681
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.43Å | 1.36Å | |
| C1 | C2 | sing | 1.51Å | 1.56Å | |
| C1 | CVA | sing | 1.53Å | 1.54Å | |
| C1 | H11 | sing | 1.09Å | 1.11Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C2 | N1 | doub | 1.30Å | 1.28Å | Aromatic |
| C2 | O2 | sing | 1.34Å | 1.37Å | Aromatic |
| N1 | N2 | sing | 1.29Å | 1.41Å | Aromatic |
| O2 | C3 | sing | 1.34Å | 1.36Å | Aromatic |
| N2 | C3 | doub | 1.30Å | 1.26Å | Aromatic |
| C3 | C4 | sing | 1.51Å | 1.49Å | |
| C4 | C5 | sing | 1.53Å | 1.51Å | |
| C4 | C6 | sing | 1.53Å | 1.51Å | |
| C4 | C7 | sing | 1.53Å | 1.51Å | |
| C5 | H51 | sing | 1.09Å | 1.12Å | |
| C5 | H52 | sing | 1.09Å | 1.11Å | |
| C5 | H53 | sing | 1.09Å | 1.12Å | |
| C6 | H61 | sing | 1.09Å | 1.12Å | |
| C6 | H62 | sing | 1.09Å | 1.12Å | |
| C6 | H63 | sing | 1.09Å | 1.12Å | |
| C7 | H71 | sing | 1.09Å | 1.12Å | |
| C7 | H72 | sing | 1.09Å | 1.12Å | |
| C7 | H73 | sing | 1.09Å | 1.11Å | |
| CVA | CVB | sing | 1.53Å | 1.57Å | |
| CVA | NV | sing | 1.46Å | 1.45Å | |
| CVA | HVA1 | sing | 1.09Å | 1.12Å | |
| CVB | CV1 | sing | 1.53Å | 1.52Å | |
| CVB | CV2 | sing | 1.53Å | 1.52Å | |
| CVB | HVB1 | sing | 1.09Å | 1.11Å | |
| CV1 | HV11 | sing | 1.09Å | 1.11Å | |
| CV1 | HV12 | sing | 1.09Å | 1.11Å | |
| CV1 | HV13 | sing | 1.09Å | 1.12Å | |
| CV2 | HV21 | sing | 1.09Å | 1.11Å | |
| CV2 | HV22 | sing | 1.09Å | 1.12Å | |
| CV2 | HV23 | sing | 1.09Å | 1.11Å | |
| NV | COG | sing | 1.35Å | 1.33Å | |
| NV | HNV1 | sing | 0.97Å | 1.02Å | |
| COG | OCG | doub | 1.21Å | 1.23Å | |
| COG | CAG | sing | 1.51Å | 1.52Å | |
| CAG | N2X | sing | 1.47Å | 1.46Å | |
| CAG | HAG1 | sing | 1.09Å | 1.12Å | |
| CAG | HAG2 | sing | 1.09Å | 1.11Å | |
| N2X | C1X | sing | 1.36Å | 1.41Å | Aromatic |
| N2X | C4X | sing | 1.35Å | 1.35Å | Aromatic |
| C1X | N1X | doub | 1.32Å | 1.29Å | Aromatic |
| C1X | C5X | sing | 1.48Å | 1.51Å | Aromatic |
| N1X | C2X | sing | 1.33Å | 1.38Å | Aromatic |
| C2X | C3X | doub | 1.37Å | 1.38Å | Aromatic |
| C2X | H2X1 | sing | 1.08Å | 1.10Å | |
| C3X | C4X | sing | 1.42Å | 1.44Å | Aromatic |
| C3X | N3X | sing | 1.40Å | 1.37Å | |
| C4X | O1X | doub | 1.22Å | 1.23Å | |
| N3X | H3X1 | sing | 0.97Å | 1.02Å | |
| N3X | H3X2 | sing | 0.97Å | 1.02Å | |
| C5X | C6X | doub | 1.40Å | 1.39Å | Aromatic |
