7L1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N45 | C44 | sing | 1.38Å | 1.42Å | |
| C23 | N22 | sing | 1.46Å | 1.44Å | |
| C23 | C24 | sing | 1.53Å | 1.50Å | |
| C44 | N43 | doub | 1.33Å | 1.37Å | Aromatic |
| C44 | C39 | sing | 1.41Å | 1.44Å | Aromatic |
| N22 | C20 | sing | 1.35Å | 1.48Å | |
| N43 | C42 | sing | 1.32Å | 1.31Å | Aromatic |
| C24 | C25 | sing | 1.51Å | 1.56Å | |
| C20 | O21 | doub | 1.21Å | 1.22Å | |
| C20 | C18 | sing | 1.51Å | 1.53Å | |
| O19 | C18 | sing | 1.43Å | 1.38Å | |
| C39 | N38 | sing | 1.35Å | 1.37Å | Aromatic |
| C39 | C40 | doub | 1.40Å | 1.40Å | Aromatic |
| O12 | P10 | doub | 1.48Å | 1.50Å | |
| C42 | N41 | doub | 1.32Å | 1.35Å | Aromatic |
| N38 | C37 | doub | 1.30Å | 1.34Å | Aromatic |
| C18 | C15 | sing | 1.53Å | 1.55Å | |
| O26 | C25 | doub | 1.21Å | 1.24Å | |
| C25 | N27 | sing | 1.35Å | 1.42Å | |
| C40 | N41 | sing | 1.33Å | 1.37Å | Aromatic |
| C40 | N36 | sing | 1.37Å | 1.37Å | Aromatic |
| O11 | P10 | sing | 1.61Å | 1.50Å | |
| P10 | O13 | sing | 1.61Å | 1.55Å | |
| P10 | O09 | sing | 1.61Å | 1.60Å | |
| C37 | N36 | sing | 1.36Å | 1.33Å | Aromatic |
| O13 | C14 | sing | 1.43Å | 1.39Å | |
| O51 | P48 | doub | 1.48Å | 1.51Å | |
| O50 | P48 | sing | 1.61Å | 1.53Å | |
| C15 | C14 | sing | 1.53Å | 1.54Å | |
| C15 | C17 | sing | 1.53Å | 1.51Å | |
| C15 | C16 | sing | 1.53Å | 1.51Å | |
| O08 | P06 | doub | 1.48Å | 1.51Å | |
| N36 | C35 | sing | 1.46Å | 1.43Å | |
| N27 | C28 | sing | 1.47Å | 1.44Å | |
| P48 | O47 | sing | 1.61Å | 1.62Å | |
| P48 | O49 | sing | 1.61Å | 1.52Å | |
| O47 | C46 | sing | 1.43Å | 1.51Å | |
| O09 | P06 | sing | 1.61Å | 1.60Å | |
| P06 | O05 | sing | 1.61Å | 1.58Å | |
| P06 | O07 | sing | 1.61Å | 1.50Å | |
| C46 | C35 | sing | 1.55Å | 1.26Å | |
| C46 | C01 | sing | 1.55Å | 1.52Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C35 | O34 | sing | 1.44Å | 1.62Å | |
| C29 | S30 | sing | 1.81Å | 1.80Å | |
| O05 | C04 | sing | 1.43Å | 1.43Å | |
| O34 | C03 | sing | 1.44Å | 1.28Å | |
| C01 | C03 | sing | 1.54Å | 1.53Å | |
| C01 | O02 | sing | 1.43Å | 1.37Å | |
| C04 | C03 | sing | 1.53Å | 1.59Å | |
| O33 | C31 | doub | 1.21Å | 1.22Å | |
| S30 | C31 | sing | 1.71Å | 1.81Å | |
| C31 | C32 | sing | 1.51Å | 1.52Å | |
| C17 | H1 | sing | 1.09Å | 1.10Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C24 | H4 | sing | 1.09Å | 1.10Å | |
| C24 | H5 | sing | 1.09Å | 1.10Å | |
| C28 | H6 | sing | 1.09Å | 1.10Å | |
| C28 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| O02 | H9 | sing | 0.97Å | 0.95Å | |
| C03 | H10 | sing | 1.09Å | 1.10Å | |
| C04 | H11 | sing | 1.09Å | 1.10Å | |
| C04 | H12 | sing | 1.09Å | 1.10Å | |
| O07 | H13 | sing | 0.97Å | 0.95Å | |
| O11 | H14 | sing | 0.97Å | 0.95Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| O19 | H21 | sing | 0.97Å | 0.95Å | |
