HO27 | sing | 0.97Å | 0.95Å | |
| O32 | HO32 | sing | 0.97Å | 0.95Å | |
| O34 | HO34 | sing | 0.97Å | 0.95Å | |
| O36 | HO36 | sing | 0.97Å | 0.95Å | |
| C61 | H94 | sing | 1.09Å | 1.10Å | |
| C61 | H95 | sing | 1.09Å | 1.10Å | |
| C62 | H18 | sing | 1.09Å | 1.10Å | |
| C62 | H11 | sing | 1.09Å | 1.10Å | |
| C63 | H12 | sing | 1.09Å | 1.10Å | |
| C63 | H13 | sing | 1.09Å | 1.10Å | |
| C64 | H15 | sing | 1.09Å | 1.10Å | |
| C64 | H14 | sing | 1.09Å | 1.10Å | |
| C65 | H17 | sing | 1.09Å | 1.10Å | |
| C65 | H16 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAR | CAN | SAU | 116.7° | 110.4° |
| CAN | NAR | CAZ | 109.6° | 117.3° |
| NAR | CAN | HCAN | 121.7° | 124.8° |
| CAN | SAU | CBB | 87.8° | 90.3° |
| SAU | CAN | HCAN | 121.6° | 124.8° |
| NAR | CAZ | CBB | 117.4° | 114.2° |
| NAR | CAZ | CAB | 116.1° | 122.9° |
| SAU | CBB | CAZ | 108.5° | 107.8° |
| SAU | CBB | CBA | 121.9° | 126.1° |
| CBB | CAZ | CAB | 126.5° | 122.9° |
| CAZ | CBB | CBA | 129.5° | 126.1° |
| CAZ | CAB | HAB1 | 109.5° | 109.5° |
| CAZ | CAB | HAB3 | 109.5° | 109.5° |
| CAZ | CAB | HAB2 | 109.5° | 109.5° |
| CBB | CBA | CAM | 120.3° | 120.2° |
| CBB | CBA | CAL | 119.5° | 120.2° |
| CAM | CBA | CAL | 120.1° | 119.7° |
| CBA | CAM | CAK | 119.9° | 119.9° |
| CBA | CAM | HCAM | 120.0° | 120.1° |
| CBA | CAL | CAJ | 120.1° | 119.9° |
| CBA | CAL | HCAL | 119.9° | 120.0° |
| CAM | CAK | CAY | 119.8° | 120.2° |
| CAM | CAK | HCAK | 120.1° | 119.9° |
| CAK | CAM | HCAM | 120.0° | 120.1° |
| CAL | CAJ | CAY | 120.2° | 120.2° |
| CAL | CAJ | HCAJ | 119.9° | 120.0° |
| CAJ | CAL | HCAL | 120.0° | 120.1° |
| CAK | CAY | CAJ | 119.6° | 120.3° |
| CAK | CAY | CAO | 121.3° | 119.9° |
| CAY | CAK | HCAK | 120.1° | 119.9° |
| CAJ | CAY | CAO | 119.0° | 119.9° |
| CAY | CAJ | HCAJ | 119.9° | 119.9° |
| CAY | CAO | NAS | 114.9° | 109.5° |
| CAY | CAO | HAO2 | 108.1° | 109.5° |
| CAY | CAO | HAO1 | 108.1° | 109.5° |
| CG | CB | CA | 105.8° | 103.0° |
| CB | CG | OD1 | 106.3° | 111.0° |
| CB | CG | CD2 | 101.3° | 101.6° |
| CB | CG | HG | 111.9° | 111.0° |
| CG | CB | HB1 | 110.4° | 110.7° |
| CG | CB | HB2 | 110.4° | 110.7° |
| CB | CA | C | 110.6° | 109.8° |
| CB | CA | N | 104.4° | 107.3° |
| CA | CB | HB1 | 110.4° | 110.9° |
| CA | CB | HB2 | 110.4° | 110.6° |
| CB | CA | HA | 108.2° | 109.9° |
| OD1 | CG | CD2 | 111.6° | 111.0° |
| OD1 | CG | HG | 113.5° | 110.9° |
| CG | OD1 | HOD1 | 109.5° | 114.0° |
| CG | CD2 | N | 104.4° | 104.8° |
| CG | CD2 | HD22 | 110.7° | 110.4° |
| CG | CD2 | HD21 | 110.7° | 110.5° |
| CD2 | CG | HG | 111.5° | 111.0° |
| CAO | NAS | C | 124.6° | 120.0° |
| CAO | NAS | HNAS | 117.7° | 120.0° |
| NAS | CAO | HAO2 | 108.1° | 109.5° |
| NAS | CAO | HAO1 | 108.1° | 109.4° |
| O | C | NAS | 122.6° | 120.0° |
| O | C | CA | 121.3° | 120.0° |
| NAS | C | CA | 115.9° | 120.0° |
| C | NAS | HNAS | 117.7° | 120.0° |
| C | CA | N | 116.1° | 110.2° |
| C | CA | HA | 108.3° | 109.8° |
| CD2 | N | CA | 109.6° | 108.7° |
| CD2 | N | CAX | 127.3° | 125.6° |
| N | CD2 | HD22 | 110.7° | 110.3° |
| N | CD2 | HD21 | 110.7° | 110.3° |
| CA | N | CAX | 123.0° | 125.7° |
| N | CA | HA | 109.0° | 109.8° |
| N | CAX | OAH | 121.1° | 120.0° |
| N | CAX | CBE | 120.6° | 120.0° |
| CAE | CBG | CBE | 112.1° | 109.5° |
| CAE | CBG | CAD | 107.8° | 109.5° |
| CAE | CBG | CAC | 107.6° | 109.5° |
| CBG | CAE | HAE3 | 109.5° | 109.5° |
| CBG | CAE | HAE2 | 109.5° | 109.5° |
| CBG | CAE | HAE1 | 109.5° | 109.5° |
| OAH | CAX | CBE | 118.2° | 120.0° |
| CAX | CBE | CBG | 115.9° | 109.5° |
| CAX | CBE | NAT | 106.5° | 109.5° |
| CAX | CBE | HCBE | 106.8° | 109.5° |
| CBG | CBE | NAT | 112.5° | 109.4° |
| CBE | CBG | CAD | 109.8° | 109.5° |
| CBE | CBG | CAC | 112.1° | 109.5° |
| CBG | CBE | HCBE | 106.7° | 109.4° |
| CBE | NAT | CAV | 127.1° | 120.0° |
| CBE | NAT | HNAT | 116.4° | 120.0° |
| NAT | CBE | HCBE | 108.0° | 109.5° |
| CAD | CBG | CAC | 107.2° | 109.5° |
| CBG | CAD | HAD2 | 109.5° | 109.4° |
| CBG | CAD | HAD1 | 109.5° | 109.5° |
| CBG | CAD | HAD3 | 109.4° | 109.4° |
| CBG | CAC | HAC3 | 109.5° | 109.5° |
| CBG | CAC | HAC2 | 109.5° | 109.5° |
| CBG | CAC | HAC1 | 109.5° | 109.5° |
| NAT | CAV | OAF | 123.4° | 120.0° |
| NAT | CAV | CAA | 115.6° | 120.0° |
| CAV | NAT | HNAT | 116.5° | 120.0° |
| OAF | CAV | CAA | 120.8° | 120.0° |
| CAV | CAA | C1 | 114.3° | 109.4° |
| CAV | CAA | HAA1 | 108.3° | 109.5° |
| CAV | CAA | HAA2 | 108.2° | 109.4° |
| CAA | C1 | C2 | 111.4° | 109.5° |
| CAA | C1 | H1 | 108.9° | 109.5° |
| CAA | C1 | H2 | 109.0° | 109.4° |
| C1 | CAA | HAA1 | 108.3° | 109.5° |
| C1 | CAA | HAA2 | 108.3° | 109.5° |
| C1 | C2 | C3 | 114.9° | 109.5° |
| C1 | C2 | H3 | 108.1° | 109.5° |
| C1 | C2 | H4 | 108.1° | 109.5° |
| C2 | C1 | H1 | 109.0° | 109.5° |
| C2 | C1 | H2 | 109.0° | 109.5° |
| C2 | C3 | C4 | 112.7° | 109.5° |
| C2 | C3 | H5 | 108.7° | 109.5° |
| C2 | C3 | H6 | 108.7° | 109.4° |
| C3 | C2 | H3 | 108.1° | 109.5° |
| C3 | C2 | H4 | 108.1° | 109.4° |
| C3 | C4 | C5 | 112.3° | 109.4° |
| C3 | C4 | H7 | 108.7° | 109.4° |
| C3 | C4 | H8 | 108.7° | 109.5° |
| C4 | C3 | H5 | 108.6° | 109.5° |
| C4 | C3 | H6 | 108.6° | 109.4° |
| C4 | C5 | C65 | 114.8° | 109.5° |
| C5 | C4 | H7 | 108.8° | 109.5° |
| C5 | C4 | H8 | 108.8° | 109.5° |
| C4 | C5 | H10 | 108.1° | 109.4° |
| C4 | C5 | H9 | 108.2° | 109.5° |
| C5 | C65 | C64 | 110.8° | 109.5° |
| C65 | C5 | H10 | 108.2° | 109.5° |
| C65 | C5 | H9 | 108.1° | 109.5° |
| C5 | C65 | H17 | 109.1° | 109.5° |
| C5 | C65 | H16 | 109.1° | 109.5° |
| C65 | C64 | C63 | 116.1° | 109.5° |
| C65 | C64 | H15 | 107.8° | 109.5° |
| C65 | C64 | H14 | 107.8° | 109.5° |
| C64 | C65 | H17 | 109.2° | 109.4° |
| C64 | C65 | H16 | 109.2° | 109.5° |
| O32 | C31 | C33 | 114.5° | 109.6° |
| O32 | C31 | C30 | 114.3° | 109.5° |
| O32 | C31 | HC31 | 106.6° | 109.5° |
| C31 | O32 | HO32 | 109.5° | 114.0° |
| C61 | C62 | C63 | 116.4° | 109.5° |
| C62 | C61 | C60 | 114.7° | 109.5° |
| C62 | C61 | H94 | 108.1° | 109.5° |
| C62 | C61 | H95 | 108.1° | 109.5° |