| C5X | C0X | sing | 1.40Å | 1.39Å | Aromatic |
| C6X | C7X | sing | 1.38Å | 1.39Å | Aromatic |
| C6X | H6X1 | sing | 1.08Å | 1.10Å | |
| C7X | C8X | doub | 1.38Å | 1.40Å | Aromatic |
| C7X | H7X1 | sing | 1.08Å | 1.10Å | |
| C8X | C9X | sing | 1.38Å | 1.39Å | Aromatic |
| C8X | H8X1 | sing | 1.08Å | 1.10Å | |
| C9X | C0X | doub | 1.38Å | 1.39Å | Aromatic |
| C9X | H9X1 | sing | 1.08Å | 1.10Å | |
| C0X | H0X1 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 92.1° | 109.4° |
| O1 | C1 | CVA | 93.0° | 109.5° |
| O1 | C1 | H11 | 132.7° | 109.4° |
| C1 | O1 | HO1 | 92.1° | 106.8° |
| C2 | C1 | CVA | 120.5° | 109.5° |
| C2 | C1 | H11 | 109.8° | 109.5° |
| C1 | C2 | N1 | 127.2° | 126.3° |
| C1 | C2 | O2 | 119.3° | 126.3° |
| CVA | C1 | H11 | 109.1° | 109.5° |
| C1 | CVA | CVB | 110.3° | 109.5° |
| C1 | CVA | NV | 107.8° | 109.5° |
| C1 | CVA | HVA1 | 110.1° | 109.4° |
| N1 | C2 | O2 | 110.9° | 107.4° |
| C2 | N1 | N2 | 107.1° | 109.4° |
| C2 | O2 | C3 | 103.2° | 106.4° |
| N1 | N2 | C3 | 106.3° | 109.3° |
| O2 | C3 | N2 | 112.5° | 107.5° |
| O2 | C3 | C4 | 119.3° | 126.3° |
| N2 | C3 | C4 | 128.0° | 126.2° |
| C3 | C4 | C5 | 109.4° | 109.5° |
| C3 | C4 | C6 | 109.2° | 109.4° |
| C3 | C4 | C7 | 109.5° | 109.5° |
| C5 | C4 | C6 | 109.3° | 109.5° |
| C5 | C4 | C7 | 109.9° | 109.5° |
| C4 | C5 | H51 | 109.4° | 109.5° |
| C4 | C5 | H52 | 112.3° | 109.5° |
| C4 | C5 | H53 | 112.2° | 109.5° |
| C6 | C4 | C7 | 109.5° | 109.5° |
| C4 | C6 | H61 | 109.2° | 109.5° |
| C4 | C6 | H62 | 112.3° | 109.5° |
| C4 | C6 | H63 | 112.4° | 109.5° |
| C4 | C7 | H71 | 109.4° | 109.5° |
| C4 | C7 | H72 | 112.2° | 109.5° |
| C4 | C7 | H73 | 112.2° | 109.5° |
| H51 | C5 | H52 | 112.2° | 109.5° |
| H51 | C5 | H53 | 112.2° | 109.5° |
| H52 | C5 | H53 | 98.2° | 109.4° |
| H61 | C6 | H62 | 112.3° | 109.4° |
| H61 | C6 | H63 | 112.3° | 109.5° |
| H62 | C6 | H63 | 98.1° | 109.4° |
| H71 | C7 | H72 | 112.2° | 109.4° |
| H71 | C7 | H73 | 112.2° | 109.4° |
| H72 | C7 | H73 | 98.3° | 109.5° |
| CVB | CVA | NV | 109.6° | 109.5° |
| CVB | CVA | HVA1 | 108.3° | 109.5° |
| CVA | CVB | CV1 | 110.2° | 109.5° |
| CVA | CVB | CV2 | 109.4° | 109.4° |
| CVA | CVB | HVB1 | 108.9° | 109.4° |
| NV | CVA | HVA1 | 110.8° | 109.5° |
| CVA | NV | COG | 116.8° | 120.1° |
| CVA | NV | HNV1 | 125.7° | 120.0° |
| CV1 | CVB | CV2 | 109.4° | 109.5° |
