A1C9M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N02 | C01 | sing | 1.46Å | 1.52Å | |
| N02 | C03 | sing | 1.35Å | 1.46Å | |
| O23 | S22 | doub | 1.42Å | 1.48Å | |
| C05 | C04 | sing | 1.54Å | 1.33Å | |
| C05 | C06 | sing | 1.55Å | 1.63Å | |
| C04 | C03 | sing | 1.51Å | 1.58Å | |
| C04 | N08 | sing | 1.47Å | 1.56Å | |
| C06 | N21 | sing | 1.46Å | 1.49Å | |
| C06 | C07 | sing | 1.55Å | 1.35Å | |
| C03 | O36 | doub | 1.21Å | 1.19Å | |
| N21 | S22 | sing | 1.66Å | 1.72Å | |
| S22 | O35 | doub | 1.42Å | 1.51Å | |
| S22 | C24 | sing | 1.76Å | 1.81Å | |
| N08 | C07 | sing | 1.47Å | 1.56Å | |
| N08 | C09 | sing | 1.35Å | 1.44Å | |
| O20 | C09 | doub | 1.22Å | 1.21Å | |
| C09 | C10 | sing | 1.48Å | 1.58Å | |
| C25 | C24 | doub | 1.36Å | 1.47Å | Aromatic |
| C25 | C26 | sing | 1.39Å | 1.39Å | Aromatic |
| C24 | C33 | sing | 1.41Å | 1.43Å | Aromatic |
| C26 | C27 | doub | 1.36Å | 1.41Å | Aromatic |
| C10 | C18 | doub | 1.40Å | 1.41Å | Aromatic |
| C10 | C11 | sing | 1.40Å | 1.43Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.50Å | Aromatic |
| C33 | C32 | doub | 1.40Å | 1.46Å | Aromatic |
| C33 | C28 | sing | 1.42Å | 1.39Å | Aromatic |
| C32 | C31 | sing | 1.36Å | 1.38Å | Aromatic |
| C11 | C12 | doub | 1.36Å | 1.52Å | Aromatic |
| C27 | C28 | sing | 1.41Å | 1.49Å | Aromatic |
| C27 | F34 | sing | 1.35Å | 1.32Å | |
| C17 | O16 | sing | 1.35Å | 1.30Å | Aromatic |
| C17 | C13 | doub | 1.40Å | 1.40Å | Aromatic |
| O16 | C15 | sing | 1.34Å | 1.35Å | Aromatic |
| C28 | C29 | doub | 1.40Å | 1.43Å | Aromatic |
| C31 | C30 | doub | 1.39Å | 1.43Å | Aromatic |
| C12 | C13 | sing | 1.40Å | 1.44Å | Aromatic |
| C13 | N14 | sing | 1.36Å | 1.39Å | Aromatic |
| C15 | N14 | doub | 1.30Å | 1.34Å | Aromatic |
| C15 | C19 | sing | 1.51Å | 1.52Å | |
| C29 | C30 | sing | 1.36Å | 1.42Å | Aromatic |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H193 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| C29 | H291 | sing | 1.08Å | 1.08Å | |
| C30 | H301 | sing | 1.08Å | 1.08Å | |
| C31 | H311 | sing | 1.08Å | 1.08Å | |
| C32 | H321 | sing | 1.08Å | 1.08Å | |
| N02 | H021 | sing | 0.97Å | 1.00Å | |
| N21 | H211 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | N02 | C03 | 117.0° | 120.0° |
| N02 | C01 | H011 | 109.5° | 109.5° |
| N02 | C01 | H013 | 109.5° | 109.5° |
| N02 | C01 | H012 | 109.5° | 109.5° |
| C01 | N02 | H021 | 121.5° | 120.0° |
| N02 | C03 | C04 | 118.5° | 120.0° |
| N02 | C03 | O36 | 120.1° | 120.0° |