| C61 | C62 | H18 | 107.7° | 109.5° |
| C61 | C62 | H11 | 107.7° | 109.5° |
| C62 | C63 | C64 | 113.9° | 109.5° |
| C63 | C62 | H18 | 107.7° | 109.5° |
| C63 | C62 | H11 | 107.7° | 109.5° |
| C62 | C63 | H12 | 108.4° | 109.5° |
| C62 | C63 | H13 | 108.3° | 109.4° |
| O27 | C26 | C24 | 107.4° | 111.3° |
| O27 | C26 | C28 | 110.4° | 111.4° |
| O27 | C26 | HC26 | 108.2° | 104.8° |
| C26 | O27 | HO27 | 109.5° | 114.0° |
| C64 | C63 | H12 | 108.3° | 109.5° |
| C64 | C63 | H13 | 108.4° | 109.5° |
| C63 | C64 | H15 | 107.8° | 109.5° |
| C63 | C64 | H14 | 107.8° | 109.5° |
| C61 | C60 | N1 | 117.9° | 120.0° |
| C61 | C60 | O1 | 120.4° | 120.0° |
| C60 | C61 | H94 | 108.1° | 109.4° |
| C60 | C61 | H95 | 108.2° | 109.4° |
| O34 | C33 | C31 | 112.5° | 109.5° |
| O34 | C33 | C35 | 112.0° | 109.6° |
| O34 | C33 | HC33 | 108.2° | 109.6° |
| C33 | O34 | HO34 | 109.5° | 114.0° |
| C24 | C26 | C28 | 117.4° | 114.7° |
| C26 | C24 | C25 | 113.3° | 111.5° |
| C26 | C24 | C17 | 112.0° | 118.1° |
| C24 | C26 | HC26 | 106.6° | 107.0° |
| C26 | C24 | HC24 | 105.2° | 104.4° |
| C26 | C28 | O29 | 108.5° | 117.0° |
| C26 | C28 | C09 | 114.3° | 101.5° |
| C28 | C26 | HC26 | 106.5° | 106.9° |
| C26 | C28 | HC28 | 107.8° | 108.6° |
| C33 | C31 | C30 | 110.0° | 109.2° |
| C31 | C33 | C35 | 110.2° | 109.0° |
| C33 | C31 | HC31 | 105.2° | 109.5° |
| C31 | C33 | HC33 | 106.8° | 109.5° |
| C31 | C30 | O29 | 110.1° | 109.5° |
| C31 | C30 | O45 | 108.5° | 109.5° |
| C30 | C31 | HC31 | 105.2° | 109.5° |
| C31 | C30 | HC30 | 108.4° | 109.5° |
| C25 | C24 | C17 | 115.0° | 113.1° |
| C24 | C25 | H251 | 109.5° | 109.4° |
| C24 | C25 | H253 | 109.5° | 109.5° |
| C24 | C25 | H252 | 109.5° | 109.5° |
| C25 | C24 | HC24 | 105.2° | 103.0° |
| C24 | C17 | C18 | 113.5° | 111.3° |
| C24 | C17 | C16 | 115.8° | 130.4° |
| C17 | C24 | HC24 | 105.1° | 104.9° |
| C24 | C17 | HC17 | 107.5° | 105.9° |
| C17 | C18 | C19 | 104.7° | 101.4° |
| C18 | C17 | C16 | 104.0° | 97.9° |
| C17 | C18 | H181 | 110.6° | 110.3° |
| C17 | C18 | H182 | 110.6° | 110.7° |
| C18 | C17 | HC17 | 107.8° | 102.6° |
| C18 | C19 | C20 | 103.5° | 106.2° |
| C18 | C19 | H191 | 110.9° | 109.8° |
| C18 | C19 | H192 | 110.9° | 110.0° |
| C19 | C18 | H181 | 110.6° | 111.0° |
| C19 | C18 | H182 | 110.6° | 109.9° |
| C01 | C02 | C03 | 112.8° | 109.5° |
| C01 | C02 | C08 | 112.1° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.4° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C01 | C02 | HC02 | 106.4° | 109.5° |
| C60 | N1 | C03 | 124.4° | 120.0° |
| N1 | C60 | O1 | 121.7° | 120.0° |
| C60 | N1 | HN1 | 117.8° | 120.0° |
| N1 | C03 | C02 | 114.7° | 109.5° |
| C03 | N1 | HN1 | 117.8° | 120.0° |
| N1 | C03 | H032 | 108.1° | 109.5° |
| N1 | C03 | H031 | 108.2° | 109.5° |
| C33 | C35 | O36 | 107.7° | 109.5° |
| C33 | C35 | C37 | 110.6° | 109.2° |
| C35 | C33 | HC33 | 106.7° | 109.6° |
| C33 | C35 | HC35 | 107.6° | 109.5° |
| C30 | O29 | C28 | 116.6° | 114.0° |
| O29 | C30 | O45 | 109.3° | 109.5° |
| O29 | C30 | HC30 | 110.3° | 109.4° |
| O29 | C28 | C09 | 108.7° | 114.3° |
| O29 | C28 | HC28 | 109.3° | 106.2° |
| C30 | O45 | C37 | 114.3° | 114.1° |
| O45 | C30 | HC30 | 110.2° | 109.5° |
| C17 | C16 | C20 | 107.1° | 105.6° |
| C17 | C16 | C15 | 129.1° | 134.9° |
| C16 | C17 | HC17 | 107.8° | 105.6° |
| C03 | C02 | C08 | 112.1° | 109.5° |
| C03 | C02 | HC02 | 106.3° | 109.5° |
| C02 | C03 | H032 | 108.2° | 109.4° |
| C02 | C03 | H031 | 108.2° | 109.5° |
| C02 | C08 | C09 | 129.9° | 125.9° |
| C02 | C08 | C13 | 119.7° | 123.6° |
| C08 | C02 | HC02 | 106.6° | 109.4° |
| C19 | C20 | C16 | 105.9° | 102.6° |
| C19 | C20 | C21 | 112.7° | 109.8° |
| C20 | C19 | H191 | 110.9° | 110.1° |
| C20 | C19 | H192 | 110.9° | 110.1° |
| C19 | C20 | HC20 | 108.2° | 111.6° |
| C28 | C09 | C08 | 127.1° | 124.6° |
| C28 | C09 | C10 | 122.3° | 126.9° |
| C09 | C28 | HC28 | 108.1° | 109.1° |
| O36 | C35 | C37 | 114.0° | 109.5° |
| O36 | C35 | HC35 | 109.2° | 109.5° |
| C35 | O36 | HO36 | 109.5° | 114.0° |
| C35 | C37 | O45 | 113.0° | 109.4° |
| C35 | C37 | C38 | 111.1° | 109.5° |
| C37 | C35 | HC35 | 107.5° | 109.6° |
| C35 | C37 | HC37 | 107.3° | 109.5° |
| O45 | C37 | C38 | 109.2° | 109.5° |
| O45 | C37 | HC37 | 108.5° | 109.5° |
| C09 | C08 | C13 | 110.4° | 110.4° |
| C08 | C09 | C10 | 110.5° | 108.5° |
| C08 | C13 | C11 | 102.2° | 105.0° |
| C08 | C13 | H131 | 111.2° | 110.4° |
| C08 | C13 | H132 | 111.3° | 109.8° |
| C09 | C10 | C15 | 116.9° | 108.4° |
| C09 | C10 | C14 | 112.4° | 114.8° |
| C09 | C10 | C11 | 99.8° | 103.8° |
| C20 | C16 | C15 | 123.7° | 119.4° |
| C16 | C20 | C21 | 113.6° | 111.2° |
| C16 | C20 | HC20 | 108.2° | 109.8° |
| C16 | C15 | C10 | 131.7° | 128.2° |
| C16 | C15 | HC15 | 114.2° | 115.8° |
| C20 | C21 | O22 | 110.3° | 109.5° |
| C20 | C21 | H211 | 109.3° | 109.5° |
| C20 | C21 | H212 | 109.3° | 109.5° |
| C21 | C20 | HC20 | 108.0° | 111.5° |
| C37 | C38 | O39 | 110.9° | 109.5° |
| C38 | C37 | HC37 | 107.6° | 109.5° |
| C37 | C38 | H381 | 109.1° | 109.5° |
| C37 | C38 | H382 | 109.1° | 109.5° |
| C21 | O22 | C23 | 112.0° | 114.0° |
| O22 | C21 | H211 | 109.3° | 109.5° |
| O22 | C21 | H212 | 109.3° | 109.4° |
| C13 | C11 | C10 | 104.9° | 97.9° |
| C13 | C11 | O12 | 111.8° | 110.6° |
| C13 | C11 | HC11 | 107.2° | 112.0° |
| C11 | C13 | H131 | 111.3° | 110.4° |
| C11 | C13 | H132 | 111.3° | 109.8° |
| C15 | C10 | C14 | 106.7° | 113.6° |
| C15 | C10 | C11 | 111.6° | 107.4° |
| C10 | C15 | HC15 | 114.2° | 116.0° |
| C14 | C10 | C11 | 109.2° | 108.2° |
| C10 | C14 | H143 | 109.5° | 109.4° |
| C10 | C14 | H142 | 109.5° | 109.5° |
| C10 | C14 | H141 | 109.5° | 109.5° |
| C10 | C11 | O12 | 117.3° | 111.1° |
| C10 | C11 | HC11 | 106.8° | 110.9° |
| O22 | C23 | H231 | 109.5° | 109.4° |
| O22 | C23 | H233 | 109.4° | 109.5° |
| O22 | C23 | H232 | 109.5° | 109.5° |
| C38 | O39 | C40 | 117.3° | 114.0° |
| O39 | C38 | H381 | 109.1° | 109.4° |
| O39 | C38 | H382 | 109.1° | 109.5° |
| O39 | C40 | C44 | 106.2° | 109.5° |
| O39 | C40 | C41 | 103.6° | 109.5° |
| O39 | C40 | C42 | 112.9° | 109.5° |