| CV1 | CVB | HVB1 | 109.0° | 109.5° |
| CVB | CV1 | HV11 | 110.2° | 109.5° |
| CVB | CV1 | HV12 | 111.9° | 109.4° |
| CVB | CV1 | HV13 | 111.9° | 109.5° |
| CV2 | CVB | HVB1 | 109.9° | 109.5° |
| CVB | CV2 | HV21 | 109.4° | 109.4° |
| CVB | CV2 | HV22 | 112.2° | 109.5° |
| CVB | CV2 | HV23 | 112.2° | 109.5° |
| HV11 | CV1 | HV12 | 111.9° | 109.5° |
| HV11 | CV1 | HV13 | 112.0° | 109.5° |
| HV12 | CV1 | HV13 | 98.5° | 109.5° |
| HV21 | CV2 | HV22 | 112.2° | 109.5° |
| HV21 | CV2 | HV23 | 112.3° | 109.5° |
| HV22 | CV2 | HV23 | 98.2° | 109.5° |
| COG | NV | HNV1 | 117.5° | 119.9° |
| NV | COG | OCG | 122.8° | 119.9° |
| NV | COG | CAG | 115.8° | 120.1° |
| OCG | COG | CAG | 121.4° | 120.0° |
| COG | CAG | N2X | 112.9° | 109.5° |
| COG | CAG | HAG1 | 110.9° | 109.5° |
| COG | CAG | HAG2 | 111.0° | 109.5° |
| N2X | CAG | HAG1 | 111.0° | 109.5° |
| N2X | CAG | HAG2 | 111.0° | 109.4° |
| CAG | N2X | C1X | 123.0° | 120.2° |
| CAG | N2X | C4X | 112.6° | 120.1° |
| HAG1 | CAG | HAG2 | 99.4° | 109.4° |
| C1X | N2X | C4X | 123.4° | 119.8° |
| N2X | C1X | N1X | 121.4° | 121.3° |
| N2X | C1X | C5X | 119.4° | 119.4° |
| N2X | C4X | C3X | 115.3° | 118.6° |
| N2X | C4X | O1X | 121.0° | 120.7° |
| N1X | C1X | C5X | 119.1° | 119.4° |
| C1X | N1X | C2X | 118.2° | 121.5° |
| C1X | C5X | C6X | 120.3° | 120.2° |
| C1X | C5X | C0X | 120.3° | 120.2° |
| N1X | C2X | C3X | 123.3° | 120.1° |
| N1X | C2X | H2X1 | 118.2° | 119.9° |
| C3X | C2X | H2X1 | 118.5° | 120.0° |
| C2X | C3X | C4X | 118.5° | 118.8° |
| C2X | C3X | N3X | 126.0° | 120.6° |
| C4X | C3X | N3X | 115.3° | 120.6° |
| C3X | C4X | O1X | 123.7° | 120.7° |
| C3X | N3X | H3X1 | 126.0° | 120.0° |
| C3X | N3X | H3X2 | 106.4° | 120.0° |
| H3X1 | N3X | H3X2 | 106.4° | 120.0° |
| C6X | C5X | C0X | 119.3° | 119.7° |
| C5X | C6X | C7X | 120.6° | 119.9° |
| C5X | C6X | H6X1 | 119.8° | 120.0° |
| C5X | C0X | C9X | 120.6° | 119.8° |
| C5X | C0X | H0X1 | 119.7° | 120.1° |
| C7X | C6X | H6X1 | 119.6° | 120.1° |
| C6X | C7X | C8X | 119.9° | 120.1° |
| C6X | C7X | H7X1 | 119.9° | 120.0° |
| C8X | C7X | H7X1 | 120.2° | 119.9° |
| C7X | C8X | C9X | 119.9° | 120.3° |
| C7X | C8X | H8X1 | 120.1° | 119.8° |
| C9X | C8X | H8X1 | 120.0° | 119.8° |
| C8X | C9X | C0X | 119.7° | 120.2° |
| C8X | C9X | H9X1 | 120.1° | 119.9° |
| C0X | C9X | H9X1 | 120.2° | 119.9° |