| N22 | H22 | sing | 0.97Å | 1.00Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| N27 | H25 | sing | 0.97Å | 1.00Å | |
| C29 | H26 | sing | 1.09Å | 1.10Å | |
| C29 | H27 | sing | 1.09Å | 1.10Å | |
| C32 | H28 | sing | 1.09Å | 1.10Å | |
| C32 | H29 | sing | 1.09Å | 1.10Å | |
| C32 | H30 | sing | 1.09Å | 1.10Å | |
| C35 | H31 | sing | 1.09Å | 1.10Å | |
| C37 | H32 | sing | 1.08Å | 1.08Å | |
| C42 | H33 | sing | 1.08Å | 1.08Å | |
| N45 | H34 | sing | 0.97Å | 1.00Å | |
| N45 | H35 | sing | 0.97Å | 1.00Å | |
| C46 | H36 | sing | 1.09Å | 1.10Å | |
| O49 | H37 | sing | 0.97Å | 0.95Å | |
| O50 | H38 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N45 | C44 | N43 | 120.4° | 120.8° |
| N45 | C44 | C39 | 120.4° | 120.7° |
| C44 | N45 | H34 | 109.5° | 120.0° |
| C44 | N45 | H35 | 109.4° | 120.1° |
| N22 | C23 | C24 | 112.0° | 109.5° |
| C23 | N22 | C20 | 119.1° | 120.0° |
| C23 | N22 | H22 | 120.5° | 120.0° |
| N22 | C23 | H23 | 108.8° | 109.5° |
| N22 | C23 | H24 | 108.8° | 109.5° |
| C23 | C24 | C25 | 119.7° | 109.5° |
| C23 | C24 | H4 | 106.9° | 109.4° |
| C23 | C24 | H5 | 106.9° | 109.5° |
| C24 | C23 | H23 | 108.8° | 109.5° |
| C24 | C23 | H24 | 108.8° | 109.4° |
| N43 | C44 | C39 | 119.2° | 118.5° |
| C44 | N43 | C42 | 120.8° | 121.2° |
| C44 | C39 | N38 | 135.8° | 134.7° |
| C44 | C39 | C40 | 117.3° | 118.1° |
| N22 | C20 | O21 | 117.8° | 119.9° |
| N22 | C20 | C18 | 120.2° | 120.0° |
| C20 | N22 | H22 | 120.5° | 120.0° |
| N43 | C42 | N41 | 122.9° | 122.4° |
| N43 | C42 | H33 | 118.6° | 118.8° |
| C24 | C25 | O26 | 120.0° | 120.0° |
| C24 | C25 | N27 | 119.8° | 120.0° |
| C25 | C24 | H4 | 106.9° | 109.5° |
| C25 | C24 | H5 | 106.9° | 109.5° |
| O21 | C20 | C18 | 122.0° | 120.0° |
| C20 | C18 | O19 | 108.4° | 109.5° |
| C20 | C18 | C15 | 115.7° | 109.5° |
| C20 | C18 | H20 | 107.3° | 109.5° |
| O19 | C18 | C15 | 109.1° | 109.5° |
| O19 | C18 | H20 | 109.2° | 109.5° |
| C18 | O19 | H21 | 109.5° | 114.0° |
| N38 | C39 | C40 | 106.9° | 107.1° |
| C39 | N38 | C37 | 108.1° | 109.4° |
| C39 | C40 | N41 | 120.0° | 119.1° |
| C39 | C40 | N36 | 106.3° | 106.0° |
| O12 | P10 | O11 | 108.7° | 109.5° |
| O12 | P10 | O13 | 109.3° | 109.5° |
| O12 | P10 | O09 | 110.7° | 109.4° |
| C42 | N41 | C40 | 119.9° | 120.7° |
| N41 | C42 | H33 | 118.5° | 118.8° |
| N38 | C37 | N36 | 110.0° | 110.0° |
| N38 | C37 | H32 | 125.0° | 125.0° |
| C18 | C15 | C14 | 107.3° | 109.4° |
| C18 | C15 | C17 | 109.5° | 109.5° |
| C18 | C15 | C16 | 113.0° | 109.5° |
| C15 | C18 | H20 | 107.0° | 109.4° |
| O26 | C25 | N27 | 120.2° | 120.0° |
| C25 | N27 | C28 | 120.5° | 120.0° |
| C25 | N27 | H25 | 119.7° | 120.0° |
| N41 | C40 | N36 | 133.7° | 134.9° |
| C40 | N36 | C37 | 108.6° | 107.4° |
| C40 | N36 | C35 | 125.1° | 126.3° |
| O11 | P10 | O13 | 111.1° | 109.4° |
| O11 | P10 | O09 | 110.6° | 109.5° |