| C03 | N02 | H021 | 121.5° | 120.0° |
| O23 | S22 | N21 | 108.4° | 106.4° |
| O23 | S22 | O35 | 112.9° | 123.2° |
| O23 | S22 | C24 | 112.0° | 106.4° |
| C04 | C05 | C06 | 102.5° | 102.9° |
| C05 | C04 | C03 | 116.3° | 109.9° |
| C05 | C04 | N08 | 108.0° | 107.3° |
| C05 | C04 | H041 | 112.3° | 110.0° |
| C04 | C05 | H052 | 111.2° | 110.7° |
| C04 | C05 | H051 | 111.2° | 110.7° |
| C05 | C06 | N21 | 107.1° | 111.0° |
| C05 | C06 | C07 | 109.0° | 101.6° |
| C06 | C05 | H052 | 111.2° | 110.7° |
| C06 | C05 | H051 | 111.2° | 110.7° |
| C05 | C06 | H061 | 108.6° | 111.0° |
| C03 | C04 | N08 | 102.1° | 109.9° |
| C04 | C03 | O36 | 121.4° | 120.0° |
| C03 | C04 | H041 | 108.6° | 109.8° |
| C04 | N08 | C07 | 106.5° | 108.7° |
| C04 | N08 | C09 | 123.9° | 125.7° |
| N08 | C04 | H041 | 108.8° | 109.9° |
| N21 | C06 | C07 | 109.3° | 111.0° |
| C06 | N21 | S22 | 114.5° | 120.0° |
| N21 | C06 | H061 | 110.3° | 110.9° |
| C06 | N21 | H211 | 108.2° | 120.0° |
| C06 | C07 | N08 | 99.7° | 104.8° |
| C07 | C06 | H061 | 112.5° | 111.1° |
| C06 | C07 | H071 | 111.9° | 110.4° |
| C06 | C07 | H072 | 111.9° | 110.3° |
| N21 | S22 | O35 | 106.6° | 106.4° |
| N21 | S22 | C24 | 108.6° | 107.2° |
| S22 | N21 | H211 | 108.2° | 120.0° |
| O35 | S22 | C24 | 108.2° | 106.4° |
| S22 | C24 | C25 | 118.5° | 120.1° |
| S22 | C24 | C33 | 118.2° | 120.1° |
| C07 | N08 | C09 | 129.7° | 125.6° |
| N08 | C07 | H071 | 111.8° | 110.4° |
| N08 | C07 | H072 | 111.9° | 110.4° |
| N08 | C09 | O20 | 120.2° | 120.0° |
| N08 | C09 | C10 | 119.0° | 120.0° |
| O20 | C09 | C10 | 120.8° | 120.0° |
| C09 | C10 | C18 | 116.3° | 119.9° |
| C09 | C10 | C11 | 122.8° | 120.0° |
| C24 | C25 | C26 | 118.4° | 121.0° |
| C25 | C24 | C33 | 123.2° | 119.7° |
| C24 | C25 | H251 | 120.8° | 119.5° |
| C25 | C26 | C27 | 119.4° | 120.9° |
| C26 | C25 | H251 | 120.8° | 119.5° |
| C25 | C26 | H261 | 120.3° | 119.5° |
| C24 | C33 | C32 | 121.1° | 121.3° |
| C24 | C33 | C28 | 118.1° | 119.3° |
| C26 | C27 | C28 | 122.2° | 119.6° |
| C26 | C27 | F34 | 117.8° | 120.2° |
| C27 | C26 | H261 | 120.3° | 119.5° |
| C18 | C10 | C11 | 120.9° | 120.1° |
| C10 | C18 | C17 | 119.9° | 119.6° |
| C10 | C18 | H181 | 120.1° | 120.1° |
| C10 | C11 | C12 | 119.0° | 120.4° |
| C10 | C11 | H111 | 120.5° | 119.7° |
| C18 | C17 | O16 | 130.7° | 133.8° |
| C18 | C17 | C13 | 120.7° | 119.9° |
| C17 | C18 | H181 | 120.1° | 120.3° |
| C32 | C33 | C28 | 120.8° | 119.4° |
