A1LTQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.45Å | 1.47Å | |
| O1 | CZ | sing | 1.35Å | 1.36Å | |
| CZ | NH1 | doub | 1.30Å | 1.28Å | |
| CZ | NE | sing | 1.38Å | 1.35Å | |
| NE | CD | sing | 1.46Å | 1.46Å | |
| CD | CG | sing | 1.53Å | 1.53Å | |
| CG | CB | sing | 1.53Å | 1.53Å | |
| CB | CA | sing | 1.53Å | 1.53Å | |
| CA | N | sing | 1.47Å | 1.46Å | |
| CA | C | sing | 1.51Å | 1.52Å | |
| C | OXT | sing | 1.34Å | 1.31Å | |
| C | O | doub | 1.21Å | 1.21Å | |
| NE | C8 | sing | 1.47Å | 1.46Å | |
| C8 | O4 | sing | 1.43Å | 1.41Å | |
| O4 | C9 | sing | 1.43Å | 1.44Å | |
| C9 | C10 | sing | 1.53Å | 1.51Å | |
| C10 | O5 | sing | 1.43Å | 1.44Å | |
| O5 | P1 | sing | 1.61Å | 1.58Å | |
| P1 | O6 | sing | 1.61Å | 1.52Å | |
| P1 | O7 | doub | 1.48Å | 1.48Å | |
| P1 | O8 | sing | 1.61Å | 1.59Å | |
| O8 | P2 | sing | 1.61Å | 1.59Å | |
| P2 | O9 | sing | 1.61Å | 1.52Å | |
| P2 | O10 | doub | 1.48Å | 1.48Å | |
| P2 | O11 | sing | 1.61Å | 1.58Å | |
| O11 | C11 | sing | 1.43Å | 1.44Å | |
| C11 | C12 | sing | 1.53Å | 1.51Å | |
| C12 | O12 | sing | 1.44Å | 1.44Å | |
| O12 | C13 | sing | 1.44Å | 1.43Å | |
| C13 | C14 | sing | 1.55Å | 1.53Å | |
| C14 | O13 | sing | 1.43Å | 1.41Å | |
| C14 | C15 | sing | 1.55Å | 1.53Å | |
| C15 | O14 | sing | 1.43Å | 1.42Å | |
| C13 | N4 | sing | 1.47Å | 1.46Å | |
| N4 | C16 | sing | 1.36Å | 1.37Å | Aromatic |
| C16 | N5 | doub | 1.30Å | 1.31Å | Aromatic |
| N5 | C17 | sing | 1.35Å | 1.39Å | Aromatic |
| C17 | C18 | doub | 1.40Å | 1.38Å | Aromatic |
| C18 | N6 | sing | 1.33Å | 1.35Å | Aromatic |
| N6 | C19 | doub | 1.32Å | 1.33Å | Aromatic |
| C19 | N7 | sing | 1.32Å | 1.34Å | Aromatic |
| N7 | C20 | doub | 1.33Å | 1.36Å | Aromatic |
| C20 | N8 | sing | 1.38Å | 1.33Å | |
| C9 | C21 | sing | 1.54Å | 1.53Å | |
| C21 | O15 | sing | 1.43Å | 1.42Å | |
| C1 | C8 | sing | 1.55Å | 1.53Å | |
| C12 | C15 | sing | 1.54Å | 1.53Å | |
| N4 | C18 | sing | 1.37Å | 1.37Å | Aromatic |
| C1 | C21 | sing | 1.55Å | 1.53Å | |
| C17 | C20 | sing | 1.41Å | 1.41Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| NH1 | HH11 | sing | 0.97Å | 1.00Å | |
| CD | HD2 | sing | 1.09Å | 1.10Å | |
| CD | HD3 | sing | 1.09Å | 1.10Å | |
| CG | HG2 | sing | 1.09Å | 1.10Å | |
| CG | HG3 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| O6 | H17 | sing | 0.97Å | 0.95Å | |
| O9 | H18 | sing | 0.97Å | 0.95Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| O13 | H24 | sing | 0.97Å | 0.95Å | |
| C15 | H25 | sing | 1.09Å | 1.10Å | |
| O14 | H26 | sing | 0.97Å | 0.95Å | |