| O12 | C11 | HC11 | 108.4° | 113.3° |
| C11 | O12 | HO12 | 109.5° | 114.0° |
| C44 | C40 | C41 | 109.3° | 109.4° |
| C44 | C40 | C42 | 115.1° | 109.4° |
| C40 | C44 | H442 | 109.5° | 109.5° |
| C40 | C44 | H441 | 109.5° | 109.4° |
| C40 | C44 | H443 | 109.5° | 109.5° |
| C41 | C40 | C42 | 109.1° | 109.5° |
| C40 | C41 | H411 | 109.5° | 109.5° |
| C40 | C41 | H413 | 109.5° | 109.5° |
| C40 | C41 | H412 | 109.5° | 109.5° |
| C40 | C42 | C43 | 127.7° | 120.0° |
| C40 | C42 | HC42 | 116.2° | 120.0° |
| C43 | C42 | HC42 | 116.1° | 120.0° |
| C42 | C43 | H432 | 120.0° | 120.0° |
| C42 | C43 | H431 | 120.0° | 120.0° |
| H191 | C19 | H192 | 109.5° | 110.6° |
| H251 | C25 | H253 | 109.5° | 109.5° |
| H251 | C25 | H252 | 109.5° | 109.5° |
| H253 | C25 | H252 | 109.5° | 109.5° |
| H231 | C23 | H233 | 109.5° | 109.4° |
| H231 | C23 | H232 | 109.5° | 109.4° |
| H233 | C23 | H232 | 109.5° | 109.5° |
| H211 | C21 | H212 | 109.4° | 109.4° |
| H181 | C18 | H182 | 109.5° | 113.0° |
| H7 | C4 | H8 | 109.5° | 109.5° |
| H5 | C3 | H6 | 109.5° | 109.5° |
| H3 | C2 | H4 | 109.5° | 109.4° |
| H10 | C5 | H9 | 109.4° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H131 | C13 | H132 | 109.5° | 111.3° |
| H143 | C14 | H142 | 109.5° | 109.5° |
| H143 | C14 | H141 | 109.5° | 109.5° |
| H142 | C14 | H141 | 109.5° | 109.5° |
| HAA1 | CAA | HAA2 | 109.4° | 109.5° |
| HAD2 | CAD | HAD1 | 109.5° | 109.5° |
| HAD2 | CAD | HAD3 | 109.5° | 109.5° |
| HAD1 | CAD | HAD3 | 109.5° | 109.5° |
| HAE3 | CAE | HAE2 | 109.5° | 109.5° |
| HAE3 | CAE | HAE1 | 109.5° | 109.4° |
| HAE2 | CAE | HAE1 | 109.4° | 109.5° |
| HAC3 | CAC | HAC2 | 109.5° | 109.5° |
| HAC3 | CAC | HAC1 | 109.4° | 109.4° |
| HAC2 | CAC | HAC1 | 109.5° | 109.5° |
| HD22 | CD2 | HD21 | 109.5° | 110.3° |
| HB1 | CB | HB2 | 109.4° | 110.8° |
| HAO2 | CAO | HAO1 | 109.5° | 109.4° |
| HAB1 | CAB | HAB3 | 109.5° | 109.4° |
| HAB1 | CAB | HAB2 | 109.5° | 109.5° |
| HAB3 | CAB | HAB2 | 109.5° | 109.5° |
| H012 | C01 | H011 | 109.5° | 109.5° |
| H012 | C01 | H013 | 109.5° | 109.5° |
| H011 | C01 | H013 | 109.5° | 109.4° |
| H032 | C03 | H031 | 109.4° | 109.5° |
| H381 | C38 | H382 | 109.5° | 109.4° |
| H411 | C41 | H413 | 109.4° | 109.4° |
| H411 | C41 | H412 | 109.5° | 109.5° |
| H413 | C41 | H412 | 109.5° | 109.5° |
| H432 | C43 | H431 | 120.0° | 120.0° |
| H442 | C44 | H441 | 109.4° | 109.5° |
| H442 | C44 | H443 | 109.5° | 109.5° |
| H441 | C44 | H443 | 109.5° | 109.5° |
| H94 | C61 | H95 | 109.5° | 109.5° |
| H18 | C62 | H11 | 109.4° | 109.4° |
| H12 | C63 | H13 | 109.5° | 109.5° |
| H15 | C64 | H14 | 109.5° | 109.4° |
| H17 | C65 | H16 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAR | CAN | SAU | HCAN | 180.0° | 179.6° |
| NAR | CAN | SAU | CBB | 0.3° | 0.0° |
| CAN | NAR | CAZ | CBB | 1.5° | 0.6° |
| CAN | NAR | CAZ | CAB | 177.9° | 180.0° |
| SAU | CAN | NAR | CAZ | 1.0° | 0.4° |
| CAN | SAU | CBB | CAZ | 0.6° | 0.3° |
| CAN | SAU | CBB | CBA | 179.6° | 180.0° |
| NAR | CAZ | CBB | SAU | 1.4° | 0.5° |
| NAR | CAZ | CBB | CAB | 179.4° | 179.4° |
| NAR | CAZ | CBB | CBA | 179.7° | 179.8° |
| CAZ | NAR | CAN | HCAN | 179.0° | 180.0° |
| NAR | CAZ | CAB | HAB1 | 0.0° | 95.4° |
| NAR | CAZ | CAB | HAB3 | 120.0° | 144.7° |
| NAR | CAZ | CAB | HAB2 | 120.0° | 24.7° |
| SAU | CBB | CAZ | CBA | 178.9° | 179.7° |
| SAU | CBB | CAZ | CAB | 178.0° | 180.0° |
| SAU | CBB | CBA | CAM | 55.0° | 47.3° |
| SAU | CBB | CBA | CAL | 128.9° | 132.4° |
| CBB | SAU | CAN | HCAN | 179.8° | 179.7° |
| CAZ | CBB | CBA | CAM | 123.8° | 133.1° |
| CAZ | CBB | CBA | CAL | 52.3° | 47.2° |
| CBB | CAZ | CAB | HAB1 | 179.4° | 85.2° |
| CBB | CAZ | CAB | HAB3 | 60.6° | 34.7° |
| CBB | CAZ | CAB | HAB2 | 59.4° | 154.7° |
| CAB | CAZ | CBB | CBA | 0.9° | 0.3° |
| CAZ | CAB | HAB1 | HAB3 | 120.0° | 120.0° |
| CAZ | CAB | HAB1 | HAB2 | 120.0° | 120.0° |
| CAZ | CAB | HAB3 | HAB2 | 120.0° | 120.0° |
| CBB | CBA | CAM | CAL | 176.2° | 179.7° |
| CBB | CBA | CAM | CAK | 172.9° | 180.0° |
| CBB | CBA | CAL | CAJ | 171.7° | 180.0° |
| CBB | CBA | CAM | HCAM | 7.1° | 0.0° |
| CBB | CBA | CAL | HCAL | 8.3° | 0.0° |
| CBA | CAM | CAK | HCAM | 180.0° | 179.9° |
| CAM | CBA | CAL | CAJ | 4.4° | 0.3° |
| CBA | CAM | CAK | CAY | 1.0° | 0.0° |
| CBA | CAM | CAK | HCAK | 178.9° | 180.0° |
| CAM | CBA | CAL | HCAL | 175.5° | 179.7° |
| CAL | CBA | CAM | CAK | 3.2° | 0.3° |
| CBA | CAL | CAJ | HCAL | 180.0° | 179.9° |
| CBA | CAL | CAJ | CAY | 1.3° | 0.0° |
| CAL | CBA | CAM | HCAM | 176.8° | 179.8° |
| CBA | CAL | CAJ | HCAJ | 178.6° | 179.9° |
| CAM | CAK | CAY | HCAK | 180.0° | 180.0° |
| CAM | CAK | CAY | CAJ | 4.1° | 0.3° |
| CAM | CAK | CAY | CAO | 179.0° | 180.0° |
| CAL | CAJ | CAY | CAK | 2.9° | 0.3° |
| CAL | CAJ | CAY | HCAJ | 180.0° | 180.0° |
| CAL | CAJ | CAY | CAO | 179.8° | 180.0° |
| CAK | CAY | CAJ | CAO | 176.9° | 179.7° |
| CAK | CAY | CAO | NAS | 22.5° | 90.0° |
| CAK | CAY | CAO | HAO2 | 98.3° | 30.0° |
| CAK | CAY | CAO | HAO1 | 143.3° | 150.0° |
| CAY | CAK | CAM | HCAM | 179.0° | 179.9° |
| CAK | CAY | CAJ | HCAJ | 177.1° | 179.7° |
| CAJ | CAY | CAO | NAS | 154.4° | 90.3° |
| CAJ | CAY | CAO | HAO2 | 84.8° | 149.7° |
| CAJ | CAY | CAO | HAO1 | 33.6° | 29.7° |
| CAJ | CAY | CAK | HCAK | 175.9° | 179.7° |
| CAY | CAJ | CAL | HCAL | 178.6° | 180.0° |
| CAY | CAO | NAS | HAO2 | 120.8° | 120.1° |
| CAY | CAO | NAS | HAO1 | 120.8° | 120.0° |
| CAY | CAO | NAS | C | 80.6° | 180.0° |
| CAY | CAO | NAS | HNAS | 99.4° | 0.0° |
| CAY | CAO | HAO2 | HAO1 | 117.5° | 120.0° |
| CAO | CAY | CAK | HCAK | 1.0° | 0.0° |
| CAO | CAY | CAJ | HCAJ | 0.2° | 0.1° |
| CG | CB | CA | HB1 | 119.4° | 118.4° |
| CG | CB | CA | HB2 | 119.4° | 118.4° |
| CB | CG | OD1 | CD2 | 109.6° | 112.2° |
| CB | CG | OD1 | HG | 123.4° | 123.9° |
| CB | CG | CD2 | HG | 119.2° | 118.0° |
| CG | CB | CA | C | 146.0° | 141.7° |
| CB | CG | CD2 | N | 36.9° | 37.0° |
| CG | CB | CA | N | 20.4° | 21.9° |
| CB | CG | CD2 | HD22 | 82.3° | 155.8° |
| CB | CG | CD2 | HD21 | 156.1° | 81.8° |