| C33 | C32 | C31 | 119.5° | 119.6° |
| C33 | C32 | H321 | 120.2° | 120.2° |
| C33 | C28 | C27 | 118.6° | 119.4° |
| C33 | C28 | C29 | 119.0° | 119.4° |
| C32 | C31 | C30 | 120.3° | 121.0° |
| C32 | C31 | H311 | 119.9° | 119.5° |
| C31 | C32 | H321 | 120.3° | 120.2° |
| C11 | C12 | C13 | 119.2° | 120.1° |
| C12 | C11 | H111 | 120.6° | 119.9° |
| C11 | C12 | H121 | 120.4° | 120.0° |
| C28 | C27 | F34 | 120.1° | 120.2° |
| C27 | C28 | C29 | 122.4° | 121.3° |
| O16 | C17 | C13 | 108.6° | 106.2° |
| C17 | O16 | C15 | 110.5° | 108.1° |
| C17 | C13 | C12 | 120.4° | 119.9° |
| C17 | C13 | N14 | 104.6° | 106.5° |
| O16 | C15 | N14 | 107.4° | 110.4° |
| O16 | C15 | C19 | 126.7° | 124.8° |
| C28 | C29 | C30 | 120.6° | 119.6° |
| C28 | C29 | H291 | 119.7° | 120.1° |
| C31 | C30 | C29 | 119.8° | 121.0° |
| C31 | C30 | H301 | 120.1° | 119.5° |
| C30 | C31 | H311 | 119.9° | 119.5° |
| C12 | C13 | N14 | 135.1° | 133.6° |
| C13 | C12 | H121 | 120.4° | 120.0° |
| C13 | N14 | C15 | 108.8° | 108.8° |
| N14 | C15 | C19 | 125.8° | 124.8° |
| C15 | C19 | H192 | 109.5° | 109.5° |
| C15 | C19 | H191 | 109.4° | 109.5° |
| C15 | C19 | H193 | 109.5° | 109.5° |
| C30 | C29 | H291 | 119.7° | 120.2° |
| C29 | C30 | H301 | 120.1° | 119.5° |
| H011 | C01 | H013 | 109.5° | 109.5° |
| H011 | C01 | H012 | 109.5° | 109.5° |
| H013 | C01 | H012 | 109.5° | 109.4° |
| H052 | C05 | H051 | 109.5° | 110.8° |
| H071 | C07 | H072 | 109.5° | 110.4° |
| H192 | C19 | H191 | 109.5° | 109.4° |
| H192 | C19 | H193 | 109.5° | 109.4° |
| H191 | C19 | H193 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | N02 | C03 | H021 | 180.0° | 180.0° |
| C01 | N02 | C03 | C04 | 176.7° | 180.0° |
| C01 | N02 | C03 | O36 | 2.9° | 0.0° |
| N02 | C01 | H011 | H013 | 120.0° | 120.0° |
| N02 | C01 | H011 | H012 | 120.0° | 120.1° |
| N02 | C01 | H013 | H012 | 120.0° | 120.0° |
| N02 | C03 | C04 | C05 | 105.3° | 80.7° |
| N02 | C03 | C04 | O36 | 179.7° | 180.0° |
| N02 | C03 | C04 | N08 | 137.4° | 161.4° |
| C03 | N02 | C01 | H011 | 180.0° | 180.0° |
| C03 | N02 | C01 | H013 | 60.0° | 59.9° |
| C03 | N02 | C01 | H012 | 60.0° | 60.0° |
| N02 | C03 | C04 | H041 | 22.5° | 40.5° |
| O23 | S22 | N21 | C06 | 63.8° | 48.5° |
| O23 | S22 | N21 | O35 | 121.8° | 132.9° |
| O23 | S22 | N21 | C24 | 122.0° | 113.6° |
| O23 | S22 | O35 | C24 | 124.5° | 123.0° |
| O23 | S22 | C24 | C25 | 4.6° | 2.7° |
| O23 | S22 | C24 | C33 | 178.6° | 177.0° |
| O23 | S22 | N21 | H211 | 175.5° | 131.5° |