| C16 | H27 | sing | 1.08Å | 1.08Å | |
| C19 | H28 | sing | 1.08Å | 1.08Å | |
| N8 | H29 | sing | 0.97Å | 1.00Å | |
| N8 | H30 | sing | 0.97Å | 1.00Å | |
| C21 | H31 | sing | 1.09Å | 1.10Å | |
| O15 | H32 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O1 | CZ | 107.7° | 106.6° |
| O1 | C1 | C8 | 106.1° | 102.1° |
| O1 | C1 | C21 | 111.5° | 107.3° |
| O1 | C1 | H1 | 111.7° | 113.9° |
| O1 | CZ | NH1 | 122.6° | 124.8° |
| O1 | CZ | NE | 112.1° | 110.3° |
| NH1 | CZ | NE | 125.3° | 124.9° |
| CZ | NH1 | HH11 | 112.0° | 120.0° |
| CZ | NE | CD | 125.5° | 126.5° |
| CZ | NE | C8 | 111.6° | 107.1° |
| NE | CD | CG | 113.3° | 109.5° |
| CD | NE | C8 | 122.9° | 126.4° |
| NE | CD | HD2 | 108.5° | 109.5° |
| NE | CD | HD3 | 108.5° | 109.5° |
| CD | CG | CB | 113.9° | 109.5° |
| CG | CD | HD2 | 108.5° | 109.4° |
| CG | CD | HD3 | 108.5° | 109.4° |
| CD | CG | HG2 | 108.4° | 109.5° |
| CD | CG | HG3 | 108.4° | 109.5° |
| CG | CB | CA | 115.2° | 109.5° |
| CB | CG | HG2 | 108.4° | 109.5° |
| CB | CG | HG3 | 108.4° | 109.5° |
| CG | CB | HB2 | 108.0° | 109.5° |
| CG | CB | HB3 | 108.0° | 109.5° |
| CB | CA | N | 112.0° | 109.5° |
| CB | CA | C | 109.6° | 109.5° |
| CA | CB | HB2 | 108.0° | 109.5° |
| CA | CB | HB3 | 108.0° | 109.4° |
| CB | CA | HA | 107.4° | 109.4° |
| N | CA | C | 112.0° | 109.5° |
| N | CA | HA | 108.2° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.4° | 110.9° |
| CA | C | OXT | 112.1° | 120.0° |
| CA | C | O | 123.8° | 120.0° |
| C | CA | HA | 107.5° | 109.5° |
| OXT | C | O | 124.1° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| NE | C8 | O4 | 112.2° | 111.5° |
| NE | C8 | C1 | 102.4° | 103.4° |
| NE | C8 | H13 | 111.9° | 111.4° |
| C8 | O4 | C9 | 108.9° | 109.8° |
| O4 | C8 | C1 | 106.2° | 106.7° |
| O4 | C8 | H13 | 112.6° | 112.0° |
| O4 | C9 | C10 | 110.2° | 109.8° |
| O4 | C9 | C21 | 104.0° | 108.1° |
| O4 | C9 | H14 | 109.8° | 109.8° |
| C9 | C10 | O5 | 109.4° | 109.5° |
| C10 | C9 | C21 | 115.4° | 109.7° |
| C10 | C9 | H14 | 108.8° | 109.7° |
| C9 | C10 | H15 | 109.5° | 109.5° |
| C9 | C10 | H16 | 109.5° | 109.4° |
| C10 | O5 | P1 | 121.4° | 123.0° |
| O5 | C10 | H15 | 109.5° | 109.5° |
| O5 | C10 | H16 | 109.5° | 109.4° |
| O5 | P1 | O6 | 107.9° | 109.5° |
| O5 | P1 | O7 | 115.0° | 109.5° |
| O5 | P1 | O8 | 104.0° | 109.5° |
| O6 | P1 | O7 | 114.2° | 109.5° |
| O6 | P1 | O8 | 105.5° | 109.5° |
| P1 | O6 | H17 | 109.5° | 113.9° |
| O7 | P1 | O8 | 109.5° | 109.5° |
| P1 | O8 | P2 | 132.3° | 134.0° |
| O8 | P2 | O9 | 105.4° | 109.4° |
