9DH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | N | sing | 1.47Å | 1.48Å | |
| CA | N | sing | 1.47Å | 1.51Å | |
| CA | C | sing | 1.51Å | 1.55Å | |
| N | CAQ | sing | 1.40Å | 1.35Å | |
| O | C | doub | 1.21Å | 1.23Å | |
| C | NAF | sing | 1.35Å | 1.33Å | |
| CAR | CAQ | doub | 1.39Å | 1.42Å | Aromatic |
| CAR | CAS | sing | 1.38Å | 1.39Å | Aromatic |
| CAQ | CAV | sing | 1.39Å | 1.40Å | Aromatic |
| NAF | CAG | sing | 1.40Å | 1.37Å | |
| CAS | CAT | doub | 1.38Å | 1.39Å | Aromatic |
| CAV | CAU | doub | 1.38Å | 1.38Å | Aromatic |
| CAG | CAH | doub | 1.39Å | 1.41Å | Aromatic |
| CAG | CAL | sing | 1.39Å | 1.37Å | Aromatic |
| CAH | CAI | sing | 1.38Å | 1.41Å | Aromatic |
| CAL | CAK | doub | 1.38Å | 1.39Å | Aromatic |
| CAT | CAU | sing | 1.38Å | 1.39Å | Aromatic |
| CAI | CAJ | doub | 1.38Å | 1.39Å | Aromatic |
| CAK | CAJ | sing | 1.38Å | 1.41Å | Aromatic |
| CAJ | SAM | sing | 1.76Å | 1.74Å | |
| NAP | SAM | sing | 1.66Å | 1.55Å | |
| OAO | SAM | doub | 1.42Å | 1.48Å | |
| SAM | OAN | doub | 1.42Å | 1.46Å | |
| CAH | H1 | sing | 1.08Å | 1.08Å | |
| CAI | H2 | sing | 1.08Å | 1.08Å | |
| NAP | H3 | sing | 0.97Å | 1.00Å | |
| NAP | H4 | sing | 0.97Å | 1.00Å | |
| CAK | H5 | sing | 1.08Å | 1.08Å | |
| CAL | H6 | sing | 1.08Å | 1.08Å | |
| NAF | H7 | sing | 0.97Å | 1.00Å | |
| CA | H8 | sing | 1.09Å | 1.10Å | |
| CA | H9 | sing | 1.09Å | 1.10Å | |
| CAA | H10 | sing | 1.09Å | 1.10Å | |
| CAA | H11 | sing | 1.09Å | 1.10Å | |
| CAA | H12 | sing | 1.09Å | 1.10Å | |
| CAR | H13 | sing | 1.08Å | 1.08Å | |
| CAS | H14 | sing | 1.08Å | 1.08Å | |
| CAT | H15 | sing | 1.08Å | 1.08Å | |
| CAU | H16 | sing | 1.08Å | 1.08Å | |
| CAV | H17 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | N | CA | 120.6° | 120.0° |
| CAA | N | CAQ | 116.5° | 120.0° |
| N | CAA | H10 | 109.5° | 109.5° |
| N | CAA | H11 | 109.5° | 109.5° |
| N | CAA | H12 | 109.4° | 109.5° |
| N | CA | C | 119.8° | 109.5° |
| CA | N | CAQ | 122.2° | 120.0° |
| N | CA | H8 | 106.8° | 109.5° |
| N | CA | H9 | 106.8° | 109.4° |
| CA | C | O | 118.5° | 120.0° |
| CA | C | NAF | 118.2° | 120.0° |
| C | CA | H8 | 106.8° | 109.5° |
| C | CA | H9 | 106.8° | 109.5° |
| N | CAQ | CAR | 124.8° | 120.0° |
| N | CAQ | CAV | 118.0° | 120.1° |
| O | C | NAF | 123.1° | 120.0° |