| C9X | C0X | H0X1 | 119.7° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | CVA | 94.8° | 120.0° |
| O1 | C1 | C2 | H11 | 137.2° | 120.0° |
| O1 | C1 | CVA | H11 | 137.5° | 120.0° |
| O1 | C1 | C2 | N1 | 144.2° | 49.2° |
| O1 | C1 | C2 | O2 | 56.0° | 131.2° |
| O1 | C1 | CVA | CVB | 43.6° | 65.0° |
| O1 | C1 | CVA | NV | 163.2° | 175.0° |
| O1 | C1 | CVA | HVA1 | 75.9° | 55.0° |
| C2 | C1 | CVA | H11 | 128.3° | 120.0° |
| C2 | C1 | O1 | HO1 | 180.0° | 64.4° |
| C1 | C2 | N1 | O2 | 161.2° | 179.7° |
| C1 | C2 | N1 | N2 | 160.9° | 179.8° |
| C1 | C2 | O2 | C3 | 162.6° | 180.0° |
| C2 | C1 | CVA | CVB | 137.8° | 175.0° |
| C2 | C1 | CVA | NV | 102.6° | 55.0° |
| C2 | C1 | CVA | HVA1 | 18.4° | 65.0° |
| CVA | C1 | O1 | HO1 | 59.3° | 55.6° |
| CVA | C1 | C2 | N1 | 121.1° | 70.9° |
| CVA | C1 | C2 | O2 | 38.8° | 108.7° |
| C1 | CVA | CVB | NV | 118.5° | 120.0° |
| C1 | CVA | CVB | HVA1 | 120.5° | 120.0° |
| C1 | CVA | NV | HVA1 | 120.5° | 119.9° |
| C1 | CVA | CVB | CV1 | 68.4° | 54.0° |
| C1 | CVA | CVB | CV2 | 171.2° | 66.0° |
| C1 | CVA | CVB | HVB1 | 51.1° | 174.1° |
| C1 | CVA | NV | COG | 84.9° | 150.0° |
| C1 | CVA | NV | HNV1 | 95.1° | 30.0° |
| H11 | C1 | O1 | HO1 | 60.4° | 175.6° |
| H11 | C1 | C2 | N1 | 6.9° | 169.1° |
| H11 | C1 | C2 | O2 | 166.8° | 11.3° |
| H11 | C1 | CVA | CVB | 93.9° | 55.0° |
| H11 | C1 | CVA | NV | 25.7° | 65.0° |
| H11 | C1 | CVA | HVA1 | 146.7° | 175.0° |
| N1 | C2 | O2 | C3 | 0.3° | 0.4° |
| C2 | N1 | N2 | C3 | 0.2° | 0.5° |
| O2 | C2 | N1 | N2 | 0.3° | 0.5° |
| C2 | O2 | C3 | N2 | 0.2° | 0.1° |
| C2 | O2 | C3 | C4 | 175.9° | 180.0° |
| N1 | N2 | C3 | O2 | 0.0° | 0.2° |
| N1 | N2 | C3 | C4 | 175.2° | 179.7° |
| O2 | C3 | N2 | C4 | 175.2° | 179.9° |
| O2 | C3 | C4 | C5 | 61.1° | 120.1° |
| O2 | C3 | C4 | C6 | 179.2° | 0.1° |
| O2 | C3 | C4 | C7 | 59.4° | 119.9° |
| N2 | C3 | C4 | C5 | 113.8° | 60.0° |
| N2 | C3 | C4 | C6 | 5.9° | 180.0° |
| N2 | C3 | C4 | C7 | 125.7° | 60.0° |
| C3 | C4 | C5 | C6 | 119.5° | 120.0° |
| C3 | C4 | C5 | C7 | 120.3° | 120.0° |
| C3 | C4 | C6 | C7 | 119.8° | 120.0° |
| C3 | C4 | C5 | H51 | 180.0° | 180.0° |
| C3 | C4 | C5 | H52 | 54.7° | 60.0° |
| C3 | C4 | C5 | H53 | 54.8° | 59.9° |
| C3 | C4 | C6 | H61 | 180.0° | 60.0° |
| C3 | C4 | C6 | H62 | 54.7° | 60.0° |
| C3 | C4 | C6 | H63 | 54.8° | 180.0° |