| O8 | P2 | O10 | 109.4° | 109.5° |
| O8 | P2 | O11 | 104.3° | 109.5° |
| O9 | P2 | O10 | 114.1° | 109.5° |
| O9 | P2 | O11 | 107.7° | 109.5° |
| P2 | O9 | H18 | 109.5° | 114.0° |
| O10 | P2 | O11 | 115.0° | 109.5° |
| P2 | O11 | C11 | 120.9° | 123.0° |
| O11 | C11 | C12 | 109.7° | 109.5° |
| O11 | C11 | H19 | 109.4° | 109.5° |
| O11 | C11 | H20 | 109.4° | 109.4° |
| C11 | C12 | O12 | 109.1° | 109.9° |
| C11 | C12 | C15 | 115.5° | 109.8° |
| C12 | C11 | H19 | 109.4° | 109.5° |
| C12 | C11 | H20 | 109.4° | 109.5° |
| C11 | C12 | H21 | 108.9° | 109.9° |
| C12 | O12 | C13 | 110.3° | 107.0° |
| O12 | C12 | C15 | 104.7° | 107.3° |
| O12 | C12 | H21 | 109.8° | 109.9° |
| O12 | C13 | C14 | 107.0° | 103.5° |
| O12 | C13 | N4 | 109.1° | 110.6° |
| O12 | C13 | H22 | 110.0° | 110.7° |
| C13 | C14 | O13 | 110.6° | 111.0° |
| C13 | C14 | C15 | 101.6° | 102.1° |
| C14 | C13 | N4 | 112.8° | 110.6° |
| C14 | C13 | H22 | 108.6° | 110.6° |
| C13 | C14 | H23 | 109.8° | 110.9° |
| O13 | C14 | C15 | 113.2° | 110.9° |
| O13 | C14 | H23 | 111.5° | 110.8° |
| C14 | O13 | H24 | 109.5° | 114.0° |
| C14 | C15 | O14 | 112.7° | 110.5° |
| C14 | C15 | C12 | 101.9° | 104.2° |
| C15 | C14 | H23 | 109.7° | 110.9° |
| C14 | C15 | H25 | 110.0° | 110.5° |
| O14 | C15 | C12 | 110.2° | 110.5° |
| O14 | C15 | H25 | 111.6° | 110.6° |
| C15 | O14 | H26 | 109.5° | 114.0° |
| C13 | N4 | C16 | 128.2° | 126.3° |
| C13 | N4 | C18 | 126.0° | 126.3° |
| N4 | C13 | H22 | 109.4° | 110.6° |
| N4 | C16 | N5 | 113.8° | 110.0° |
| C16 | N4 | C18 | 105.8° | 107.4° |
| N4 | C16 | H27 | 123.1° | 125.0° |
| C16 | N5 | C17 | 103.9° | 109.5° |
| N5 | C16 | H27 | 123.1° | 125.0° |
| N5 | C17 | C18 | 110.6° | 107.1° |
| N5 | C17 | C20 | 132.1° | 134.7° |
| C17 | C18 | N6 | 126.3° | 119.1° |
| C17 | C18 | N4 | 105.8° | 106.1° |
| C18 | C17 | C20 | 117.3° | 118.2° |
| C18 | N6 | C19 | 111.4° | 120.6° |
| N6 | C18 | N4 | 127.9° | 134.9° |
| N6 | C19 | N7 | 128.9° | 122.5° |
| N6 | C19 | H28 | 115.5° | 118.8° |
| C19 | N7 | C20 | 118.6° | 121.2° |
| N7 | C19 | H28 | 115.5° | 118.7° |
| N7 | C20 | N8 | 118.9° | 120.8° |
| N7 | C20 | C17 | 117.5° | 118.5° |
| N8 | C20 | C17 | 123.6° | 120.7° |
| C20 | N8 | H29 | 109.5° | 120.0° |
| C20 | N8 | H30 | 109.5° | 120.0° |
| C9 | C21 | O15 | 110.2° | 110.3° |
| C9 | C21 | C1 | 101.9° | 105.2° |
| C21 | C9 | H14 | 108.6° | 109.7° |
| C9 | C21 | H31 | 109.8° | 110.3° |
| O15 | C21 | C1 | 113.6° | 110.3° |
| O15 | C21 | H31 | 111.3° | 110.4° |
| C21 | O15 | H32 | 109.5° | 114.0° |