| CB | CG | OD1 | HOD1 | 180.0° | 173.6° |
| CG | CB | HB1 | HB2 | 121.7° | 123.2° |
| CG | CB | CA | HA | 95.6° | 97.4° |
| CA | CB | CG | OD1 | 81.7° | 82.8° |
| CA | CB | CG | CD2 | 35.0° | 35.3° |
| CB | CA | C | O | 82.7° | 118.6° |
| CB | CA | C | NAS | 91.3° | 61.5° |
| CB | CA | C | N | 118.7° | 118.0° |
| CB | CA | C | HA | 118.4° | 121.0° |
| CB | CA | N | CD2 | 3.5° | 1.4° |
| CB | CA | N | HA | 115.5° | 119.4° |
| CB | CA | N | CAX | 173.2° | 178.9° |
| CA | CB | CG | HG | 153.9° | 153.4° |
| CA | CB | HB1 | HB2 | 121.7° | 123.1° |
| OD1 | CG | CD2 | HG | 128.1° | 123.9° |
| OD1 | CG | CD2 | N | 75.8° | 81.1° |
| OD1 | CG | CD2 | HD22 | 165.0° | 37.8° |
| OD1 | CG | CD2 | HD21 | 43.3° | 160.1° |
| OD1 | CG | CB | HB1 | 37.7° | 35.8° |
| OD1 | CG | CB | HB2 | 158.9° | 159.0° |
| CG | CD2 | N | HD22 | 119.2° | 118.8° |
| CG | CD2 | N | HD21 | 119.2° | 119.0° |
| CG | CD2 | N | CA | 25.6° | 24.4° |
| CG | CD2 | N | CAX | 150.9° | 155.9° |
| CG | CD2 | HD22 | HD21 | 122.3° | 122.4° |
| CD2 | CG | OD1 | HOD1 | 70.4° | 61.4° |
| CD2 | CG | CB | HB1 | 154.4° | 153.9° |
| CD2 | CG | CB | HB2 | 84.4° | 82.9° |
| CAO | NAS | C | O | 1.8° | 0.1° |
| CAO | NAS | C | HNAS | 180.0° | 180.0° |
| CAO | NAS | C | CA | 172.1° | 180.0° |
| NAS | CAO | HAO2 | HAO1 | 117.5° | 119.9° |
| O | C | NAS | CA | 173.9° | 179.9° |
| O | C | CA | N | 36.0° | 0.6° |
| O | C | CA | HA | 159.0° | 120.4° |
| O | C | NAS | HNAS | 178.2° | 179.9° |
| NAS | C | CA | N | 150.0° | 179.5° |
| NAS | C | CA | HA | 27.1° | 59.5° |
| C | NAS | CAO | HAO2 | 158.6° | 59.9° |
| C | NAS | CAO | HAO1 | 40.2° | 60.0° |
| C | CA | N | CD2 | 118.5° | 118.2° |
| C | CA | N | HA | 122.5° | 121.1° |
| C | CA | N | CAX | 64.8° | 61.6° |
| C | CA | CB | HB1 | 94.6° | 100.0° |
| C | CA | CB | HB2 | 26.5° | 23.3° |
| CA | C | NAS | HNAS | 7.9° | 0.0° |
| CD2 | N | CA | CAX | 176.7° | 179.7° |
| CD2 | N | CAX | OAH | 179.4° | 174.6° |
| CD2 | N | CAX | CBE | 2.1° | 5.5° |
| N | CD2 | HD22 | HD21 | 122.3° | 122.2° |
| N | CD2 | CG | HG | 156.1° | 155.1° |
| CD2 | N | CA | HA | 119.0° | 120.8° |
| CA | N | CAX | OAH | 3.3° | 5.1° |
| CA | N | CAX | CBE | 174.0° | 174.8° |
| CA | N | CD2 | HD22 | 93.6° | 143.2° |
| CA | N | CD2 | HD21 | 144.8° | 94.6° |
| N | CA | CB | HB1 | 139.8° | 140.3° |
| N | CA | CB | HB2 | 99.0° | 96.5° |
| N | CAX | OAH | CBE | 177.4° | 180.0° |
| N | CAX | CBE | CBG | 95.6° | 91.3° |
| N | CAX | CBE | NAT | 138.5° | 148.7° |
| N | CAX | CBE | HCBE | 23.2° | 28.7° |
| CAX | N | CD2 | HD22 | 89.9° | 37.1° |
| CAX | N | CD2 | HD21 | 31.7° | 85.1° |
| CAX | N | CA | HA | 57.7° | 59.5° |
| CAE | CBG | CBE | CAX | 53.6° | 57.2° |
| CAE | CBG | CBE | CAD | 119.9° | 120.0° |
| CAE | CBG | CBE | CAC | 121.1° | 120.0° |
| CAE | CBG | CBE | NAT | 176.5° | 177.2° |
| CAE | CBG | CAD | CAC | 115.6° | 120.0° |
| CAE | CBG | CBE | HCBE | 65.3° | 62.8° |
| CAE | CBG | CAD | HAD2 | 180.0° | 60.0° |
| CAE | CBG | CAD | HAD1 | 60.0° | 60.0° |
| CAE | CBG | CAD | HAD3 | 60.0° | 180.0° |
| CBG | CAE | HAE3 | HAE2 | 120.0° | 120.0° |
| CBG | CAE | HAE3 | HAE1 | 120.0° | 120.0° |
| CBG | CAE | HAE2 | HAE1 | 120.0° | 120.0° |
| CAE | CBG | CAC | HAC3 | 180.0° | 180.0° |
| CAE | CBG | CAC | HAC2 | 60.0° | 60.0° |
| CAE | CBG | CAC | HAC1 | 60.0° | 60.0° |
| OAH | CAX | CBE | CBG | 87.1° | 88.7° |
| OAH | CAX | CBE | NAT | 38.9° | 31.3° |
| OAH | CAX | CBE | HCBE | 154.2° | 151.3° |
| CAX | CBE | CBG | NAT | 122.9° | 120.0° |
| CAX | CBE | CBG | HCBE | 118.8° | 120.0° |
| CAX | CBE | NAT | HCBE | 114.5° | 120.1° |
| CAX | CBE | CBG | CAD | 173.5° | 62.8° |
| CAX | CBE | CBG | CAC | 67.5° | 177.2° |
| CAX | CBE | NAT | CAV | 115.5° | 155.0° |
| CAX | CBE | NAT | HNAT | 64.5° | 25.0° |
| CBG | CBE | NAT | HCBE | 117.5° | 119.9° |
| CBE | CBG | CAD | CAC | 122.0° | 120.0° |
| CBG | CBE | NAT | CAV | 116.5° | 85.0° |
| CBG | CBE | NAT | HNAT | 63.5° | 95.0° |
| CBE | CBG | CAD | HAD2 | 57.5° | 60.0° |
| CBE | CBG | CAD | HAD1 | 177.5° | 180.0° |
| CBE | CBG | CAD | HAD3 | 62.5° | 60.0° |
| CBE | CBG | CAE | HAE3 | 180.0° | 63.5° |
| CBE | CBG | CAE | HAE2 | 60.0° | 176.5° |
| CBE | CBG | CAE | HAE1 | 60.0° | 56.5° |
| CBE | CBG | CAC | HAC3 | 56.3° | 60.0° |
| CBE | CBG | CAC | HAC2 | 63.7° | 180.0° |
| CBE | CBG | CAC | HAC1 | 176.3° | 60.0° |
| NAT | CBE | CBG | CAD | 63.7° | 57.2° |
| NAT | CBE | CBG | CAC | 55.3° | 62.8° |
| CBE | NAT | CAV | HNAT | 180.0° | 179.9° |
| CBE | NAT | CAV | OAF | 12.2° | 0.1° |
| CBE | NAT | CAV | CAA | 163.7° | 180.0° |
| CAD | CBG | CBE | HCBE | 54.6° | 177.1° |
| CBG | CAD | HAD2 | HAD1 | 120.0° | 120.0° |
| CBG | CAD | HAD2 | HAD3 | 120.0° | 120.0° |
| CBG | CAD | HAD1 | HAD3 | 120.0° | 120.0° |
| CAD | CBG | CAE | HAE3 | 59.0° | 176.5° |
| CAD | CBG | CAE | HAE2 | 179.0° | 56.5° |
| CAD | CBG | CAE | HAE1 | 61.1° | 63.5° |
| CAD | CBG | CAC | HAC3 | 64.2° | 60.0° |
| CAD | CBG | CAC | HAC2 | 175.7° | 60.0° |
| CAD | CBG | CAC | HAC1 | 55.8° | 180.0° |
| CAC | CBG | CBE | HCBE | 173.6° | 57.1° |
| CAC | CBG | CAD | HAD2 | 64.5° | 180.0° |
| CAC | CBG | CAD | HAD1 | 55.6° | 60.0° |
| CAC | CBG | CAD | HAD3 | 175.5° | 60.0° |
| CAC | CBG | CAE | HAE3 | 56.3° | 56.5° |
| CAC | CBG | CAE | HAE2 | 63.7° | 63.5° |
| CAC | CBG | CAE | HAE1 | 176.4° | 176.5° |
| CBG | CAC | HAC3 | HAC2 | 120.0° | 120.0° |
| CBG | CAC | HAC3 | HAC1 | 120.0° | 120.0° |
| CBG | CAC | HAC2 | HAC1 | 120.0° | 120.0° |
| NAT | CAV | OAF | CAA | 175.7° | 179.9° |
| NAT | CAV | CAA | C1 | 109.2° | 180.0° |
| NAT | CAV | CAA | HAA1 | 130.0° | 60.0° |
| NAT | CAV | CAA | HAA2 | 11.5° | 60.1° |
| CAV | NAT | CBE | HCBE | 1.0° | 34.9° |
| OAF | CAV | CAA | C1 | 74.7° | 0.0° |
| OAF | CAV | CAA | HAA1 | 46.0° | 119.9° |
| OAF | CAV | CAA | HAA2 | 164.5° | 120.0° |
| OAF | CAV | NAT | HNAT | 167.8° | 180.0° |
| CAV | CAA | C1 | HAA1 | 120.7° | 120.0° |
| CAV | CAA | C1 | HAA2 | 120.7° | 119.9° |
| CAV | CAA | C1 | C2 | 172.4° | 180.0° |
| CAV | CAA | C1 | H1 | 52.2° | 60.0° |
| CAV | CAA | C1 | H2 | 67.3° | 60.0° |