| P10 | O11 | H14 | 109.5° | 114.0° |
| O13 | P10 | O09 | 106.4° | 109.5° |
| P10 | O13 | C14 | 119.8° | 123.0° |
| P10 | O09 | P06 | 128.0° | 134.0° |
| C37 | N36 | C35 | 126.3° | 126.3° |
| N36 | C37 | H32 | 125.0° | 125.0° |
| O13 | C14 | C15 | 107.4° | 109.5° |
| O13 | C14 | H15 | 110.0° | 109.4° |
| O13 | C14 | H16 | 110.0° | 109.4° |
| O51 | P48 | O50 | 110.6° | 109.5° |
| O51 | P48 | O47 | 109.7° | 109.5° |
| O51 | P48 | O49 | 109.4° | 109.5° |
| O50 | P48 | O47 | 109.2° | 109.5° |
| O50 | P48 | O49 | 109.1° | 109.4° |
| P48 | O50 | H38 | 109.5° | 114.0° |
| C14 | C15 | C17 | 109.3° | 109.4° |
| C14 | C15 | C16 | 108.3° | 109.5° |
| C15 | C14 | H15 | 110.0° | 109.5° |
| C15 | C14 | H16 | 110.0° | 109.5° |
| C17 | C15 | C16 | 109.2° | 109.5° |
| C15 | C17 | H1 | 109.5° | 109.5° |
| C15 | C17 | H2 | 109.5° | 109.4° |
| C15 | C17 | H3 | 109.5° | 109.5° |
| C15 | C16 | H17 | 109.5° | 109.5° |
| C15 | C16 | H18 | 109.5° | 109.5° |
| C15 | C16 | H19 | 109.4° | 109.5° |
| O08 | P06 | O09 | 112.6° | 109.4° |
| O08 | P06 | O05 | 109.8° | 109.5° |
| O08 | P06 | O07 | 109.0° | 109.5° |
| N36 | C35 | C46 | 109.0° | 110.8° |
| N36 | C35 | O34 | 111.9° | 110.6° |
| N36 | C35 | H31 | 110.9° | 110.6° |
| N27 | C28 | C29 | 111.1° | 109.5° |
| N27 | C28 | H6 | 109.1° | 109.4° |
| N27 | C28 | H7 | 109.1° | 109.5° |
| C28 | N27 | H25 | 119.8° | 119.9° |
| O47 | P48 | O49 | 108.7° | 109.5° |
| P48 | O47 | C46 | 115.7° | 123.0° |
| P48 | O49 | H37 | 109.5° | 114.0° |
| O47 | C46 | C35 | 114.6° | 110.9° |
| O47 | C46 | C01 | 111.4° | 110.9° |
| O47 | C46 | H36 | 108.7° | 110.9° |
| O09 | P06 | O05 | 106.4° | 109.5° |
| O09 | P06 | O07 | 109.8° | 109.5° |
| O05 | P06 | O07 | 109.2° | 109.5° |
| P06 | O05 | C04 | 117.8° | 123.0° |
| P06 | O07 | H13 | 109.5° | 114.0° |
| C35 | C46 | C01 | 101.0° | 102.1° |
| C46 | C35 | O34 | 102.6° | 103.5° |
| C46 | C35 | H31 | 113.9° | 110.6° |
| C35 | C46 | H36 | 112.4° | 110.9° |
| C46 | C01 | C03 | 100.7° | 104.2° |
| C46 | C01 | O02 | 109.6° | 110.5° |
| C46 | C01 | H8 | 111.1° | 110.6° |
| C01 | C46 | H36 | 108.5° | 110.9° |
| C28 | C29 | S30 | 111.0° | 109.5° |
| C29 | C28 | H6 | 109.1° | 109.5° |
| C29 | C28 | H7 | 109.1° | 109.5° |
| C28 | C29 | H26 | 109.1° | 109.5° |
| C28 | C29 | H27 | 109.1° | 109.5° |
| C35 | O34 | C03 | 106.9° | 107.0° |
| O34 | C35 | H31 | 108.3° | 110.6° |
| C29 | S30 | C31 | 105.8° | 100.0° |
| S30 | C29 | H26 | 109.1° | 109.5° |
| S30 | C29 | H27 | 109.1° | 109.5° |
| O05 | C04 | C03 | 110.1° | 109.5° |
| O05 | C04 | H11 | 109.3° | 109.5° |
| O05 | C04 | H12 | 109.3° | 109.5° |
| O34 | C03 | C01 | 105.2° | 107.3° |
| O34 | C03 | C04 | 110.7° | 110.0° |
| O34 | C03 | H10 | 113.2° | 109.9° |
| C03 | C01 | O02 | 110.0° | 110.5° |
| C01 | C03 | C04 | 109.9° | 109.8° |
| C03 | C01 | H8 | 111.0° | 110.5° |