| C | NAF | CAG | 124.3° | 120.0° |
| C | NAF | H7 | 117.9° | 120.0° |
| CAQ | CAR | CAS | 120.4° | 119.9° |
| CAR | CAQ | CAV | 117.2° | 119.9° |
| CAQ | CAR | H13 | 119.8° | 120.1° |
| CAR | CAS | CAT | 120.7° | 120.1° |
| CAS | CAR | H13 | 119.8° | 120.0° |
| CAR | CAS | H14 | 119.7° | 120.0° |
| CAQ | CAV | CAU | 122.3° | 119.9° |
| CAQ | CAV | H17 | 118.9° | 120.1° |
| NAF | CAG | CAH | 128.5° | 120.1° |
| NAF | CAG | CAL | 112.0° | 120.1° |
| CAG | NAF | H7 | 117.9° | 120.0° |
| CAS | CAT | CAU | 119.1° | 120.1° |
| CAT | CAS | H14 | 119.6° | 120.0° |
| CAS | CAT | H15 | 120.4° | 119.9° |
| CAV | CAU | CAT | 120.2° | 120.1° |
| CAV | CAU | H16 | 119.9° | 119.9° |
| CAU | CAV | H17 | 118.8° | 120.0° |
| CAH | CAG | CAL | 119.5° | 119.9° |
| CAG | CAH | CAI | 119.0° | 120.0° |
| CAG | CAH | H1 | 120.5° | 120.1° |
| CAG | CAL | CAK | 121.2° | 119.9° |
| CAG | CAL | H6 | 119.4° | 120.0° |
| CAH | CAI | CAJ | 121.5° | 120.0° |
| CAI | CAH | H1 | 120.5° | 120.0° |
| CAH | CAI | H2 | 119.3° | 120.0° |
| CAL | CAK | CAJ | 120.8° | 120.1° |
| CAL | CAK | H5 | 119.6° | 120.0° |
| CAK | CAL | H6 | 119.4° | 120.1° |
| CAU | CAT | H15 | 120.4° | 120.0° |
| CAT | CAU | H16 | 119.9° | 120.0° |
| CAI | CAJ | CAK | 118.0° | 120.1° |
| CAI | CAJ | SAM | 122.7° | 119.9° |
| CAJ | CAI | H2 | 119.2° | 119.9° |
| CAK | CAJ | SAM | 119.2° | 119.9° |
| CAJ | CAK | H5 | 119.6° | 119.9° |
| CAJ | SAM | NAP | 107.6° | 107.2° |
| CAJ | SAM | OAO | 104.7° | 106.4° |
| CAJ | SAM | OAN | 107.2° | 106.4° |
| NAP | SAM | OAO | 111.8° | 106.4° |
| NAP | SAM | OAN | 109.2° | 106.4° |
| SAM | NAP | H3 | 109.5° | 120.0° |
| SAM | NAP | H4 | 109.4° | 120.0° |
| OAO | SAM | OAN | 115.8° | 123.2° |
| H3 | NAP | H4 | 109.5° | 120.0° |
| H8 | CA | H9 | 109.5° | 109.5° |
| H10 | CAA | H11 | 109.5° | 109.5° |
| H10 | CAA | H12 | 109.5° | 109.5° |
| H11 | CAA | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | N | CA | CAQ | 170.1° | 180.0° |
| CAA | N | CA | C | 93.1° | 90.0° |
| CAA | N | CAQ | CAR | 30.6° | 179.7° |
| CAA | N | CAQ | CAV | 150.7° | 0.1° |
| CAA | N | CA | H8 | 145.5° | 150.0° |
| CAA | N | CA | H9 | 28.4° | 30.0° |
| N | CAA | H10 | H11 | 120.0° | 120.0° |
| N | CAA | H10 | H12 | 120.0° | 120.0° |
| N | CAA | H11 | H12 | 120.0° | 120.0° |