| C04 | C05 | C06 | H052 | 118.9° | 118.3° |
| C04 | C05 | C06 | H051 | 118.9° | 118.4° |
| C05 | C04 | C03 | N08 | 117.3° | 117.8° |
| C05 | C04 | C03 | H041 | 127.8° | 121.2° |
| C05 | C04 | N08 | H041 | 122.2° | 119.6° |
| C04 | C05 | C06 | N21 | 156.4° | 153.6° |
| C04 | C05 | C06 | C07 | 38.2° | 35.5° |
| C05 | C04 | C03 | O36 | 75.0° | 99.3° |
| C05 | C04 | N08 | C07 | 0.9° | 1.1° |
| C05 | C04 | N08 | C09 | 179.7° | 178.8° |
| C04 | C05 | H052 | H051 | 123.2° | 123.2° |
| C04 | C05 | C06 | H061 | 84.6° | 82.6° |
| C06 | C05 | C04 | C03 | 132.9° | 141.6° |
| C06 | C05 | C04 | N08 | 18.9° | 22.2° |
| C05 | C06 | N21 | C07 | 117.9° | 112.2° |
| C05 | C06 | N21 | H061 | 118.0° | 123.8° |
| C05 | C06 | C07 | H061 | 120.4° | 118.1° |
| C05 | C06 | N21 | S22 | 155.1° | 143.5° |
| C05 | C06 | C07 | N08 | 36.2° | 37.0° |
| C06 | C05 | C04 | H041 | 101.1° | 97.3° |
| C06 | C05 | H052 | H051 | 123.2° | 123.3° |
| C05 | C06 | C07 | H071 | 82.2° | 81.8° |
| C05 | C06 | C07 | H072 | 154.6° | 155.9° |
| C05 | C06 | N21 | H211 | 84.2° | 36.5° |
| C03 | C04 | N08 | H041 | 114.7° | 121.0° |
| C03 | C04 | N08 | C07 | 122.2° | 118.4° |
| C03 | C04 | N08 | C09 | 57.2° | 61.7° |
| C03 | C04 | C05 | H052 | 14.0° | 23.3° |
| C03 | C04 | C05 | H051 | 108.2° | 100.0° |
| C04 | C03 | N02 | H021 | 3.3° | 0.0° |
| C04 | N08 | C07 | C06 | 24.3° | 24.1° |
| N08 | C04 | C03 | O36 | 42.3° | 18.5° |
| C04 | N08 | C07 | C09 | 179.3° | 179.9° |
| C04 | N08 | C09 | O20 | 0.9° | 3.8° |
| C04 | N08 | C09 | C10 | 178.0° | 176.3° |
| N08 | C04 | C05 | H052 | 100.0° | 96.2° |
| N08 | C04 | C05 | H051 | 137.8° | 140.6° |
| C04 | N08 | C07 | H071 | 94.1° | 94.7° |
| C04 | N08 | C07 | H072 | 142.7° | 143.0° |
| N21 | C06 | C07 | H061 | 122.8° | 123.9° |
| C06 | N21 | S22 | H211 | 120.7° | 180.0° |
| C06 | N21 | S22 | O35 | 174.4° | 178.5° |
| C06 | N21 | S22 | C24 | 58.1° | 65.0° |
| N21 | C06 | C07 | N08 | 152.9° | 155.0° |
| N21 | C06 | C05 | H052 | 37.5° | 35.2° |
| N21 | C06 | C05 | H051 | 84.8° | 88.1° |
| N21 | C06 | C07 | H071 | 34.6° | 36.2° |
| N21 | C06 | C07 | H072 | 88.6° | 86.1° |
| C07 | C06 | N21 | S22 | 87.0° | 104.4° |
| C06 | C07 | N08 | H071 | 118.4° | 118.9° |
| C06 | C07 | N08 | H072 | 118.4° | 118.8° |
| C06 | C07 | N08 | C09 | 156.4° | 155.8° |
| C07 | C06 | C05 | H052 | 80.7° | 82.8° |
| C07 | C06 | C05 | H051 | 157.1° | 153.9° |
| C06 | C07 | H071 | H072 | 124.6° | 122.2° |
| C07 | C06 | N21 | H211 | 33.7° | 75.6° |