| C01 | C03 | H10 | 109.3° | 109.9° |
| O02 | C01 | H8 | 113.7° | 110.4° |
| C01 | O02 | H9 | 109.5° | 114.0° |
| C04 | C03 | H10 | 108.5° | 109.9° |
| C03 | C04 | H11 | 109.3° | 109.5° |
| C03 | C04 | H12 | 109.3° | 109.5° |
| O33 | C31 | S30 | 119.4° | 120.0° |
| O33 | C31 | C32 | 118.7° | 120.0° |
| S30 | C31 | C32 | 121.1° | 120.0° |
| C31 | C32 | H28 | 109.5° | 109.5° |
| C31 | C32 | H29 | 109.5° | 109.5° |
| C31 | C32 | H30 | 109.4° | 109.4° |
| H1 | C17 | H2 | 109.5° | 109.5° |
| H1 | C17 | H3 | 109.5° | 109.5° |
| H2 | C17 | H3 | 109.5° | 109.4° |
| H4 | C24 | H5 | 109.5° | 109.5° |
| H6 | C28 | H7 | 109.5° | 109.5° |
| H11 | C04 | H12 | 109.5° | 109.5° |
| H15 | C14 | H16 | 109.5° | 109.5° |
| H17 | C16 | H18 | 109.5° | 109.5° |
| H17 | C16 | H19 | 109.5° | 109.5° |
| H18 | C16 | H19 | 109.5° | 109.5° |
| H23 | C23 | H24 | 109.5° | 109.4° |
| H26 | C29 | H27 | 109.5° | 109.4° |
| H28 | C32 | H29 | 109.5° | 109.5° |
| H28 | C32 | H30 | 109.5° | 109.5° |
| H29 | C32 | H30 | 109.5° | 109.4° |
| H34 | N45 | H35 | 109.4° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N45 | C44 | N43 | C39 | 179.8° | 179.7° |
| N45 | C44 | N43 | C42 | 179.8° | 180.0° |
| N45 | C44 | C39 | N38 | 0.5° | 0.2° |
| N45 | C44 | C39 | C40 | 179.9° | 180.0° |
| C44 | N45 | H34 | H35 | 120.0° | 180.0° |
| N22 | C23 | C24 | H23 | 120.4° | 120.0° |
| N22 | C23 | C24 | H24 | 120.4° | 120.0° |
| C23 | N22 | C20 | H22 | 180.0° | 179.9° |
| N22 | C23 | C24 | C25 | 28.8° | 180.0° |
| C23 | N22 | C20 | O21 | 1.3° | 4.8° |
| C23 | N22 | C20 | C18 | 178.8° | 175.2° |
| N22 | C23 | C24 | H4 | 92.6° | 60.0° |
| N22 | C23 | C24 | H5 | 150.3° | 60.0° |
| N22 | C23 | H23 | H24 | 118.8° | 120.0° |
| C24 | C23 | N22 | C20 | 80.5° | 180.0° |
| C23 | C24 | C25 | H4 | 121.5° | 119.9° |
| C23 | C24 | C25 | H5 | 121.4° | 120.0° |
| C23 | C24 | C25 | O26 | 62.2° | 0.1° |
| C23 | C24 | C25 | N27 | 119.3° | 180.0° |
| C23 | C24 | H4 | H5 | 115.4° | 120.0° |
| C24 | C23 | N22 | H22 | 99.5° | 0.0° |
| C24 | C23 | H23 | H24 | 118.8° | 120.0° |
| N43 | C44 | C39 | N38 | 179.8° | 179.9° |
| N43 | C44 | C39 | C40 | 0.1° | 0.3° |
| C44 | N43 | C42 | N41 | 0.1° | 0.2° |
| C44 | N43 | C42 | H33 | 179.9° | 179.8° |
| N43 | C44 | N45 | H34 | 0.0° | 0.1° |
| N43 | C44 | N45 | H35 | 120.0° | 180.0° |
| C39 | C44 | N43 | C42 | 0.0° | 0.3° |
| C44 | C39 | N38 | C40 | 179.7° | 179.8° |
| C44 | C39 | N38 | C37 | 180.0° | 180.0° |
| C44 | C39 | C40 | N41 | 0.1° | 0.2° |
| C44 | C39 | C40 | N36 | 179.9° | 179.8° |
| C39 | C44 | N45 | H34 | 179.8° | 179.6° |
| C39 | C44 | N45 | H35 | 60.3° | 0.4° |
| N22 | C20 | O21 | C18 | 177.4° | 179.9° |
| N22 | C20 | C18 | O19 | 12.5° | 169.2° |
| N22 | C20 | C18 | C15 | 110.4° | 70.8° |
| N22 | C20 | C18 | H20 | 130.3° | 49.2° |
| C20 | N22 | C23 | H23 | 39.9° | 59.9° |