| CAV | CAA | HAA1 | HAA2 | 117.8° | 120.0° |
| CAA | CAV | NAT | HNAT | 16.3° | 0.0° |
| CAA | C1 | C2 | H1 | 120.3° | 120.0° |
| CAA | C1 | C2 | H2 | 120.3° | 120.0° |
| CAA | C1 | C2 | C3 | 175.2° | 180.0° |
| CAA | C1 | C2 | H3 | 54.4° | 60.0° |
| CAA | C1 | C2 | H4 | 64.0° | 60.0° |
| CAA | C1 | H1 | H2 | 119.1° | 120.0° |
| C1 | CAA | HAA1 | HAA2 | 117.8° | 120.0° |
| C1 | C2 | C3 | H3 | 120.8° | 120.0° |
| C1 | C2 | C3 | H4 | 120.8° | 120.0° |
| C1 | C2 | C3 | C4 | 174.3° | 180.0° |
| C1 | C2 | C3 | H5 | 53.8° | 60.0° |
| C1 | C2 | C3 | H6 | 65.3° | 60.0° |
| C1 | C2 | H3 | H4 | 117.5° | 120.0° |
| C2 | C1 | H1 | H2 | 119.1° | 120.1° |
| C2 | C1 | CAA | HAA1 | 66.9° | 60.0° |
| C2 | C1 | CAA | HAA2 | 51.7° | 60.0° |
| C2 | C3 | C4 | H5 | 120.5° | 120.0° |
| C2 | C3 | C4 | H6 | 120.5° | 119.9° |
| C2 | C3 | C4 | C5 | 83.7° | 180.0° |
| C2 | C3 | C4 | H7 | 155.8° | 60.1° |
| C2 | C3 | C4 | H8 | 36.7° | 60.0° |
| C2 | C3 | H5 | H6 | 118.6° | 120.0° |
| C3 | C2 | H3 | H4 | 117.5° | 119.9° |
| C3 | C2 | C1 | H1 | 64.6° | 60.0° |
| C3 | C2 | C1 | H2 | 54.9° | 60.0° |
| C3 | C4 | C5 | H7 | 120.4° | 119.9° |
| C3 | C4 | C5 | H8 | 120.4° | 120.0° |
| C3 | C4 | C5 | C65 | 162.8° | 180.0° |
| C3 | C4 | H7 | H8 | 118.7° | 120.0° |
| C4 | C3 | H5 | H6 | 118.5° | 120.0° |
| C4 | C3 | C2 | H3 | 64.9° | 59.9° |
| C4 | C3 | C2 | H4 | 53.5° | 60.0° |
| C3 | C4 | C5 | H10 | 42.0° | 60.0° |
| C3 | C4 | C5 | H9 | 76.4° | 60.0° |
| C4 | C5 | C65 | H10 | 120.8° | 120.0° |
| C4 | C5 | C65 | H9 | 120.8° | 120.0° |
| C4 | C5 | C65 | C64 | 165.0° | 180.0° |
| C5 | C4 | H7 | H8 | 118.7° | 120.0° |
| C5 | C4 | C3 | H5 | 36.7° | 60.0° |
| C5 | C4 | C3 | H6 | 155.8° | 60.0° |
| C4 | C5 | H10 | H9 | 117.6° | 120.0° |
| C4 | C5 | C65 | H17 | 44.8° | 60.0° |
| C4 | C5 | C65 | H16 | 74.8° | 60.0° |
| C5 | C65 | C64 | H17 | 120.2° | 120.0° |
| C5 | C65 | C64 | H16 | 120.2° | 120.0° |
| C5 | C65 | C64 | C63 | 166.9° | 180.0° |
| C65 | C5 | C4 | H7 | 76.8° | 60.0° |
| C65 | C5 | C4 | H8 | 42.4° | 60.0° |
| C65 | C5 | H10 | H9 | 117.6° | 120.0° |
| C5 | C65 | C64 | H15 | 46.0° | 60.0° |
| C5 | C65 | C64 | H14 | 72.1° | 60.0° |
| C5 | C65 | H17 | H16 | 119.3° | 120.0° |
| C65 | C64 | C63 | C62 | 94.1° | 180.0° |
| C65 | C64 | C63 | H15 | 121.0° | 120.0° |
| C65 | C64 | C63 | H14 | 121.0° | 120.0° |
| C64 | C65 | C5 | H10 | 74.2° | 60.0° |
| C64 | C65 | C5 | H9 | 44.2° | 60.0° |
| C65 | C64 | C63 | H12 | 26.5° | 60.0° |
| C65 | C64 | C63 | H13 | 145.2° | 60.0° |
| C65 | C64 | H15 | H14 | 117.0° | 120.0° |
| C64 | C65 | H17 | H16 | 119.4° | 119.9° |
| O32 | C31 | C33 | O34 | 47.0° | 63.2° |
| O32 | C31 | C33 | C30 | 130.4° | 120.0° |
| O32 | C31 | C33 | HC31 | 116.7° | 120.2° |
| O32 | C31 | C30 | HC31 | 116.6° | 120.1° |
| O32 | C31 | C33 | C35 | 172.8° | 176.9° |
| O32 | C31 | C30 | O29 | 72.9° | 57.5° |
| O32 | C31 | C30 | O45 | 167.4° | 177.6° |
| O32 | C31 | C30 | HC30 | 47.8° | 62.4° |
| O32 | C31 | C33 | HC33 | 71.6° | 57.0° |
| C61 | C62 | C63 | H18 | 121.0° | 120.0° |
| C61 | C62 | C63 | H11 | 121.0° | 120.0° |
| C61 | C62 | C63 | C64 | 170.9° | 180.0° |
| C62 | C61 | C60 | H94 | 120.8° | 120.0° |
| C62 | C61 | C60 | H95 | 120.8° | 120.0° |
| C62 | C61 | C60 | N1 | 107.4° | 180.0° |
| C62 | C61 | C60 | O1 | 75.5° | 0.0° |
| C62 | C61 | H94 | H95 | 117.6° | 120.1° |
| C61 | C62 | H18 | H11 | 116.8° | 120.0° |
| C61 | C62 | C63 | H12 | 68.5° | 60.0° |
| C61 | C62 | C63 | H13 | 50.2° | 60.0° |
| C62 | C63 | C64 | H12 | 120.7° | 120.0° |
| C62 | C63 | C64 | H13 | 120.6° | 119.9° |
| C63 | C62 | C61 | C60 | 61.9° | 180.0° |
| C63 | C62 | C61 | H94 | 58.9° | 60.0° |
| C63 | C62 | C61 | H95 | 177.4° | 60.0° |
| C63 | C62 | H18 | H11 | 116.8° | 120.0° |
| C62 | C63 | H12 | H13 | 118.0° | 119.9° |
| C62 | C63 | C64 | H15 | 26.8° | 60.0° |
| C62 | C63 | C64 | H14 | 144.9° | 60.0° |
| O27 | C26 | C24 | C28 | 125.0° | 127.7° |
| O27 | C26 | C24 | HC26 | 115.7° | 114.0° |
| O27 | C26 | C28 | HC26 | 117.2° | 114.0° |
| O27 | C26 | C24 | C25 | 62.8° | 9.3° |
| O27 | C26 | C24 | C17 | 165.1° | 124.2° |
| O27 | C26 | C28 | O29 | 52.7° | 156.3° |
| O27 | C26 | C28 | C09 | 174.2° | 31.3° |
| O27 | C26 | C24 | HC24 | 51.6° | 119.8° |
| O27 | C26 | C28 | HC28 | 65.6° | 83.6° |
| C64 | C63 | C62 | H18 | 49.8° | 60.0° |
| C64 | C63 | C62 | H11 | 68.1° | 60.0° |
| C64 | C63 | H12 | H13 | 118.0° | 120.0° |
| C63 | C64 | H15 | H14 | 117.0° | 120.0° |
| C63 | C64 | C65 | H17 | 72.9° | 60.0° |
| C63 | C64 | C65 | H16 | 46.8° | 60.0° |
| C61 | C60 | N1 | O1 | 177.1° | 180.0° |
| C61 | C60 | N1 | C03 | 174.1° | 180.0° |
| C61 | C60 | N1 | HN1 | 5.9° | 0.0° |
| C60 | C61 | H94 | H95 | 117.6° | 120.0° |
| C60 | C61 | C62 | H18 | 59.2° | 60.0° |
| C60 | C61 | C62 | H11 | 177.1° | 60.0° |
| O34 | C33 | C31 | C35 | 125.8° | 119.9° |
| O34 | C33 | C31 | HC33 | 118.6° | 120.2° |
| O34 | C33 | C31 | C30 | 177.5° | 176.8° |
| O34 | C33 | C35 | HC33 | 118.3° | 120.3° |
| O34 | C33 | C35 | O36 | 59.8° | 63.3° |
| O34 | C33 | C35 | C37 | 175.0° | 176.8° |
| O34 | C33 | C31 | HC31 | 69.7° | 56.9° |
| O34 | C33 | C35 | HC35 | 57.8° | 56.9° |
| C24 | C26 | C28 | HC26 | 119.3° | 118.4° |
| C26 | C24 | C25 | C17 | 130.6° | 135.9° |
| C26 | C24 | C25 | HC24 | 114.3° | 111.4° |
| C26 | C24 | C17 | HC24 | 113.6° | 115.7° |
| C26 | C24 | C17 | C18 | 135.7° | 172.9° |
| C24 | C26 | C28 | O29 | 176.2° | 28.7° |
| C26 | C24 | C17 | C16 | 104.1° | 51.1° |
| C24 | C26 | C28 | C09 | 62.3° | 96.3° |
| C26 | C24 | C25 | H251 | 180.0° | 84.7° |
| C26 | C24 | C25 | H253 | 60.0° | 155.3° |
| C26 | C24 | C25 | H252 | 60.0° | 35.3° |
| C24 | C26 | C28 | HC28 | 57.9° | 148.8° |
| C26 | C24 | C17 | HC17 | 16.5° | 76.4° |
| C24 | C26 | O27 | HO27 | 180.0° | 179.9° |
| C28 | C26 | C24 | C25 | 62.3° | 136.9° |
| C28 | C26 | C24 | C17 | 69.8° | 3.4° |
| C26 | C28 | O29 | C30 | 104.4° | 115.2° |
| C26 | C28 | O29 | C09 | 124.9° | 118.3° |
| C26 | C28 | O29 | HC28 | 117.3° | 121.3° |
| C26 | C28 | C09 | HC28 | 120.1° | 114.5° |
| C26 | C28 | C09 | C08 | 74.4° | 107.2° |