| O36 | C03 | C04 | H041 | 157.2° | 139.5° |
| O36 | C03 | N02 | H021 | 177.1° | 180.0° |
| N21 | S22 | O35 | C24 | 116.6° | 114.1° |
| N21 | S22 | C24 | C25 | 115.1° | 116.2° |
| N21 | S22 | C24 | C33 | 61.7° | 63.4° |
| S22 | N21 | C06 | H061 | 37.1° | 19.6° |
| O35 | S22 | C24 | C25 | 129.6° | 130.2° |
| O35 | S22 | C24 | C33 | 53.6° | 50.1° |
| O35 | S22 | N21 | H211 | 53.7° | 1.4° |
| S22 | C24 | C25 | C33 | 176.6° | 179.7° |
| S22 | C24 | C25 | C26 | 178.5° | 179.7° |
| S22 | C24 | C33 | C32 | 0.9° | 0.3° |
| S22 | C24 | C33 | C28 | 177.6° | 179.7° |
| S22 | C24 | C25 | H251 | 1.5° | 0.4° |
| C24 | S22 | N21 | H211 | 62.6° | 115.0° |
| C07 | N08 | C09 | O20 | 178.4° | 176.3° |
| C07 | N08 | C09 | C10 | 1.2° | 3.6° |
| C07 | N08 | C04 | H041 | 123.1° | 120.7° |
| N08 | C07 | C06 | H061 | 84.2° | 81.0° |
| N08 | C07 | H071 | H072 | 124.6° | 122.4° |
| N08 | C09 | O20 | C10 | 177.1° | 179.9° |
| N08 | C09 | C10 | C18 | 146.5° | 151.9° |
| N08 | C09 | C10 | C11 | 33.4° | 27.8° |
| C09 | N08 | C04 | H041 | 57.5° | 59.2° |
| C09 | N08 | C07 | H071 | 85.2° | 85.4° |
| C09 | N08 | C07 | H072 | 38.0° | 37.0° |
| O20 | C09 | C10 | C18 | 36.4° | 28.2° |
| O20 | C09 | C10 | C11 | 143.7° | 152.1° |
| C09 | C10 | C18 | C11 | 179.9° | 179.7° |
| C09 | C10 | C18 | C17 | 179.3° | 179.7° |
| C09 | C10 | C11 | C12 | 178.6° | 180.0° |
| C09 | C10 | C11 | H111 | 1.4° | 0.0° |
| C09 | C10 | C18 | H181 | 0.7° | 0.0° |
| C24 | C25 | C26 | H251 | 180.0° | 179.9° |
| C24 | C25 | C26 | C27 | 1.6° | 0.0° |
| C25 | C24 | C33 | C32 | 177.5° | 179.9° |
| C25 | C24 | C33 | C28 | 1.0° | 0.0° |
| C24 | C25 | C26 | H261 | 178.4° | 179.9° |
| C26 | C25 | C24 | C33 | 1.9° | 0.1° |
| C25 | C26 | C27 | H261 | 180.0° | 179.9° |
| C25 | C26 | C27 | C28 | 0.6° | 0.0° |
| C25 | C26 | C27 | F34 | 179.6° | 179.9° |
| C24 | C33 | C32 | C28 | 178.4° | 179.9° |
| C24 | C33 | C32 | C31 | 179.6° | 180.0° |
| C24 | C33 | C28 | C27 | 0.2° | 0.1° |
| C24 | C33 | C28 | C29 | 180.0° | 180.0° |
| C33 | C24 | C25 | H251 | 178.1° | 180.0° |
| C24 | C33 | C32 | H321 | 0.3° | 0.0° |
| C26 | C27 | C28 | C33 | 0.4° | 0.1° |
| C26 | C27 | C28 | F34 | 179.8° | 180.0° |
| C26 | C27 | C28 | C29 | 179.8° | 180.0° |
| C27 | C26 | C25 | H251 | 178.4° | 179.9° |
| C10 | C18 | C17 | H181 | 180.0° | 179.7° |
| C18 | C10 | C11 | C12 | 1.5° | 0.3° |
| C10 | C18 | C17 | O16 | 178.7° | 179.8° |
| C10 | C18 | C17 | C13 | 0.8° | 0.6° |