| C20 | N22 | C23 | H24 | 159.1° | 60.1° |
| N43 | C42 | N41 | H33 | 180.0° | 180.0° |
| N43 | C42 | N41 | C40 | 0.1° | 0.0° |
| C24 | C25 | O26 | N27 | 178.5° | 179.9° |
| C24 | C25 | N27 | C28 | 179.6° | 180.0° |
| C25 | C24 | H4 | H5 | 115.4° | 120.1° |
| C25 | C24 | C23 | H23 | 149.2° | 60.0° |
| C25 | C24 | C23 | H24 | 91.6° | 60.0° |
| C24 | C25 | N27 | H25 | 0.4° | 0.0° |
| O21 | C20 | C18 | O19 | 164.8° | 10.7° |
| O21 | C20 | C18 | C15 | 72.3° | 109.2° |
| O21 | C20 | C18 | H20 | 47.0° | 130.8° |
| O21 | C20 | N22 | H22 | 178.7° | 175.2° |
| C20 | C18 | O19 | C15 | 126.8° | 120.0° |
| C20 | C18 | O19 | H20 | 116.6° | 120.0° |
| C20 | C18 | C15 | H20 | 119.5° | 120.0° |
| C20 | C18 | C15 | C14 | 160.7° | 54.3° |
| C20 | C18 | C15 | C17 | 80.8° | 174.3° |
| C20 | C18 | C15 | C16 | 41.3° | 65.7° |
| C20 | C18 | O19 | H21 | 180.0° | 60.0° |
| C18 | C20 | N22 | H22 | 1.2° | 4.7° |
| O19 | C18 | C15 | H20 | 118.0° | 120.0° |
| O19 | C18 | C15 | C14 | 76.8° | 65.6° |
| O19 | C18 | C15 | C17 | 41.7° | 54.3° |
| O19 | C18 | C15 | C16 | 163.8° | 174.4° |
| N38 | C39 | C40 | N41 | 179.9° | 180.0° |
| N38 | C39 | C40 | N36 | 0.2° | 0.4° |
| C39 | N38 | C37 | N36 | 0.3° | 0.0° |
| C39 | N38 | C37 | H32 | 179.7° | 180.0° |
| C39 | C40 | N41 | C42 | 0.0° | 0.0° |
| C40 | C39 | N38 | C37 | 0.3° | 0.2° |
| C39 | C40 | N41 | N36 | 180.0° | 179.5° |
| C39 | C40 | N36 | C37 | 0.1° | 0.4° |
| C39 | C40 | N36 | C35 | 179.5° | 179.9° |
| O12 | P10 | O11 | O13 | 120.4° | 120.0° |
| O12 | P10 | O11 | O09 | 121.7° | 120.0° |
| O12 | P10 | O13 | O09 | 119.5° | 120.0° |
| O12 | P10 | O13 | C14 | 91.2° | 55.0° |
| O12 | P10 | O09 | P06 | 68.9° | 45.1° |
| O12 | P10 | O11 | H14 | 0.0° | 180.0° |
| C42 | N41 | C40 | N36 | 180.0° | 179.5° |
| N38 | C37 | N36 | C40 | 0.2° | 0.3° |
| N38 | C37 | N36 | H32 | 180.0° | 179.9° |
| N38 | C37 | N36 | C35 | 179.7° | 180.0° |
| C18 | C15 | C14 | O13 | 49.0° | 180.0° |
| C18 | C15 | C14 | C17 | 118.7° | 120.0° |
| C18 | C15 | C14 | C16 | 122.4° | 120.0° |
| C18 | C15 | C17 | C16 | 124.3° | 120.0° |
| C18 | C15 | C17 | H1 | 180.0° | 66.8° |
| C18 | C15 | C17 | H2 | 60.0° | 53.3° |
| C18 | C15 | C17 | H3 | 60.0° | 173.2° |
| C18 | C15 | C14 | H15 | 70.7° | 60.0° |
| C18 | C15 | C14 | H16 | 168.6° | 60.0° |
| C18 | C15 | C16 | H17 | 180.0° | 174.7° |
| C18 | C15 | C16 | H18 | 60.0° | 54.7° |
| C18 | C15 | C16 | H19 | 60.0° | 65.3° |
| C15 | C18 | O19 | H21 | 53.2° | 60.0° |
| O26 | C25 | N27 | C28 | 1.1° | 0.1° |
| O26 | C25 | C24 | H4 | 176.3° | 120.0° |
| O26 | C25 | C24 | H5 | 59.2° | 119.9° |
| O26 | C25 | N27 | H25 | 178.9° | 179.9° |
| C25 | N27 | C28 | H25 | 180.0° | 180.0° |
| C25 | N27 | C28 | C29 | 76.4° | 180.0° |
| N27 | C25 | C24 | H4 | 2.1° | 60.1° |
| N27 | C25 | C24 | H5 | 119.2° | 59.9° |
| C25 | N27 | C28 | H6 | 43.8° | 60.0° |