| C3 | C4 | C7 | H71 | 180.0° | 60.0° |
| C3 | C4 | C7 | H72 | 54.8° | 180.0° |
| C3 | C4 | C7 | H73 | 54.8° | 59.9° |
| C5 | C4 | C6 | C7 | 120.5° | 120.0° |
| C4 | C5 | H51 | H52 | 125.3° | 120.0° |
| C4 | C5 | H51 | H53 | 125.2° | 120.0° |
| C4 | C5 | H52 | H53 | 118.2° | 120.0° |
| C5 | C4 | C6 | H61 | 60.3° | 60.0° |
| C5 | C4 | C6 | H62 | 65.0° | 180.0° |
| C5 | C4 | C6 | H63 | 174.5° | 60.0° |
| C5 | C4 | C7 | H71 | 59.8° | 60.0° |
| C5 | C4 | C7 | H72 | 175.0° | 60.0° |
| C5 | C4 | C7 | H73 | 65.5° | 180.0° |
| C6 | C4 | C5 | H51 | 60.4° | 60.0° |
| C6 | C4 | C5 | H52 | 174.3° | 180.0° |
| C6 | C4 | C5 | H53 | 64.8° | 60.0° |
| C4 | C6 | H61 | H62 | 125.3° | 120.0° |
| C4 | C6 | H61 | H63 | 125.3° | 120.1° |
| C4 | C6 | H62 | H63 | 118.3° | 120.0° |
| C6 | C4 | C7 | H71 | 60.3° | 180.0° |
| C6 | C4 | C7 | H72 | 64.9° | 60.0° |
| C6 | C4 | C7 | H73 | 174.4° | 60.0° |
| C7 | C4 | C5 | H51 | 59.8° | 60.0° |
| C7 | C4 | C5 | H52 | 65.5° | 60.0° |
| C7 | C4 | C5 | H53 | 175.0° | 180.0° |
| C7 | C4 | C6 | H61 | 60.2° | 180.0° |
| C7 | C4 | C6 | H62 | 174.6° | 60.0° |
| C7 | C4 | C6 | H63 | 65.1° | 60.0° |
| C4 | C7 | H71 | H72 | 125.2° | 120.1° |
| C4 | C7 | H71 | H73 | 125.2° | 120.0° |
| C4 | C7 | H72 | H73 | 118.2° | 120.0° |
| H51 | C5 | H52 | H53 | 118.1° | 120.0° |
| H61 | C6 | H62 | H63 | 118.2° | 120.0° |
| H71 | C7 | H72 | H73 | 118.2° | 119.9° |
| CVB | CVA | NV | HVA1 | 119.5° | 120.1° |
| CVA | CVB | CV1 | CV2 | 120.3° | 120.0° |
| CVA | CVB | CV1 | HVB1 | 119.5° | 120.0° |
| CVA | CVB | CV2 | HVB1 | 119.5° | 119.9° |
| CVA | CVB | CV1 | HV11 | 180.0° | 179.5° |
| CVA | CVB | CV1 | HV12 | 54.7° | 59.5° |
| CVA | CVB | CV1 | HV13 | 54.7° | 60.5° |
| CVA | CVB | CV2 | HV21 | 180.0° | 70.7° |
| CVA | CVB | CV2 | HV22 | 54.7° | 49.3° |
| CVA | CVB | CV2 | HV23 | 54.7° | 169.3° |
| CVB | CVA | NV | COG | 155.1° | 90.0° |
| CVB | CVA | NV | HNV1 | 25.0° | 90.0° |
| NV | CVA | CVB | CV1 | 50.0° | 66.0° |
| NV | CVA | CVB | CV2 | 70.3° | 174.0° |
| NV | CVA | CVB | HVB1 | 169.6° | 54.0° |
| CVA | NV | COG | HNV1 | 179.9° | 180.0° |
| CVA | NV | COG | OCG | 5.3° | 0.0° |
| CVA | NV | COG | CAG | 176.5° | 180.0° |
| HVA1 | CVA | CVB | CV1 | 171.0° | 174.0° |
| HVA1 | CVA | CVB | CV2 | 50.7° | 54.0° |
| HVA1 | CVA | CVB | HVB1 | 69.4° | 66.0° |