| N | CA | C | H8 | 121.4° | 120.0° |
| N | CA | C | H9 | 121.5° | 120.0° |
| N | CA | C | O | 179.8° | 0.1° |
| N | CA | C | NAF | 5.0° | 180.0° |
| CA | N | CAQ | CAR | 139.9° | 0.3° |
| CA | N | CAQ | CAV | 38.8° | 180.0° |
| N | CA | H8 | H9 | 115.3° | 120.0° |
| CA | N | CAA | H10 | 180.0° | 90.0° |
| CA | N | CAA | H11 | 60.0° | 150.0° |
| CA | N | CAA | H12 | 60.0° | 30.0° |
| C | CA | N | CAQ | 96.8° | 90.0° |
| CA | C | O | NAF | 175.0° | 179.9° |
| CA | C | NAF | CAG | 174.9° | 174.7° |
| CA | C | NAF | H7 | 5.1° | 5.3° |
| C | CA | H8 | H9 | 115.3° | 120.0° |
| N | CAQ | CAR | CAV | 178.7° | 179.6° |
| N | CAQ | CAR | CAS | 178.5° | 180.0° |
| N | CAQ | CAV | CAU | 178.4° | 179.7° |
| CAQ | N | CA | H8 | 24.6° | 30.0° |
| CAQ | N | CA | H9 | 141.7° | 150.0° |
| CAQ | N | CAA | H10 | 9.4° | 90.0° |
| CAQ | N | CAA | H11 | 129.4° | 30.0° |
| CAQ | N | CAA | H12 | 110.6° | 150.0° |
| N | CAQ | CAR | H13 | 1.5° | 0.1° |
| N | CAQ | CAV | H17 | 1.6° | 0.1° |
| O | C | NAF | CAG | 10.1° | 5.3° |
| O | C | NAF | H7 | 169.9° | 174.7° |
| O | C | CA | H8 | 58.8° | 120.0° |
| O | C | CA | H9 | 58.3° | 120.0° |
| C | NAF | CAG | H7 | 180.0° | 180.0° |
| C | NAF | CAG | CAH | 27.6° | 146.9° |
| C | NAF | CAG | CAL | 155.1° | 33.5° |
| NAF | C | CA | H8 | 116.4° | 60.0° |
| NAF | C | CA | H9 | 126.5° | 60.0° |
| CAQ | CAR | CAS | H13 | 180.0° | 179.9° |
| CAQ | CAR | CAS | CAT | 0.6° | 0.0° |
| CAR | CAQ | CAV | CAU | 0.4° | 0.6° |
| CAQ | CAR | CAS | H14 | 179.4° | 180.0° |
| CAR | CAQ | CAV | H17 | 179.6° | 179.7° |
| CAS | CAR | CAQ | CAV | 0.2° | 0.3° |
| CAR | CAS | CAT | H14 | 180.0° | 180.0° |
| CAR | CAS | CAT | CAU | 1.2° | 0.0° |
| CAR | CAS | CAT | H15 | 178.8° | 180.0° |
| CAQ | CAV | CAU | H17 | 180.0° | 179.7° |
| CAQ | CAV | CAU | CAT | 0.2° | 0.6° |
| CAV | CAQ | CAR | H13 | 179.8° | 179.8° |
| CAQ | CAV | CAU | H16 | 179.8° | 179.7° |
| NAF | CAG | CAH | CAL | 177.2° | 179.6° |
| NAF | CAG | CAH | CAI | 179.0° | 180.0° |
| NAF | CAG | CAL | CAK | 179.3° | 180.0° |
| NAF | CAG | CAH | H1 | 1.0° | 0.3° |
| NAF | CAG | CAL | H6 | 0.7° | 0.1° |
| CAS | CAT | CAU | CAV | 1.0° | 0.3° |
| CAS | CAT | CAU | H15 | 180.0° | 180.0° |
| CAT | CAS | CAR | H13 | 179.4° | 179.9° |