| C25 | N27 | C28 | H7 | 163.4° | 59.9° |
| N41 | C40 | N36 | C37 | 179.9° | 179.9° |
| N41 | C40 | N36 | C35 | 0.5° | 0.4° |
| C40 | N41 | C42 | H33 | 179.9° | 179.9° |
| C40 | N36 | C37 | C35 | 179.4° | 179.7° |
| C40 | N36 | C35 | C46 | 102.8° | 89.1° |
| C40 | N36 | C35 | O34 | 144.4° | 156.8° |
| C40 | N36 | C35 | H31 | 23.3° | 33.9° |
| C40 | N36 | C37 | H32 | 179.8° | 179.8° |
| O11 | P10 | O13 | O09 | 120.5° | 120.0° |
| O11 | P10 | O13 | C14 | 148.8° | 65.0° |
| O11 | P10 | O09 | P06 | 51.7° | 75.0° |
| P10 | O13 | C14 | C15 | 164.7° | 180.0° |
| O13 | P10 | O09 | P06 | 172.5° | 165.0° |
| O13 | P10 | O11 | H14 | 120.4° | 60.0° |
| P10 | O13 | C14 | H15 | 45.1° | 59.9° |
| P10 | O13 | C14 | H16 | 75.6° | 60.0° |
| O09 | P10 | O13 | C14 | 28.4° | 174.9° |
| P10 | O09 | P06 | O08 | 14.0° | 40.0° |
| P10 | O09 | P06 | O05 | 134.4° | 160.0° |
| P10 | O09 | P06 | O07 | 107.6° | 79.9° |
| O09 | P10 | O11 | H14 | 121.7° | 60.0° |
| C37 | N36 | C35 | C46 | 76.5° | 90.6° |
| C37 | N36 | C35 | O34 | 36.3° | 23.5° |
| C37 | N36 | C35 | H31 | 157.4° | 146.5° |
| O13 | C14 | C15 | H15 | 119.6° | 120.0° |
| O13 | C14 | C15 | H16 | 119.7° | 120.0° |
| O13 | C14 | C15 | C17 | 167.7° | 60.0° |
| O13 | C14 | C15 | C16 | 73.4° | 60.0° |
| O13 | C14 | H15 | H16 | 120.9° | 119.9° |
| O51 | P48 | O50 | O47 | 120.9° | 120.0° |
| O51 | P48 | O50 | O49 | 120.4° | 120.0° |
| O51 | P48 | O47 | O49 | 119.6° | 120.0° |
| O51 | P48 | O47 | C46 | 168.5° | 55.0° |
| O51 | P48 | O49 | H37 | 0.0° | 60.0° |
| O51 | P48 | O50 | H38 | 0.0° | 180.0° |
| O50 | P48 | O47 | O49 | 118.9° | 120.0° |
| O50 | P48 | O47 | C46 | 47.1° | 65.0° |
| O50 | P48 | O49 | H37 | 121.1° | 60.0° |
| C14 | C15 | C17 | C16 | 118.4° | 120.0° |
| C14 | C15 | C17 | H1 | 62.7° | 53.2° |
| C14 | C15 | C17 | H2 | 177.3° | 173.2° |
| C14 | C15 | C17 | H3 | 57.3° | 66.8° |
| C15 | C14 | H15 | H16 | 121.0° | 120.1° |
| C14 | C15 | C16 | H17 | 61.2° | 65.3° |
| C14 | C15 | C16 | H18 | 58.8° | 174.7° |
| C14 | C15 | C16 | H19 | 178.8° | 54.7° |
| C14 | C15 | C18 | H20 | 41.2° | 174.3° |
| C15 | C17 | H1 | H2 | 120.0° | 120.0° |
| C15 | C17 | H1 | H3 | 120.0° | 120.0° |
| C15 | C17 | H2 | H3 | 120.0° | 120.0° |
| C17 | C15 | C14 | H15 | 48.0° | 180.0° |
| C17 | C15 | C14 | H16 | 72.7° | 60.0° |
| C17 | C15 | C16 | H17 | 57.8° | 54.6° |
| C17 | C15 | C16 | H18 | 177.8° | 65.4° |
| C17 | C15 | C16 | H19 | 62.2° | 174.6° |
| C17 | C15 | C18 | H20 | 159.7° | 65.7° |
| C16 | C15 | C17 | H1 | 55.7° | 173.2° |
| C16 | C15 | C17 | H2 | 64.3° | 66.8° |
| C16 | C15 | C17 | H3 | 175.7° | 53.2° |
| C16 | C15 | C14 | H15 | 167.0° | 60.0° |
| C16 | C15 | C14 | H16 | 46.3° | 180.0° |
| C15 | C16 | H17 | H18 | 120.0° | 120.0° |
| C15 | C16 | H17 | H19 | 120.0° | 120.0° |
| C15 | C16 | H18 | H19 | 120.0° | 120.0° |
| C16 | C15 | C18 | H20 | 78.2° | 54.3° |