| C26 | C28 | C09 | C10 | 103.2° | 73.0° |
| C28 | C26 | C24 | HC24 | 176.6° | 112.5° |
| C28 | C26 | O27 | HO27 | 50.9° | 50.7° |
| C33 | C31 | C30 | HC31 | 112.9° | 119.9° |
| C31 | C33 | C35 | HC33 | 115.6° | 119.8° |
| C33 | C31 | C30 | O29 | 57.6° | 62.4° |
| C33 | C31 | C30 | O45 | 62.0° | 57.6° |
| C31 | C33 | C35 | O36 | 174.1° | 176.9° |
| C31 | C33 | C35 | C37 | 48.9° | 57.0° |
| C33 | C31 | C30 | HC30 | 178.3° | 177.6° |
| C31 | C33 | C35 | HC35 | 68.3° | 63.0° |
| C33 | C31 | O32 | HO32 | 180.0° | 180.0° |
| C31 | C33 | O34 | HO34 | 180.0° | 60.0° |
| C30 | C31 | C33 | C35 | 56.7° | 56.9° |
| C31 | C30 | O29 | O45 | 119.1° | 120.0° |
| C31 | C30 | O29 | HC30 | 119.6° | 120.0° |
| C31 | C30 | O29 | C28 | 166.7° | 116.1° |
| C31 | C30 | O45 | HC30 | 118.5° | 120.0° |
| C31 | C30 | O45 | C37 | 61.6° | 61.1° |
| C30 | C31 | C33 | HC33 | 58.8° | 62.9° |
| C30 | C31 | O32 | HO32 | 51.7° | 60.3° |
| C25 | C24 | C17 | HC24 | 115.1° | 111.6° |
| C25 | C24 | C17 | C18 | 93.1° | 40.1° |
| C25 | C24 | C17 | C16 | 27.2° | 81.7° |
| C25 | C24 | C26 | HC26 | 178.5° | 104.7° |
| C24 | C25 | H251 | H253 | 120.0° | 120.0° |
| C24 | C25 | H251 | H252 | 120.0° | 120.0° |
| C24 | C25 | H253 | H252 | 120.0° | 120.0° |
| C25 | C24 | C17 | HC17 | 147.7° | 150.8° |
| C24 | C17 | C18 | C16 | 126.7° | 139.2° |
| C24 | C17 | C18 | HC17 | 119.0° | 112.8° |
| C24 | C17 | C18 | C19 | 93.8° | 173.0° |
| C24 | C17 | C16 | HC17 | 120.4° | 127.6° |
| C24 | C17 | C16 | C20 | 111.0° | 175.7° |
| C24 | C17 | C16 | C15 | 72.5° | 8.3° |
| C17 | C24 | C26 | HC26 | 49.4° | 121.8° |
| C17 | C24 | C25 | H251 | 49.4° | 139.4° |
| C17 | C24 | C25 | H253 | 70.6° | 19.4° |
| C17 | C24 | C25 | H252 | 169.4° | 100.6° |
| C24 | C17 | C18 | H181 | 25.4° | 55.3° |
| C24 | C17 | C18 | H182 | 147.0° | 70.5° |
| C17 | C18 | C19 | H181 | 119.2° | 117.1° |
| C17 | C18 | C19 | H182 | 119.2° | 117.1° |
| C18 | C17 | C16 | HC17 | 114.3° | 105.5° |
| C17 | C18 | C19 | C20 | 38.9° | 30.6° |
| C18 | C17 | C16 | C20 | 14.3° | 48.8° |
| C18 | C17 | C16 | C15 | 162.2° | 135.2° |
| C17 | C18 | C19 | H191 | 80.1° | 88.4° |
| C17 | C18 | C19 | H192 | 158.0° | 149.7° |
| C18 | C17 | C24 | HC24 | 22.0° | 71.4° |
| C17 | C18 | H181 | H182 | 122.2° | 124.4° |
| C19 | C18 | C17 | C16 | 32.9° | 47.8° |
| C18 | C19 | C20 | H191 | 119.0° | 118.8° |
| C18 | C19 | C20 | H192 | 119.0° | 119.1° |
| C18 | C19 | C20 | C16 | 29.6° | 1.4° |
| C18 | C19 | C20 | C21 | 154.5° | 117.0° |
| C18 | C19 | H191 | H192 | 122.8° | 121.5° |
| C18 | C19 | C20 | HC20 | 86.2° | 118.9° |
| C19 | C18 | H181 | H182 | 122.2° | 124.0° |
| C19 | C18 | C17 | HC17 | 147.2° | 60.1° |
| C01 | C02 | C03 | N1 | 55.4° | 65.0° |
| C01 | C02 | C03 | C08 | 127.7° | 120.0° |
| C01 | C02 | C03 | HC02 | 116.2° | 120.0° |
| C01 | C02 | C08 | HC02 | 116.0° | 120.0° |
| C01 | C02 | C08 | C09 | 117.9° | 126.0° |
| C01 | C02 | C08 | C13 | 64.6° | 50.1° |
| C02 | C01 | H012 | H011 | 120.0° | 120.0° |
| C02 | C01 | H012 | H013 | 120.0° | 120.0° |
| C02 | C01 | H011 | H013 | 120.0° | 120.0° |
| C01 | C02 | C03 | H032 | 65.4° | 55.0° |
| C01 | C02 | C03 | H031 | 176.2° | 175.0° |
| C60 | N1 | C03 | HN1 | 180.0° | 179.9° |
| C60 | N1 | C03 | C02 | 140.8° | 180.0° |
| C60 | N1 | C03 | H032 | 20.1° | 60.1° |
| C60 | N1 | C03 | H031 | 98.4° | 60.0° |
| N1 | C60 | C61 | H94 | 131.9° | 60.0° |
| N1 | C60 | C61 | H95 | 13.4° | 60.0° |
| C03 | N1 | C60 | O1 | 3.0° | 0.1° |
| N1 | C03 | C02 | H032 | 120.8° | 120.0° |
| N1 | C03 | C02 | H031 | 120.8° | 120.0° |
| N1 | C03 | C02 | C08 | 176.9° | 175.0° |
| N1 | C03 | C02 | HC02 | 60.8° | 55.0° |
| N1 | C03 | H032 | H031 | 117.6° | 120.0° |
| C33 | C35 | O36 | C37 | 123.1° | 119.7° |
| C33 | C35 | O36 | HC35 | 116.6° | 120.1° |
| C33 | C35 | C37 | HC35 | 117.3° | 119.9° |
| C33 | C35 | C37 | O45 | 47.3° | 57.6° |
| C33 | C35 | C37 | C38 | 170.4° | 177.6° |
| C35 | C33 | C31 | HC31 | 56.1° | 62.9° |
| C33 | C35 | C37 | HC37 | 72.3° | 62.4° |
| C35 | C33 | O34 | HO34 | 55.2° | 179.5° |
| C33 | C35 | O36 | HO36 | 180.0° | 59.9° |
| O1 | C60 | N1 | HN1 | 177.0° | 180.0° |
| O1 | C60 | C61 | H94 | 45.3° | 120.0° |
| O1 | C60 | C61 | H95 | 163.7° | 120.0° |
| O29 | C30 | O45 | HC30 | 121.4° | 120.0° |
| C30 | O29 | C28 | C09 | 130.7° | 126.5° |
| O29 | C30 | O45 | C37 | 58.5° | 58.9° |
| O29 | C30 | C31 | HC31 | 170.5° | 177.7° |
| C30 | O29 | C28 | HC28 | 12.9° | 6.1° |
| C28 | O29 | C30 | O45 | 74.2° | 123.9° |
| O29 | C28 | C09 | HC28 | 118.5° | 118.7° |
| O29 | C28 | C09 | C08 | 47.0° | 126.0° |
| O29 | C28 | C09 | C10 | 135.4° | 53.8° |
| O29 | C28 | C26 | HC26 | 64.6° | 89.7° |
| C28 | O29 | C30 | HC30 | 47.1° | 3.9° |
| C30 | O45 | C37 | C35 | 55.5° | 61.2° |
| C30 | O45 | C37 | C38 | 179.6° | 178.9° |
| O45 | C30 | C31 | HC31 | 50.8° | 62.3° |
| C30 | O45 | C37 | HC37 | 63.4° | 58.8° |
| C17 | C16 | C20 | C19 | 9.4° | 30.3° |
| C17 | C16 | C20 | C15 | 176.7° | 176.7° |
| C17 | C16 | C20 | C21 | 133.6° | 147.6° |
| C17 | C16 | C15 | C10 | 2.1° | 8.9° |
| C16 | C17 | C24 | HC24 | 142.3° | 166.8° |
| C17 | C16 | C20 | HC20 | 106.5° | 88.5° |
| C16 | C17 | C18 | H181 | 152.1° | 165.5° |
| C16 | C17 | C18 | H182 | 86.3° | 68.8° |
| C17 | C16 | C15 | HC15 | 177.9° | 169.3° |
| C03 | C02 | C08 | HC02 | 115.9° | 120.0° |
| C03 | C02 | C08 | C09 | 114.1° | 114.0° |
| C03 | C02 | C08 | C13 | 63.5° | 69.9° |
| C02 | C03 | N1 | HN1 | 39.1° | 0.0° |
| C03 | C02 | C01 | H012 | 180.0° | 61.9° |
| C03 | C02 | C01 | H011 | 60.0° | 178.1° |
| C03 | C02 | C01 | H013 | 60.0° | 58.1° |
| C02 | C03 | H032 | H031 | 117.7° | 120.0° |
| C02 | C08 | C09 | C28 | 0.7° | 5.5° |
| C02 | C08 | C09 | C13 | 177.8° | 176.6° |
| C02 | C08 | C09 | C10 | 178.5° | 174.6° |
| C02 | C08 | C13 | C11 | 159.9° | 160.8° |
| C02 | C08 | C13 | H131 | 81.2° | 80.3° |
| C02 | C08 | C13 | H132 | 41.1° | 42.8° |
| C08 | C02 | C01 | H012 | 52.3° | 58.1° |
| C08 | C02 | C01 | H011 | 172.3° | 61.9° |
| C08 | C02 | C01 | H013 | 67.7° | 178.1° |
| C08 | C02 | C03 | H032 | 62.3° | 65.0° |