| CAS | CAT | CAU | H16 | 179.0° | 180.0° |
| CAV | CAU | CAT | H16 | 180.0° | 179.7° |
| CAV | CAU | CAT | H15 | 179.0° | 179.7° |
| CAG | CAH | CAI | H1 | 180.0° | 179.7° |
| CAH | CAG | CAL | CAK | 1.7° | 0.4° |
| CAG | CAH | CAI | CAJ | 1.3° | 0.3° |
| CAG | CAH | CAI | H2 | 178.7° | 179.8° |
| CAH | CAG | CAL | H6 | 178.3° | 179.7° |
| CAH | CAG | NAF | H7 | 152.4° | 33.1° |
| CAL | CAG | CAH | CAI | 1.8° | 0.5° |
| CAG | CAL | CAK | H6 | 180.0° | 179.8° |
| CAG | CAL | CAK | CAJ | 1.1° | 0.2° |
| CAL | CAG | CAH | H1 | 178.2° | 179.8° |
| CAG | CAL | CAK | H5 | 178.9° | 179.8° |
| CAL | CAG | NAF | H7 | 24.9° | 146.5° |
| CAH | CAI | CAJ | H2 | 180.0° | 179.9° |
| CAH | CAI | CAJ | CAK | 0.6° | 0.1° |
| CAH | CAI | CAJ | SAM | 178.0° | 180.0° |
| CAL | CAK | CAJ | CAI | 0.5° | 0.1° |
| CAL | CAK | CAJ | H5 | 180.0° | 180.0° |
| CAL | CAK | CAJ | SAM | 178.0° | 180.0° |
| CAU | CAT | CAS | H14 | 178.8° | 180.0° |
| CAT | CAU | CAV | H17 | 179.8° | 179.7° |
| CAI | CAJ | CAK | SAM | 177.5° | 179.9° |
| CAI | CAJ | SAM | NAP | 128.5° | 90.0° |
| CAI | CAJ | SAM | OAO | 9.4° | 23.6° |
| CAI | CAJ | SAM | OAN | 114.1° | 156.5° |
| CAJ | CAI | CAH | H1 | 178.7° | 180.0° |
| CAI | CAJ | CAK | H5 | 179.5° | 180.0° |
| CAK | CAJ | SAM | NAP | 48.9° | 89.9° |
| CAK | CAJ | SAM | OAO | 168.0° | 156.5° |
| CAK | CAJ | SAM | OAN | 68.5° | 23.6° |
| CAK | CAJ | CAI | H2 | 179.4° | 180.0° |
| CAJ | CAK | CAL | H6 | 178.9° | 179.9° |
| CAJ | SAM | NAP | OAO | 114.5° | 113.5° |
| CAJ | SAM | NAP | OAN | 116.1° | 113.5° |
| CAJ | SAM | OAO | OAN | 117.9° | 122.9° |
| SAM | CAJ | CAI | H2 | 2.0° | 0.1° |
| CAJ | SAM | NAP | H3 | 180.0° | 150.0° |
| CAJ | SAM | NAP | H4 | 60.0° | 30.0° |
| SAM | CAJ | CAK | H5 | 2.0° | 0.1° |
| NAP | SAM | OAO | OAN | 125.9° | 123.0° |
| SAM | NAP | H3 | H4 | 120.0° | 180.0° |
| OAO | SAM | NAP | H3 | 65.6° | 96.5° |
| OAO | SAM | NAP | H4 | 54.5° | 83.5° |
| OAN | SAM | NAP | H3 | 63.9° | 36.5° |
| OAN | SAM | NAP | H4 | 176.1° | 143.6° |
| H1 | CAH | CAI | H2 | 1.3° | 0.1° |
| H5 | CAK | CAL | H6 | 1.1° | 0.1° |
| H10 | CAA | H11 | H12 | 120.0° | 120.0° |
| H13 | CAR | CAS | H14 | 0.6° | 0.0° |
| H14 | CAS | CAT | H15 | 1.2° | 0.0° |
| H15 | CAT | CAU | H16 | 1.0° | 0.0° |
| H16 | CAU | CAV | H17 | 0.2° | 0.1° |