| O08 | P06 | O09 | O05 | 120.3° | 120.0° |
| O08 | P06 | O09 | O07 | 121.6° | 120.0° |
| O08 | P06 | O05 | O07 | 119.4° | 120.0° |
| O08 | P06 | O05 | C04 | 151.2° | 55.0° |
| O08 | P06 | O07 | H13 | 0.0° | 180.0° |
| N36 | C35 | C46 | O47 | 77.0° | 86.2° |
| N36 | C35 | C46 | O34 | 118.8° | 118.6° |
| N36 | C35 | C46 | H31 | 124.4° | 122.9° |
| N36 | C35 | C46 | C01 | 163.1° | 155.6° |
| N36 | C35 | O34 | H31 | 122.6° | 122.9° |
| N36 | C35 | O34 | C03 | 144.8° | 158.7° |
| C35 | N36 | C37 | H32 | 0.4° | 0.1° |
| N36 | C35 | C46 | H36 | 47.7° | 37.4° |
| N27 | C28 | C29 | H6 | 120.2° | 120.0° |
| N27 | C28 | C29 | H7 | 120.3° | 120.0° |
| N27 | C28 | C29 | S30 | 152.6° | 180.0° |
| N27 | C28 | H6 | H7 | 119.2° | 120.0° |
| N27 | C28 | C29 | H26 | 32.4° | 60.0° |
| N27 | C28 | C29 | H27 | 87.1° | 60.0° |
| P48 | O47 | C46 | C35 | 177.9° | 120.0° |
| P48 | O47 | C46 | C01 | 68.2° | 127.3° |
| P48 | O47 | C46 | H36 | 51.2° | 3.6° |
| O47 | P48 | O49 | H37 | 119.8° | 180.0° |
| O47 | P48 | O50 | H38 | 120.9° | 60.0° |
| O49 | P48 | O47 | C46 | 71.9° | 175.0° |
| O49 | P48 | O50 | H38 | 120.4° | 60.0° |
| O47 | C46 | C35 | C01 | 119.9° | 118.2° |
| O47 | C46 | C35 | H36 | 124.7° | 123.6° |
| O47 | C46 | C01 | H36 | 119.6° | 123.6° |
| O47 | C46 | C35 | O34 | 164.2° | 155.2° |
| O47 | C46 | C01 | C03 | 169.9° | 139.0° |
| O47 | C46 | C01 | O02 | 54.0° | 20.4° |
| O47 | C46 | C01 | H8 | 72.4° | 102.2° |
| O47 | C46 | C35 | H31 | 47.4° | 36.7° |
| O09 | P06 | O05 | O07 | 118.5° | 120.0° |
| O09 | P06 | O05 | C04 | 86.7° | 175.0° |
| O09 | P06 | O07 | H13 | 123.7° | 60.1° |
| P06 | O05 | C04 | C03 | 168.9° | 180.0° |
| P06 | O05 | C04 | H11 | 71.0° | 60.0° |
| P06 | O05 | C04 | H12 | 48.8° | 60.0° |
| O05 | P06 | O07 | H13 | 120.0° | 60.0° |
| O07 | P06 | O05 | C04 | 31.7° | 65.0° |
| C35 | C46 | C01 | H36 | 118.3° | 118.1° |
| C46 | C35 | O34 | H31 | 120.7° | 118.5° |
| C46 | C35 | O34 | C03 | 28.1° | 40.1° |
| C35 | C46 | C01 | C03 | 47.8° | 20.8° |
| C35 | C46 | C01 | O02 | 68.1° | 97.8° |
| C35 | C46 | C01 | H8 | 165.5° | 139.6° |
| C01 | C46 | C35 | O34 | 44.3° | 37.0° |
| C46 | C01 | C03 | O34 | 28.7° | 2.1° |
| C46 | C01 | C03 | O02 | 115.6° | 118.6° |
| C46 | C01 | C03 | H8 | 117.7° | 118.9° |
| C46 | C01 | O02 | H8 | 124.9° | 122.7° |
| C46 | C01 | C03 | C04 | 90.5° | 121.6° |
| C46 | C01 | O02 | H9 | 180.0° | 176.2° |
| C46 | C01 | C03 | H10 | 150.6° | 117.4° |
| C01 | C46 | C35 | H31 | 72.5° | 81.5° |
| C28 | C29 | S30 | H26 | 120.2° | 120.0° |
| C28 | C29 | S30 | H27 | 120.2° | 120.0° |
| C28 | C29 | S30 | C31 | 100.4° | 180.0° |
| C29 | C28 | H6 | H7 | 119.3° | 120.0° |
| C29 | C28 | N27 | H25 | 103.6° | 0.0° |
| C28 | C29 | H26 | H27 | 119.3° | 120.0° |
| C35 | O34 | C03 | C01 | 3.7° | 26.6° |
| C35 | O34 | C03 | C04 | 114.9° | 146.0° |