| C08 | C02 | C03 | H031 | 56.1° | 55.0° |
| C19 | C20 | C16 | C21 | 124.2° | 117.4° |
| C19 | C20 | C16 | HC20 | 115.9° | 118.8° |
| C19 | C20 | C16 | C15 | 174.0° | 153.0° |
| C19 | C20 | C21 | HC20 | 119.5° | 124.2° |
| C19 | C20 | C21 | O22 | 70.1° | 66.4° |
| C20 | C19 | H191 | H192 | 122.8° | 121.9° |
| C19 | C20 | C21 | H211 | 169.7° | 173.5° |
| C19 | C20 | C21 | H212 | 50.1° | 53.5° |
| C20 | C19 | C18 | H181 | 158.2° | 147.7° |
| C20 | C19 | C18 | H182 | 80.3° | 86.6° |
| C28 | C09 | C08 | C10 | 177.8° | 179.9° |
| C28 | C09 | C08 | C13 | 178.4° | 171.0° |
| C28 | C09 | C10 | C15 | 80.8° | 35.9° |
| C28 | C09 | C10 | C14 | 43.1° | 92.3° |
| C28 | C09 | C10 | C11 | 158.7° | 149.8° |
| C09 | C28 | C26 | HC26 | 57.0° | 145.3° |
| O36 | C35 | C37 | HC35 | 121.2° | 120.2° |
| O36 | C35 | C37 | O45 | 168.8° | 177.5° |
| O36 | C35 | C37 | C38 | 68.1° | 62.5° |
| O36 | C35 | C33 | HC33 | 58.4° | 57.0° |
| O36 | C35 | C37 | HC37 | 49.3° | 57.5° |
| C35 | C37 | O45 | C38 | 124.1° | 120.0° |
| C35 | C37 | O45 | HC37 | 118.9° | 120.0° |
| C35 | C37 | C38 | HC37 | 117.2° | 120.0° |
| C35 | C37 | C38 | O39 | 73.2° | 175.1° |
| C37 | C35 | C33 | HC33 | 66.7° | 62.9° |
| C35 | C37 | C38 | H381 | 166.6° | 55.2° |
| C35 | C37 | C38 | H382 | 47.0° | 64.8° |
| C37 | C35 | O36 | HO36 | 56.9° | 179.6° |
| O45 | C37 | C38 | HC37 | 117.6° | 120.0° |
| O45 | C37 | C38 | O39 | 52.0° | 64.9° |
| C37 | O45 | C30 | HC30 | 179.9° | 178.9° |
| O45 | C37 | C35 | HC35 | 69.9° | 62.3° |
| O45 | C37 | C38 | H381 | 68.1° | 175.1° |
| O45 | C37 | C38 | H382 | 172.2° | 55.1° |
| C09 | C08 | C13 | C11 | 18.1° | 15.9° |
| C08 | C09 | C10 | C15 | 97.1° | 144.0° |
| C08 | C09 | C10 | C14 | 139.0° | 87.8° |
| C08 | C09 | C10 | C11 | 23.3° | 30.0° |
| C08 | C09 | C28 | HC28 | 165.6° | 7.3° |
| C09 | C08 | C13 | H131 | 100.7° | 103.1° |
| C09 | C08 | C13 | H132 | 136.9° | 133.9° |
| C09 | C08 | C02 | HC02 | 1.8° | 6.0° |
| C13 | C08 | C09 | C10 | 3.8° | 8.8° |
| C08 | C13 | C11 | H131 | 118.8° | 118.9° |
| C08 | C13 | C11 | H132 | 118.8° | 118.0° |
| C08 | C13 | C11 | C10 | 32.2° | 31.7° |
| C08 | C13 | C11 | O12 | 160.3° | 84.5° |
| C08 | C13 | C11 | HC11 | 81.1° | 148.1° |
| C08 | C13 | H131 | H132 | 123.4° | 122.2° |
| C13 | C08 | C02 | HC02 | 179.4° | 170.1° |
| C09 | C10 | C15 | C16 | 4.5° | 65.3° |
| C09 | C10 | C11 | C13 | 33.6° | 36.5° |
| C09 | C10 | C15 | C14 | 126.8° | 128.8° |
| C09 | C10 | C15 | C11 | 114.0° | 111.6° |
| C09 | C10 | C14 | C11 | 109.9° | 115.4° |
| C09 | C10 | C11 | O12 | 158.4° | 79.2° |
| C10 | C09 | C28 | HC28 | 16.9° | 172.5° |
| C09 | C10 | C11 | HC11 | 79.9° | 153.8° |
| C09 | C10 | C14 | H143 | 180.0° | 37.6° |
| C09 | C10 | C14 | H142 | 60.0° | 82.3° |
| C09 | C10 | C14 | H141 | 60.0° | 157.6° |
| C09 | C10 | C15 | HC15 | 175.5° | 112.8° |
| C16 | C20 | C21 | HC20 | 120.0° | 123.0° |
| C16 | C20 | C21 | O22 | 169.4° | 179.3° |
| C20 | C16 | C15 | C10 | 178.0° | 175.5° |
| C16 | C20 | C19 | H191 | 89.4° | 117.4° |
| C16 | C20 | C19 | H192 | 148.7° | 120.4° |
| C16 | C20 | C21 | H211 | 49.3° | 60.7° |
| C16 | C20 | C21 | H212 | 70.4° | 59.3° |
| C20 | C16 | C15 | HC15 | 2.0° | 6.3° |
| C20 | C16 | C17 | HC17 | 128.6° | 56.7° |
| C15 | C16 | C20 | C21 | 49.7° | 35.6° |
| C16 | C15 | C10 | HC15 | 180.0° | 178.2° |
| C16 | C15 | C10 | C14 | 122.3° | 63.5° |
| C16 | C15 | C10 | C11 | 118.5° | 176.9° |
| C15 | C16 | C20 | HC20 | 70.2° | 88.3° |
| C15 | C16 | C17 | HC17 | 47.9° | 119.3° |
| C20 | C21 | O22 | H211 | 120.2° | 120.1° |
| C20 | C21 | O22 | H212 | 120.2° | 119.9° |
| C20 | C21 | O22 | C23 | 175.0° | 180.0° |
| C21 | C20 | C19 | H191 | 35.4° | 124.3° |
| C21 | C20 | C19 | H192 | 86.5° | 2.1° |
| C20 | C21 | H211 | H212 | 119.6° | 120.0° |
| C37 | C38 | O39 | H381 | 120.2° | 120.0° |
| C37 | C38 | O39 | H382 | 120.2° | 120.1° |
| C37 | C38 | O39 | C40 | 158.2° | 174.8° |
| C38 | C37 | C35 | HC35 | 53.1° | 57.7° |
| C37 | C38 | H381 | H382 | 119.4° | 120.0° |
| C21 | O22 | C23 | H231 | 180.0° | 180.0° |
| C21 | O22 | C23 | H233 | 60.0° | 60.0° |
| C21 | O22 | C23 | H232 | 60.0° | 60.1° |
| O22 | C21 | H211 | H212 | 119.6° | 119.9° |
| O22 | C21 | C20 | HC20 | 49.4° | 57.8° |
| C13 | C11 | C10 | C15 | 90.5° | 151.2° |
| C13 | C11 | C10 | C14 | 151.7° | 85.8° |
| C13 | C11 | C10 | O12 | 124.7° | 115.8° |
| C13 | C11 | C10 | HC11 | 113.5° | 117.3° |
| C13 | C11 | O12 | HC11 | 117.9° | 126.7° |
| C11 | C13 | H131 | H132 | 123.4° | 122.2° |
| C13 | C11 | O12 | HO12 | 180.0° | 67.4° |
| C15 | C10 | C14 | C11 | 120.8° | 119.1° |
| C15 | C10 | C11 | O12 | 34.2° | 35.4° |
| C15 | C10 | C11 | HC11 | 155.9° | 91.6° |
| C15 | C10 | C14 | H143 | 50.6° | 163.1° |
| C15 | C10 | C14 | H142 | 170.6° | 43.2° |
| C15 | C10 | C14 | H141 | 69.4° | 76.9° |
| C14 | C10 | C11 | O12 | 83.6° | 158.4° |
| C14 | C10 | C11 | HC11 | 38.2° | 31.5° |
| C10 | C14 | H143 | H142 | 120.0° | 120.0° |
| C10 | C14 | H143 | H141 | 120.0° | 120.0° |
| C10 | C14 | H142 | H141 | 120.0° | 120.0° |
| C14 | C10 | C15 | HC15 | 57.7° | 118.3° |
| C10 | C11 | O12 | HC11 | 120.9° | 125.7° |
| C10 | C11 | C13 | H131 | 86.6° | 87.3° |
| C10 | C11 | C13 | H132 | 151.0° | 149.7° |
| C11 | C10 | C14 | H143 | 70.1° | 77.7° |
| C11 | C10 | C14 | H142 | 49.9° | 162.3° |
| C11 | C10 | C14 | H141 | 169.9° | 42.2° |
| C11 | C10 | C15 | HC15 | 61.5° | 1.3° |
| C10 | C11 | O12 | HO12 | 58.8° | 175.0° |
| O22 | C23 | H231 | H233 | 120.0° | 120.0° |
| O22 | C23 | H231 | H232 | 120.0° | 120.0° |
| O22 | C23 | H233 | H232 | 120.0° | 120.1° |
| C23 | O22 | C21 | H211 | 64.8° | 59.9° |
| C23 | O22 | C21 | H212 | 54.9° | 60.0° |
| C38 | O39 | C40 | C44 | 84.2° | 55.2° |
| C38 | O39 | C40 | C41 | 160.7° | 64.8° |
| C38 | O39 | C40 | C42 | 42.8° | 175.2° |
| O39 | C38 | C37 | HC37 | 169.6° | 55.1° |
| O39 | C38 | H381 | H382 | 119.4° | 120.0° |
| O39 | C40 | C44 | C41 | 111.2° | 120.0° |
| O39 | C40 | C44 | C42 | 125.7° | 120.0° |
| O39 | C40 | C41 | C42 | 120.5° | 120.0° |
| O39 | C40 | C42 | C43 | 120.3° | 5.6° |