| C8 | C1 | C21 | 105.7° | 103.5° |
| C8 | C1 | H1 | 110.9° | 114.1° |
| C1 | C8 | H13 | 110.9° | 111.5° |
| C15 | C12 | H21 | 108.6° | 110.0° |
| C12 | C15 | H25 | 110.0° | 110.5° |
| C21 | C1 | H1 | 110.8° | 114.6° |
| C1 | C21 | H31 | 109.7° | 110.3° |
| HD2 | CD | HD3 | 109.5° | 109.5° |
| HG2 | CG | HG3 | 109.4° | 109.5° |
| HB2 | CB | HB3 | 109.5° | 109.5° |
| H | N | H2 | 109.5° | 111.1° |
| H15 | C10 | H16 | 109.5° | 109.6° |
| H19 | C11 | H20 | 109.5° | 109.4° |
| H29 | N8 | H30 | 109.4° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | O1 | CZ | NH1 | 179.9° | 146.5° |
| C1 | O1 | CZ | NE | 0.1° | 33.5° |
| O1 | C1 | C8 | NE | 1.0° | 17.6° |
| O1 | C1 | C8 | O4 | 118.8° | 135.3° |
| O1 | C1 | C21 | C9 | 135.8° | 120.2° |
| O1 | C1 | C21 | O15 | 17.3° | 1.3° |
| O1 | C1 | C8 | C21 | 118.4° | 111.4° |
| O1 | C1 | C8 | H1 | 121.4° | 123.4° |
| O1 | C1 | C21 | H1 | 125.0° | 127.6° |
| O1 | C1 | C8 | H13 | 118.5° | 102.2° |
| O1 | C1 | C21 | H31 | 107.9° | 120.9° |
| O1 | CZ | NH1 | NE | 179.9° | 180.0° |
| O1 | CZ | NE | CD | 180.0° | 159.2° |
| O1 | CZ | NE | C8 | 0.6° | 20.9° |
| CZ | O1 | C1 | C8 | 0.7° | 30.5° |
| CZ | O1 | C1 | C21 | 113.8° | 78.0° |
| CZ | O1 | C1 | H1 | 121.7° | 154.0° |
| O1 | CZ | NH1 | HH11 | 0.0° | 0.0° |
| NH1 | CZ | NE | CD | 0.0° | 20.8° |
| NH1 | CZ | NE | C8 | 179.4° | 159.2° |
| CZ | NE | CD | C8 | 179.3° | 179.9° |
| CZ | NE | CD | CG | 74.5° | 89.9° |
| CZ | NE | C8 | O4 | 114.5° | 113.6° |
| CZ | NE | C8 | C1 | 1.0° | 0.7° |
| NE | CZ | NH1 | HH11 | 179.9° | 179.9° |
| CZ | NE | CD | HD2 | 46.1° | 150.1° |
| CZ | NE | CD | HD3 | 165.0° | 30.0° |
| CZ | NE | C8 | H13 | 117.8° | 120.5° |
| NE | CD | CG | HD2 | 120.6° | 120.0° |
| NE | CD | CG | HD3 | 120.6° | 120.0° |
| NE | CD | CG | CB | 170.1° | 180.0° |
| CD | NE | C8 | O4 | 66.1° | 66.3° |
| CD | NE | C8 | C1 | 179.6° | 179.4° |
| NE | CD | HD2 | HD3 | 118.3° | 120.0° |
| NE | CD | CG | HG2 | 49.4° | 60.0° |
| NE | CD | CG | HG3 | 69.3° | 60.0° |
| CD | NE | C8 | H13 | 61.6° | 59.5° |
| CD | CG | CB | HG2 | 120.7° | 120.0° |
| CD | CG | CB | HG3 | 120.6° | 120.0° |
| CD | CG | CB | CA | 64.2° | 180.0° |
| CG | CD | NE | C8 | 104.8° | 90.0° |
| CG | CD | HD2 | HD3 | 118.2° | 120.0° |
| CD | CG | HG2 | HG3 | 118.0° | 120.0° |
| CD | CG | CB | HB2 | 56.6° | 60.0° |
| CD | CG | CB | HB3 | 174.9° | 60.1° |
| CG | CB | CA | HB2 | 120.8° | 120.0° |
| CG | CB | CA | HB3 | 120.8° | 119.9° |
| CG | CB | CA | N | 56.5° | 65.0° |
| CG | CB | CA | C | 178.6° | 175.0° |
| CB | CG | CD | HD2 | 69.3° | 60.0° |