| HVA1 | CVA | NV | COG | 35.6° | 30.0° |
| HVA1 | CVA | NV | HNV1 | 144.5° | 149.9° |
| CV1 | CVB | CV2 | HVB1 | 119.6° | 120.1° |
| CVB | CV1 | HV11 | HV12 | 125.3° | 120.0° |
| CVB | CV1 | HV11 | HV13 | 125.3° | 120.0° |
| CVB | CV1 | HV12 | HV13 | 117.8° | 120.0° |
| CV1 | CVB | CV2 | HV21 | 59.2° | 49.3° |
| CV1 | CVB | CV2 | HV22 | 175.6° | 169.3° |
| CV1 | CVB | CV2 | HV23 | 66.1° | 70.7° |
| CV2 | CVB | CV1 | HV11 | 59.7° | 60.5° |
| CV2 | CVB | CV1 | HV12 | 65.6° | 179.5° |
| CV2 | CVB | CV1 | HV13 | 175.0° | 59.5° |
| CVB | CV2 | HV21 | HV22 | 125.2° | 120.0° |
| CVB | CV2 | HV21 | HV23 | 125.3° | 120.0° |
| CVB | CV2 | HV22 | HV23 | 118.1° | 120.0° |
| HVB1 | CVB | CV1 | HV11 | 60.5° | 59.5° |
| HVB1 | CVB | CV1 | HV12 | 174.3° | 60.5° |
| HVB1 | CVB | CV1 | HV13 | 64.8° | 179.6° |
| HVB1 | CVB | CV2 | HV21 | 60.4° | 169.3° |
| HVB1 | CVB | CV2 | HV22 | 64.8° | 70.6° |
| HVB1 | CVB | CV2 | HV23 | 174.3° | 49.4° |
| HV11 | CV1 | HV12 | HV13 | 117.9° | 120.0° |
| HV21 | CV2 | HV22 | HV23 | 118.2° | 120.0° |
| NV | COG | OCG | CAG | 178.1° | 179.9° |
| NV | COG | CAG | N2X | 133.6° | 179.9° |
| NV | COG | CAG | HAG1 | 101.2° | 60.0° |
| NV | COG | CAG | HAG2 | 8.3° | 60.0° |
| HNV1 | NV | COG | OCG | 174.7° | 180.0° |
| HNV1 | NV | COG | CAG | 3.5° | 0.1° |
| OCG | COG | CAG | N2X | 44.6° | 0.0° |
| OCG | COG | CAG | HAG1 | 80.6° | 120.1° |
| OCG | COG | CAG | HAG2 | 169.9° | 119.9° |
| COG | CAG | N2X | HAG1 | 125.2° | 120.1° |
| COG | CAG | N2X | HAG2 | 125.3° | 120.0° |
| COG | CAG | HAG1 | HAG2 | 116.8° | 120.0° |
| COG | CAG | N2X | C1X | 105.1° | 84.4° |
| COG | CAG | N2X | C4X | 85.7° | 95.9° |
| N2X | CAG | HAG1 | HAG2 | 116.8° | 119.9° |
| CAG | N2X | C1X | C4X | 168.0° | 179.7° |
| CAG | N2X | C1X | N1X | 167.9° | 179.8° |
| CAG | N2X | C1X | C5X | 16.5° | 0.2° |
| CAG | N2X | C4X | C3X | 169.0° | 180.0° |
| CAG | N2X | C4X | O1X | 15.0° | 0.0° |
| HAG1 | CAG | N2X | C1X | 20.1° | 155.6° |
| HAG1 | CAG | N2X | C4X | 149.0° | 24.2° |
| HAG2 | CAG | N2X | C1X | 129.6° | 35.6° |
| HAG2 | CAG | N2X | C4X | 39.5° | 144.1° |
| N2X | C1X | N1X | C5X | 175.6° | 179.5° |
| N2X | C1X | N1X | C2X | 0.1° | 0.5° |
| C1X | N2X | C4X | C3X | 0.1° | 0.2° |
| C1X | N2X | C4X | O1X | 175.9° | 179.7° |
| N2X | C1X | C5X | C6X | 124.4° | 127.7° |
| N2X | C1X | C5X | C0X | 59.8° | 52.5° |