| C40 | O39 | C38 | H381 | 81.6° | 54.8° |
| C40 | O39 | C38 | H382 | 38.1° | 65.1° |
| O39 | C40 | C41 | H411 | 180.0° | 60.0° |
| O39 | C40 | C41 | H413 | 60.0° | 60.0° |
| O39 | C40 | C41 | H412 | 60.0° | 180.0° |
| O39 | C40 | C42 | HC42 | 59.7° | 174.3° |
| O39 | C40 | C44 | H442 | 180.0° | 180.0° |
| O39 | C40 | C44 | H441 | 60.0° | 60.0° |
| O39 | C40 | C44 | H443 | 60.0° | 60.0° |
| O12 | C11 | C13 | H131 | 41.5° | 156.6° |
| O12 | C11 | C13 | H132 | 80.8° | 33.5° |
| C44 | C40 | C41 | C42 | 126.6° | 120.0° |
| C44 | C40 | C42 | C43 | 1.9° | 114.4° |
| C44 | C40 | C41 | H411 | 67.1° | 180.0° |
| C44 | C40 | C41 | H413 | 52.9° | 60.0° |
| C44 | C40 | C41 | H412 | 172.8° | 60.0° |
| C44 | C40 | C42 | HC42 | 178.2° | 65.7° |
| C40 | C44 | H442 | H441 | 120.0° | 120.0° |
| C40 | C44 | H442 | H443 | 120.0° | 120.0° |
| C40 | C44 | H441 | H443 | 120.0° | 120.0° |
| C41 | C40 | C42 | C43 | 125.1° | 125.6° |
| C40 | C41 | H411 | H413 | 120.0° | 120.0° |
| C40 | C41 | H411 | H412 | 120.0° | 120.0° |
| C40 | C41 | H413 | H412 | 120.0° | 120.0° |
| C41 | C40 | C42 | HC42 | 54.9° | 54.3° |
| C41 | C40 | C44 | H442 | 68.9° | 60.0° |
| C41 | C40 | C44 | H441 | 171.2° | 60.0° |
| C41 | C40 | C44 | H443 | 51.2° | 180.0° |
| C40 | C42 | C43 | HC42 | 180.0° | 179.9° |
| C42 | C40 | C41 | H411 | 59.5° | 60.0° |
| C42 | C40 | C41 | H413 | 179.5° | 180.0° |
| C42 | C40 | C41 | H412 | 60.6° | 60.0° |
| C40 | C42 | C43 | H432 | 180.0° | 175.6° |
| C40 | C42 | C43 | H431 | 0.0° | 4.4° |
| C42 | C40 | C44 | H442 | 54.3° | 60.0° |
| C42 | C40 | C44 | H441 | 65.7° | 180.0° |
| C42 | C40 | C44 | H443 | 174.3° | 60.0° |
| C42 | C43 | H432 | H431 | 180.0° | 180.0° |
| HC26 | C26 | C24 | HC24 | 64.2° | 5.8° |
| HC26 | C26 | C28 | HC28 | 177.2° | 30.4° |
| HC26 | C26 | O27 | HO27 | 65.3° | 64.6° |
| H191 | C19 | C20 | HC20 | 154.8° | 0.1° |
| H191 | C19 | C18 | H181 | 39.1° | 28.7° |
| H191 | C19 | C18 | H182 | 160.6° | 154.5° |
| H192 | C19 | C20 | HC20 | 32.8° | 122.0° |
| H192 | C19 | C18 | H181 | 82.8° | 93.1° |
| H192 | C19 | C18 | H182 | 38.7° | 32.6° |
| H251 | C25 | H253 | H252 | 120.0° | 120.0° |
| H251 | C25 | C24 | HC24 | 65.7° | 26.7° |
| H253 | C25 | C24 | HC24 | 174.3° | 93.3° |
| H252 | C25 | C24 | HC24 | 54.4° | 146.7° |
| HC24 | C24 | C17 | HC17 | 97.1° | 39.3° |
| H231 | C23 | H233 | H232 | 120.0° | 120.0° |
| H211 | C21 | C20 | HC20 | 70.8° | 62.3° |
| H212 | C21 | C20 | HC20 | 169.5° | 177.7° |
| HC31 | C31 | C30 | HC30 | 68.8° | 57.7° |
| HC31 | C31 | C33 | HC33 | 171.7° | 177.2° |
| HC31 | C31 | O32 | HO32 | 64.0° | 59.8° |
| H181 | C18 | C17 | HC17 | 93.6° | 57.6° |
| H182 | C18 | C17 | HC17 | 28.0° | 176.7° |
| H7 | C4 | C3 | H5 | 83.7° | 60.0° |
| H7 | C4 | C3 | H6 | 35.3° | 180.0° |
| H7 | C4 | C5 | H10 | 162.4° | 179.9° |
| H7 | C4 | C5 | H9 | 44.0° | 59.9° |
| H8 | C4 | C3 | H5 | 157.2° | 180.0° |
| H8 | C4 | C3 | H6 | 83.8° | 59.9° |
| H8 | C4 | C5 | H10 | 78.4° | 60.0° |
| H8 | C4 | C5 | H9 | 163.2° | 180.0° |
| H5 | C3 | C2 | H3 | 174.6° | 180.0° |
| H5 | C3 | C2 | H4 | 67.0° | 60.1° |
| H6 | C3 | C2 | H3 | 55.5° | 60.0° |
| H6 | C3 | C2 | H4 | 174.0° | 179.9° |
| H3 | C2 | C1 | H1 | 174.7° | 180.0° |
| H3 | C2 | C1 | H2 | 65.9° | 60.0° |
| H4 | C2 | C1 | H1 | 56.2° | 60.0° |
| H4 | C2 | C1 | H2 | 175.7° | 180.0° |
| H10 | C5 | C65 | H17 | 165.5° | 180.0° |
| H10 | C5 | C65 | H16 | 46.0° | 60.0° |
| H9 | C5 | C65 | H17 | 76.0° | 60.0° |
| H9 | C5 | C65 | H16 | 164.4° | 180.0° |
| H1 | C1 | CAA | HAA1 | 172.9° | 180.0° |
| H1 | C1 | CAA | HAA2 | 68.6° | 59.9° |
| H2 | C1 | CAA | HAA1 | 53.4° | 60.0° |
| H2 | C1 | CAA | HAA2 | 172.0° | 179.9° |
| HC11 | C11 | C13 | H131 | 160.1° | 29.2° |
| HC11 | C11 | C13 | H132 | 37.8° | 93.9° |
| HC11 | C11 | O12 | HO12 | 62.1° | 59.3° |
| H143 | C14 | H142 | H141 | 120.0° | 120.0° |
| HN1 | N1 | C03 | H032 | 159.9° | 120.0° |
| HN1 | N1 | C03 | H031 | 81.6° | 120.0° |
| HNAT | NAT | CBE | HCBE | 179.0° | 145.0° |
| HAD2 | CAD | HAD1 | HAD3 | 120.0° | 120.0° |
| HAE3 | CAE | HAE2 | HAE1 | 120.0° | 120.0° |
| HAC3 | CAC | HAC2 | HAC1 | 120.0° | 119.9° |
| HD22 | CD2 | CG | HG | 36.9° | 86.1° |
| HD21 | CD2 | CG | HG | 84.7° | 36.2° |
| HG | CG | OD1 | HOD1 | 56.6° | 62.5° |
| HG | CG | CB | HB1 | 86.7° | 88.1° |
| HG | CG | CB | HB2 | 34.5° | 35.2° |
| HB1 | CB | CA | HA | 23.8° | 21.0° |
| HB2 | CB | CA | HA | 144.9° | 144.2° |
| HNAS | NAS | CAO | HAO2 | 21.4° | 120.1° |
| HNAS | NAS | CAO | HAO1 | 139.8° | 120.0° |
| HCAK | CAK | CAM | HCAM | 1.1° | 0.1° |
| HCAJ | CAJ | CAL | HCAL | 1.4° | 0.0° |
| HAB1 | CAB | HAB3 | HAB2 | 120.0° | 120.0° |
| H012 | C01 | H011 | H013 | 120.0° | 120.0° |
| H012 | C01 | C02 | HC02 | 63.8° | 178.0° |
| H011 | C01 | C02 | HC02 | 56.2° | 58.0° |
| H013 | C01 | C02 | HC02 | 176.1° | 61.9° |
| HC02 | C02 | C03 | H032 | 178.4° | 175.0° |
| HC02 | C02 | C03 | H031 | 60.0° | 65.0° |
| HC33 | C33 | C35 | HC35 | 176.1° | 177.1° |
| HC33 | C33 | O34 | HO34 | 62.2° | 60.2° |
| HC35 | C35 | C37 | HC37 | 170.5° | 177.7° |
| HC35 | C35 | O36 | HO36 | 63.4° | 60.2° |
| HC37 | C37 | C38 | H381 | 49.4° | 64.9° |
| HC37 | C37 | C38 | H382 | 70.2° | 175.1° |
| H411 | C41 | H413 | H412 | 120.0° | 120.0° |
| HC42 | C42 | C43 | H432 | 0.0° | 4.5° |
| HC42 | C42 | C43 | H431 | 180.0° | 175.5° |
| H442 | C44 | H441 | H443 | 120.0° | 120.0° |
| H94 | C61 | C62 | H18 | 179.9° | 180.0° |
| H94 | C61 | C62 | H11 | 62.1° | 60.0° |
| H95 | C61 | C62 | H18 | 61.6° | 60.0° |
| H95 | C61 | C62 | H11 | 56.3° | 180.0° |
| H18 | C62 | C63 | H12 | 170.5° | 180.0° |
| H18 | C62 | C63 | H13 | 70.8° | 60.0° |
| H11 | C62 | C63 | H12 | 52.5° | 60.1° |
| H11 | C62 | C63 | H13 | 171.2° | 180.0° |
| H12 | C63 | C64 | H15 | 147.5° | 180.0° |
| H12 | C63 | C64 | H14 | 94.4° | 60.0° |
| H13 | C63 | C64 | H15 | 93.8° | 60.0° |
| H13 | C63 | C64 | H14 | 24.3° | 179.9° |
| H15 | C64 | C65 | H17 | 166.2° | 60.1° |
| H15 | C64 | C65 | H16 | 74.2° | 180.0° |
| H14 | C64 | C65 | H17 | 48.1° | 180.0° |
| H14 | C64 | C65 | H16 | 167.8° | 60.1° |