| CB | CG | CD | HD3 | 49.5° | 60.0° |
| CB | CG | HG2 | HG3 | 118.0° | 120.0° |
| CG | CB | HB2 | HB3 | 117.4° | 120.0° |
| CG | CB | CA | HA | 62.2° | 55.0° |
| CB | CA | N | C | 123.5° | 120.0° |
| CB | CA | N | HA | 118.2° | 120.0° |
| CB | CA | C | HA | 116.4° | 120.0° |
| CB | CA | C | OXT | 79.1° | 79.9° |
| CB | CA | C | O | 100.6° | 100.0° |
| CA | CB | CG | HG2 | 175.1° | 60.0° |
| CA | CB | CG | HG3 | 56.4° | 60.0° |
| CA | CB | HB2 | HB3 | 117.3° | 120.0° |
| CB | CA | N | H | 180.0° | 60.0° |
| CB | CA | N | H2 | 60.0° | 63.9° |
| N | CA | C | HA | 118.7° | 120.0° |
| N | CA | C | OXT | 156.0° | 160.0° |
| N | CA | C | O | 24.3° | 20.1° |
| N | CA | CB | HB2 | 177.3° | 175.0° |
| N | CA | CB | HB3 | 64.3° | 55.0° |
| CA | N | H | H2 | 120.0° | 123.9° |
| CA | C | OXT | O | 179.8° | 179.9° |
| C | CA | CB | HB2 | 57.8° | 55.0° |
| C | CA | CB | HB3 | 60.5° | 65.1° |
| C | CA | N | H | 56.5° | 60.0° |
| C | CA | N | H2 | 63.5° | 176.0° |
| CA | C | OXT | HXT | 179.7° | 180.0° |
| OXT | C | CA | HA | 37.3° | 40.0° |
| O | C | CA | HA | 143.0° | 140.1° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| NE | C8 | O4 | C1 | 111.1° | 112.2° |
| NE | C8 | O4 | H13 | 127.3° | 125.5° |
| NE | C8 | O4 | C9 | 133.8° | 85.4° |
| NE | C8 | C1 | H13 | 119.5° | 119.8° |
| NE | C8 | C1 | C21 | 117.5° | 93.8° |
| NE | C8 | C1 | H1 | 122.4° | 141.0° |
| C8 | NE | CD | HD2 | 134.6° | 30.0° |
| C8 | NE | CD | HD3 | 15.7° | 150.1° |
| C8 | O4 | C9 | C10 | 87.7° | 138.1° |
| C8 | O4 | C9 | C21 | 36.6° | 18.4° |
| O4 | C8 | C1 | H13 | 122.7° | 122.5° |
| O4 | C8 | C1 | C21 | 0.3° | 23.9° |
| O4 | C8 | C1 | H1 | 119.8° | 101.3° |
| C8 | O4 | C9 | H14 | 152.5° | 101.2° |
| O4 | C9 | C10 | C21 | 117.4° | 118.7° |
| O4 | C9 | C10 | H14 | 120.4° | 120.7° |
| O4 | C9 | C10 | O5 | 170.0° | 66.4° |
| O4 | C9 | C21 | H14 | 116.8° | 119.7° |
| O4 | C9 | C21 | O15 | 86.5° | 121.3° |
| C9 | O4 | C8 | C1 | 22.6° | 26.8° |
| O4 | C9 | C21 | C1 | 34.3° | 2.4° |
| C9 | O4 | C8 | H13 | 98.9° | 149.1° |
| O4 | C9 | C10 | H15 | 70.0° | 173.6° |
| O4 | C9 | C10 | H16 | 50.0° | 53.5° |
| O4 | C9 | C21 | H31 | 150.5° | 116.5° |
| C9 | C10 | O5 | H15 | 120.0° | 120.0° |
| C9 | C10 | O5 | H16 | 120.0° | 119.9° |
| C9 | C10 | O5 | P1 | 169.6° | 180.0° |
| C10 | C9 | C21 | H14 | 122.4° | 120.6° |
| C10 | C9 | C21 | O15 | 152.7° | 119.0° |
| C10 | C9 | C21 | C1 | 86.5° | 122.1° |
| C9 | C10 | H15 | H16 | 120.0° | 120.0° |
| C10 | C9 | C21 | H31 | 29.7° | 3.2° |
| C10 | O5 | P1 | O6 | 78.4° | 65.0° |