| C4X | N2X | C1X | N1X | 0.1° | 0.5° |
| C4X | N2X | C1X | C5X | 175.5° | 179.9° |
| N2X | C4X | C3X | C2X | 0.0° | 0.1° |
| N2X | C4X | C3X | O1X | 175.8° | 179.9° |
| N2X | C4X | C3X | N3X | 175.1° | 180.0° |
| C1X | N1X | C2X | C3X | 0.0° | 0.2° |
| C1X | N1X | C2X | H2X1 | 180.0° | 179.8° |
| N1X | C1X | C5X | C6X | 59.9° | 51.8° |
| N1X | C1X | C5X | C0X | 115.9° | 128.0° |
| C5X | C1X | N1X | C2X | 175.6° | 179.9° |
| C1X | C5X | C6X | C0X | 175.8° | 179.8° |
| C1X | C5X | C6X | C7X | 175.7° | 180.0° |
| C1X | C5X | C6X | H6X1 | 4.2° | 0.0° |
| C1X | C5X | C0X | C9X | 175.8° | 179.7° |
| C1X | C5X | C0X | H0X1 | 4.2° | 0.2° |
| N1X | C2X | C3X | H2X1 | 180.0° | 180.0° |
| N1X | C2X | C3X | C4X | 0.0° | 0.1° |
| N1X | C2X | C3X | N3X | 174.6° | 180.0° |
| C2X | C3X | C4X | N3X | 175.1° | 179.9° |
| C2X | C3X | C4X | O1X | 175.8° | 180.0° |
| C2X | C3X | N3X | H3X1 | 180.0° | 0.0° |
| C2X | C3X | N3X | H3X2 | 54.7° | 179.9° |
| H2X1 | C2X | C3X | C4X | 180.0° | 180.0° |
| H2X1 | C2X | C3X | N3X | 5.4° | 0.1° |
| C4X | C3X | N3X | H3X1 | 5.3° | 179.9° |
| C4X | C3X | N3X | H3X2 | 120.0° | 0.0° |
| N3X | C3X | C4X | O1X | 9.1° | 0.1° |
| C3X | N3X | H3X1 | H3X2 | 125.3° | 180.0° |
| C5X | C6X | C7X | H6X1 | 180.0° | 180.0° |
| C5X | C6X | C7X | C8X | 0.1° | 0.0° |
| C5X | C6X | C7X | H7X1 | 179.9° | 180.0° |
| C6X | C5X | C0X | C9X | 0.0° | 0.5° |
| C6X | C5X | C0X | H0X1 | 180.0° | 180.0° |
| C0X | C5X | C6X | C7X | 0.1° | 0.2° |
| C0X | C5X | C6X | H6X1 | 180.0° | 179.8° |
| C5X | C0X | C9X | C8X | 0.0° | 0.5° |
| C5X | C0X | C9X | H0X1 | 180.0° | 179.5° |
| C5X | C0X | C9X | H9X1 | 180.0° | 179.7° |
| C6X | C7X | C8X | H7X1 | 180.0° | 180.0° |
| C6X | C7X | C8X | C9X | 0.0° | 0.0° |
| C6X | C7X | C8X | H8X1 | 180.0° | 179.9° |
| H6X1 | C6X | C7X | C8X | 180.0° | 179.9° |
| H6X1 | C6X | C7X | H7X1 | 0.1° | 0.0° |
| C7X | C8X | C9X | H8X1 | 180.0° | 179.9° |
| C7X | C8X | C9X | C0X | 0.0° | 0.3° |
| C7X | C8X | C9X | H9X1 | 180.0° | 180.0° |
| H7X1 | C7X | C8X | C9X | 179.9° | 180.0° |
| H7X1 | C7X | C8X | H8X1 | 0.0° | 0.1° |
| C8X | C9X | C0X | H9X1 | 180.0° | 179.7° |
| C8X | C9X | C0X | H0X1 | 179.9° | 180.0° |
| H8X1 | C8X | C9X | C0X | 180.0° | 179.8° |
| H8X1 | C8X | C9X | H9X1 | 0.0° | 0.1° |
| H9X1 | C9X | C0X | H0X1 | 0.0° | 0.2° |