| C35 | O34 | C03 | H10 | 123.0° | 92.9° |
| O34 | C35 | C46 | H36 | 71.1° | 81.2° |
| C29 | S30 | C31 | O33 | 12.1° | 0.0° |
| C29 | S30 | C31 | C32 | 178.2° | 180.0° |
| S30 | C29 | C28 | H6 | 87.1° | 60.0° |
| S30 | C29 | C28 | H7 | 32.4° | 60.0° |
| S30 | C29 | H26 | H27 | 119.3° | 120.0° |
| O05 | C04 | C03 | O34 | 60.4° | 67.1° |
| O05 | C04 | C03 | C01 | 55.4° | 175.0° |
| O05 | C04 | C03 | H11 | 120.1° | 120.0° |
| O05 | C04 | C03 | H12 | 120.1° | 120.0° |
| O05 | C04 | C03 | H10 | 174.8° | 54.0° |
| O05 | C04 | H11 | H12 | 119.7° | 120.0° |
| O34 | C03 | C01 | C04 | 119.2° | 119.5° |
| O34 | C03 | C01 | H10 | 121.9° | 119.5° |
| O34 | C03 | C01 | O02 | 86.9° | 120.7° |
| O34 | C03 | C04 | H10 | 124.8° | 121.1° |
| O34 | C03 | C01 | H8 | 146.4° | 116.8° |
| O34 | C03 | C04 | H11 | 179.5° | 172.9° |
| O34 | C03 | C04 | H12 | 59.7° | 52.9° |
| C03 | O34 | C35 | H31 | 92.6° | 78.4° |
| C03 | C01 | O02 | H8 | 125.2° | 122.6° |
| C01 | C03 | C04 | H10 | 119.4° | 121.0° |
| C03 | C01 | O02 | H9 | 70.1° | 61.5° |
| C01 | C03 | C04 | H11 | 64.7° | 55.0° |
| C01 | C03 | C04 | H12 | 175.4° | 65.0° |
| C03 | C01 | C46 | H36 | 70.5° | 97.3° |
| O02 | C01 | C03 | C04 | 153.9° | 119.8° |
| O02 | C01 | C03 | H10 | 35.0° | 1.3° |
| O02 | C01 | C46 | H36 | 173.6° | 144.0° |
| C04 | C03 | C01 | H8 | 27.2° | 2.7° |
| C03 | C04 | H11 | H12 | 119.7° | 120.0° |
| O33 | C31 | S30 | C32 | 169.7° | 180.0° |
| O33 | C31 | C32 | H28 | 0.0° | 90.0° |
| O33 | C31 | C32 | H29 | 120.0° | 30.0° |
| O33 | C31 | C32 | H30 | 120.0° | 150.0° |
| C31 | S30 | C29 | H26 | 19.9° | 59.9° |
| C31 | S30 | C29 | H27 | 139.4° | 60.0° |
| S30 | C31 | C32 | H28 | 169.8° | 90.0° |
| S30 | C31 | C32 | H29 | 49.7° | 150.0° |
| S30 | C31 | C32 | H30 | 70.2° | 30.0° |
| C31 | C32 | H28 | H29 | 120.0° | 120.0° |
| C31 | C32 | H28 | H30 | 120.0° | 119.9° |
| C31 | C32 | H29 | H30 | 120.0° | 119.9° |
| H1 | C17 | H2 | H3 | 120.0° | 120.0° |
| H4 | C24 | C23 | H23 | 27.7° | 60.0° |
| H4 | C24 | C23 | H24 | 147.0° | 179.9° |
| H5 | C24 | C23 | H23 | 89.4° | 180.0° |
| H5 | C24 | C23 | H24 | 29.9° | 60.1° |
| H6 | C28 | N27 | H25 | 136.2° | 120.0° |
| H6 | C28 | C29 | H26 | 152.6° | 179.9° |
| H6 | C28 | C29 | H27 | 33.1° | 60.0° |
| H7 | C28 | N27 | H25 | 16.7° | 120.0° |
| H7 | C28 | C29 | H26 | 87.8° | 60.0° |
| H7 | C28 | C29 | H27 | 152.6° | 180.0° |
| H8 | C01 | O02 | H9 | 55.1° | 61.1° |
| H8 | C01 | C03 | H10 | 91.7° | 123.7° |
| H8 | C01 | C46 | H36 | 47.2° | 21.5° |
| H10 | C03 | C04 | H11 | 54.7° | 66.0° |
| H10 | C03 | C04 | H12 | 65.2° | 174.0° |
| H17 | C16 | H18 | H19 | 120.0° | 120.0° |
| H20 | C18 | O19 | H21 | 63.4° | 180.0° |
| H22 | N22 | C23 | H23 | 140.1° | 120.0° |
| H22 | N22 | C23 | H24 | 20.9° | 120.0° |
| H28 | C32 | H29 | H30 | 120.0° | 120.0° |
| H31 | C35 | C46 | H36 | 172.1° | 160.3° |