| C10 | O5 | P1 | O7 | 50.3° | 55.0° |
| C10 | O5 | P1 | O8 | 169.9° | 175.0° |
| O5 | C10 | C9 | C21 | 72.6° | 174.9° |
| O5 | C10 | C9 | H14 | 49.6° | 54.3° |
| O5 | C10 | H15 | H16 | 120.0° | 120.0° |
| O5 | P1 | O6 | O7 | 129.1° | 120.0° |
| O5 | P1 | O6 | O8 | 110.7° | 120.0° |
| O5 | P1 | O7 | O8 | 116.5° | 120.0° |
| O5 | P1 | O8 | P2 | 44.4° | 165.0° |
| P1 | O5 | C10 | H15 | 70.4° | 60.0° |
| P1 | O5 | C10 | H16 | 49.6° | 60.1° |
| O5 | P1 | O6 | H17 | 129.1° | 60.0° |
| O6 | P1 | O7 | O8 | 118.0° | 120.0° |
| O6 | P1 | O8 | P2 | 157.9° | 75.0° |
| O7 | P1 | O8 | P2 | 78.9° | 45.0° |
| O7 | P1 | O6 | H17 | 0.0° | 180.0° |
| P1 | O8 | P2 | O9 | 43.1° | 75.0° |
| P1 | O8 | P2 | O10 | 166.2° | 45.0° |
| P1 | O8 | P2 | O11 | 70.3° | 165.0° |
| O8 | P1 | O6 | H17 | 120.2° | 60.0° |
| O8 | P2 | O9 | O10 | 120.1° | 120.0° |
| O8 | P2 | O9 | O11 | 111.0° | 120.0° |
| O8 | P2 | O10 | O11 | 117.0° | 120.0° |
| O8 | P2 | O11 | C11 | 160.9° | 175.0° |
| O8 | P2 | O9 | H18 | 120.0° | 60.0° |
| O9 | P2 | O10 | O11 | 125.2° | 120.0° |
| O9 | P2 | O11 | C11 | 49.2° | 65.0° |
| O10 | P2 | O11 | C11 | 79.3° | 55.0° |
| O10 | P2 | O9 | H18 | 0.0° | 180.0° |
| P2 | O11 | C11 | C12 | 178.8° | 180.0° |
| O11 | P2 | O9 | H18 | 129.0° | 60.0° |
| P2 | O11 | C11 | H19 | 61.2° | 60.0° |
| P2 | O11 | C11 | H20 | 58.8° | 60.0° |
| O11 | C11 | C12 | H19 | 120.0° | 120.0° |
| O11 | C11 | C12 | H20 | 120.0° | 120.0° |
| O11 | C11 | C12 | O12 | 174.8° | 66.5° |
| O11 | C11 | C12 | C15 | 67.6° | 175.7° |
| O11 | C11 | H19 | H20 | 119.9° | 120.0° |
| O11 | C11 | C12 | H21 | 54.9° | 54.6° |
| C11 | C12 | O12 | C15 | 124.2° | 119.4° |
| C11 | C12 | O12 | H21 | 119.3° | 121.0° |
| C11 | C12 | O12 | C13 | 105.7° | 145.9° |
| C11 | C12 | C15 | C14 | 85.4° | 121.5° |
| C11 | C12 | C15 | O14 | 154.7° | 119.9° |
| C11 | C12 | C15 | H21 | 122.7° | 121.0° |
| C12 | C11 | H19 | H20 | 119.9° | 120.0° |
| C11 | C12 | C15 | H25 | 31.2° | 2.8° |
| C12 | O12 | C13 | C14 | 5.6° | 40.1° |
| O12 | C12 | C15 | C14 | 34.6° | 2.0° |
| O12 | C12 | C15 | O14 | 85.2° | 120.7° |
| C12 | O12 | C13 | N4 | 127.8° | 158.6° |
| O12 | C12 | C15 | H21 | 117.2° | 119.5° |
| O12 | C12 | C11 | H19 | 54.8° | 53.5° |
| O12 | C12 | C11 | H20 | 65.2° | 173.5° |
| C12 | O12 | C13 | H22 | 112.2° | 78.5° |
| O12 | C12 | C15 | H25 | 151.3° | 116.6° |
| O12 | C13 | C14 | N4 | 119.9° | 118.5° |
| O12 | C13 | C14 | H22 | 118.6° | 118.6° |
| O12 | C13 | C14 | O13 | 147.5° | 155.2° |
| O12 | C13 | C14 | C15 | 27.0° | 37.0° |
| O12 | C13 | N4 | H22 | 120.3° | 123.0° |
| O12 | C13 | N4 | C16 | 29.3° | 23.6° |
| C13 | O12 | C12 | C15 | 18.5° | 26.5° |
| O12 | C13 | N4 | C18 | 151.2° | 156.7° |
| C13 | O12 | C12 | H21 | 135.0° | 93.0° |
| O12 | C13 | C14 | H23 | 89.1° | 81.2° |
| C13 | C14 | O13 | C15 | 113.3° | 112.7° |
| C13 | C14 | O13 | H23 | 122.4° | 123.6° |
| C13 | C14 | C15 | H23 | 116.1° | 118.2° |
| C13 | C14 | C15 | O14 | 81.2° | 97.8° |
| C14 | C13 | N4 | H22 | 121.0° | 122.9° |
| C14 | C13 | N4 | C16 | 89.4° | 90.5° |
| C13 | C14 | C15 | C12 | 36.8° | 20.8° |
| C14 | C13 | N4 | C18 | 90.1° | 89.2° |
| C13 | C14 | O13 | H24 | 180.0° | 180.0° |
| C13 | C14 | C15 | H25 | 153.5° | 139.5° |
| O13 | C14 | C15 | H23 | 125.2° | 123.6° |
| O13 | C14 | C15 | O14 | 37.4° | 20.4° |
| O13 | C14 | C13 | N4 | 92.6° | 86.3° |
| O13 | C14 | C15 | C12 | 155.4° | 139.1° |
| O13 | C14 | C13 | H22 | 28.8° | 36.7° |
| O13 | C14 | C15 | H25 | 87.9° | 102.3° |
| C14 | C15 | O14 | C12 | 113.0° | 114.7° |
| C14 | C15 | O14 | H25 | 124.4° | 122.6° |
| C15 | C14 | C13 | N4 | 146.9° | 155.5° |
| C14 | C15 | C12 | H25 | 116.6° | 118.7° |
| C14 | C15 | C12 | H21 | 151.9° | 117.5° |
| C15 | C14 | C13 | H22 | 91.7° | 81.6° |
| C15 | C14 | O13 | H24 | 66.7° | 67.3° |
| C14 | C15 | O14 | H26 | 180.0° | 65.2° |
| O14 | C15 | C12 | H25 | 123.5° | 122.7° |
| O14 | C15 | C12 | H21 | 32.0° | 1.2° |
| O14 | C15 | C14 | H23 | 162.6° | 144.0° |
| C13 | N4 | C16 | C18 | 179.6° | 179.8° |
| C13 | N4 | C16 | N5 | 179.8° | 179.9° |
| C13 | N4 | C18 | C17 | 179.8° | 179.9° |
| C13 | N4 | C18 | N6 | 0.3° | 0.0° |
| N4 | C13 | C14 | H23 | 30.8° | 37.3° |
| C13 | N4 | C16 | H27 | 0.2° | 0.0° |
| N4 | C16 | N5 | H27 | 180.0° | 180.0° |
| N4 | C16 | N5 | C17 | 0.2° | 0.1° |
| C16 | N4 | C18 | C17 | 0.2° | 0.3° |
| C16 | N4 | C18 | N6 | 179.8° | 179.7° |
| C16 | N4 | C13 | H22 | 149.7° | 146.5° |
| C16 | N5 | C17 | C18 | 0.1° | 0.3° |
| N5 | C16 | N4 | C18 | 0.3° | 0.2° |
| C16 | N5 | C17 | C20 | 179.9° | 180.0° |
| N5 | C17 | C18 | C20 | 180.0° | 179.8° |
| N5 | C17 | C18 | N6 | 180.0° | 179.7° |
| N5 | C17 | C20 | N7 | 180.0° | 179.2° |
| N5 | C17 | C20 | N8 | 0.0° | 0.0° |
| N5 | C17 | C18 | N4 | 0.1° | 0.4° |
| C17 | N5 | C16 | H27 | 179.8° | 180.0° |
| C17 | C18 | N6 | N4 | 180.0° | 179.9° |
| C17 | C18 | N6 | C19 | 0.0° | 0.1° |
| C18 | C17 | C20 | N7 | 0.0° | 0.5° |
| C18 | C17 | C20 | N8 | 180.0° | 179.8° |
| C18 | N6 | C19 | N7 | 0.0° | 0.0° |
| N6 | C18 | C17 | C20 | 0.0° | 0.1° |
| C18 | N6 | C19 | H28 | 180.0° | 180.0° |
| N6 | C19 | N7 | H28 | 180.0° | 180.0° |
| N6 | C19 | N7 | C20 | 0.0° | 0.4° |
| C19 | N6 | C18 | N4 | 180.0° | 179.9° |
| C19 | N7 | C20 | N8 | 179.9° | 179.9° |
| C19 | N7 | C20 | C17 | 0.0° | 0.6° |
| N7 | C20 | N8 | C17 | 180.0° | 179.2° |
| C20 | N7 | C19 | H28 | 179.9° | 179.6° |
| N7 | C20 | N8 | H29 | 0.0° | 179.3° |
| N7 | C20 | N8 | H30 | 120.0° | 0.8° |
| C20 | N8 | H29 | H30 | 120.0° | 179.9° |
| C9 | C21 | O15 | C1 | 113.5° | 115.8° |
| C9 | C21 | O15 | H31 | 122.1° | 122.1° |
| C9 | C21 | C1 | C8 | 21.0° | 12.7° |
| C9 | C21 | C1 | H31 | 116.3° | 118.9° |
| C9 | C21 | C1 | H1 | 99.2° | 112.2° |
| C21 | C9 | C10 | H15 | 47.4° | 54.9° |
| C21 | C9 | C10 | H16 | 167.4° | 65.2° |
| C9 | C21 | O15 | H32 | 180.0° | 64.3° |
| O15 | C21 | C1 | C8 | 97.5° | 106.3° |
| O15 | C21 | C1 | H31 | 125.3° | 122.1° |
| O15 | C21 | C1 | H1 | 142.4° | 128.9° |
| O15 | C21 | C9 | H14 | 30.3° | 1.6° |
| C8 | C1 | C21 | H1 | 120.2° | 124.9° |
| C8 | C1 | C21 | H31 | 137.3° | 131.6° |
| C15 | C12 | C11 | H19 | 172.4° | 64.3° |
| C15 | C12 | C11 | H20 | 52.4° | 55.7° |
| C12 | C15 | C14 | H23 | 79.3° | 97.3° |
| C12 | C15 | O14 | H26 | 67.0° | 180.0° |
| N4 | C18 | C17 | C20 | 180.0° | 179.8° |
| C18 | N4 | C13 | H22 | 30.9° | 33.8° |
| C18 | N4 | C16 | H27 | 179.7° | 179.8° |
| C21 | C1 | C8 | H13 | 123.0° | 146.4° |
| C1 | C21 | C9 | H14 | 151.1° | 117.3° |
| C1 | C21 | O15 | H32 | 66.5° | 180.0° |
| C17 | C20 | N8 | H29 | 180.0° | 0.1° |
| C17 | C20 | N8 | H30 | 60.1° | 180.0° |
| H1 | C1 | C8 | H13 | 2.9° | 21.2° |
| H1 | C1 | C21 | H31 | 17.1° | 6.7° |
| HD2 | CD | CG | HG2 | 170.0° | 180.0° |
| HD2 | CD | CG | HG3 | 51.3° | 60.0° |
| HD3 | CD | CG | HG2 | 71.2° | 60.0° |
| HD3 | CD | CG | HG3 | 170.2° | 180.0° |
| HG2 | CG | CB | HB2 | 64.1° | 180.0° |
| HG2 | CG | CB | HB3 | 54.3° | 59.9° |
| HG3 | CG | CB | HB2 | 177.2° | 60.0° |
| HG3 | CG | CB | HB3 | 64.4° | 179.9° |
| HB2 | CB | CA | HA | 58.7° | 65.0° |
| HB3 | CB | CA | HA | 177.0° | 175.0° |
| HA | CA | N | H | 61.8° | 180.0° |
| HA | CA | N | H2 | 178.2° | 56.1° |
| H14 | C9 | C10 | H15 | 169.6° | 65.7° |
| H14 | C9 | C10 | H16 | 70.4° | 174.2° |
| H14 | C9 | C21 | H31 | 92.7° | 123.8° |
| H19 | C11 | C12 | H21 | 65.1° | 174.6° |
| H20 | C11 | C12 | H21 | 175.0° | 65.4° |
| H21 | C12 | C15 | H25 | 91.5° | 123.9° |
| H22 | C13 | C14 | H23 | 152.2° | 160.2° |
| H23 | C14 | O13 | H24 | 57.6° | 56.4° |
| H23 | C14 | C15 | H25 | 37.3° | 21.3° |
| H25 | C15 | O14 | H26 | 55.6° | 57.4° |
| H31 | C21 | O15 | H32 | 57.9° | 57.9° |