| C18 | C10 | C11 | H111 | 178.5° | 179.7° |
| C11 | C10 | C18 | C17 | 0.8° | 0.6° |
| C10 | C11 | C12 | H111 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.7° | 0.0° |
| C10 | C11 | C12 | H121 | 179.2° | 179.9° |
| C11 | C10 | C18 | H181 | 179.2° | 179.8° |
| C18 | C17 | O16 | C13 | 178.1° | 179.7° |
| C18 | C17 | O16 | C15 | 177.3° | 179.7° |
| C18 | C17 | C13 | C12 | 1.5° | 0.3° |
| C18 | C17 | C13 | N14 | 178.1° | 179.7° |
| C33 | C32 | C31 | H321 | 180.0° | 179.9° |
| C32 | C33 | C28 | C27 | 178.6° | 180.0° |
| C32 | C33 | C28 | C29 | 1.6° | 0.1° |
| C33 | C32 | C31 | C30 | 0.5° | 0.0° |
| C33 | C32 | C31 | H311 | 179.5° | 180.0° |
| C28 | C33 | C32 | C31 | 1.2° | 0.1° |
| C33 | C28 | C27 | C29 | 179.8° | 179.9° |
| C33 | C28 | C27 | F34 | 179.4° | 179.9° |
| C33 | C28 | C29 | C30 | 1.2° | 0.1° |
| C33 | C28 | C29 | H291 | 178.8° | 179.9° |
| C28 | C33 | C32 | H321 | 178.7° | 180.0° |
| C32 | C31 | C30 | H311 | 180.0° | 180.0° |
| C32 | C31 | C30 | C29 | 0.1° | 0.0° |
| C32 | C31 | C30 | H301 | 179.9° | 179.9° |
| C11 | C12 | C13 | C17 | 0.8° | 0.0° |
| C11 | C12 | C13 | H121 | 180.0° | 179.9° |
| C11 | C12 | C13 | N14 | 178.7° | 180.0° |
| C27 | C28 | C29 | C30 | 179.0° | 180.0° |
| C28 | C27 | C26 | H261 | 179.5° | 180.0° |
| C27 | C28 | C29 | H291 | 1.0° | 0.0° |
| F34 | C27 | C28 | C29 | 0.4° | 0.0° |
| F34 | C27 | C26 | H261 | 0.3° | 0.0° |
| O16 | C17 | C13 | C12 | 179.9° | 180.0° |
| O16 | C17 | C13 | N14 | 0.2° | 0.0° |
| C17 | O16 | C15 | N14 | 1.0° | 0.0° |
| C17 | O16 | C15 | C19 | 177.1° | 179.9° |
| O16 | C17 | C18 | H181 | 1.3° | 0.2° |
| C13 | C17 | O16 | C15 | 0.8° | 0.0° |
| C17 | C13 | C12 | N14 | 179.5° | 180.0° |
| C17 | C13 | N14 | C15 | 0.4° | 0.0° |
| C17 | C13 | C12 | H121 | 179.2° | 180.0° |
| C13 | C17 | C18 | H181 | 179.2° | 179.8° |
| O16 | C15 | N14 | C13 | 0.9° | 0.0° |
| O16 | C15 | N14 | C19 | 176.1° | 180.0° |
| O16 | C15 | C19 | H192 | 0.0° | 90.0° |
| O16 | C15 | C19 | H191 | 120.0° | 30.0° |
| O16 | C15 | C19 | H193 | 120.0° | 150.0° |
| C28 | C29 | C30 | C31 | 0.5° | 0.0° |
| C28 | C29 | C30 | H291 | 180.0° | 180.0° |
| C28 | C29 | C30 | H301 | 179.5° | 180.0° |
| C31 | C30 | C29 | H301 | 180.0° | 179.9° |
| C31 | C30 | C29 | H291 | 179.5° | 180.0° |
| C30 | C31 | C32 | H321 | 179.5° | 180.0° |
| C12 | C13 | N14 | C15 | 179.2° | 180.0° |
| C13 | C12 | C11 | H111 | 179.3° | 180.0° |
| C13 | N14 | C15 | C19 | 177.0° | 179.9° |
| N14 | C13 | C12 | H121 | 1.2° | 0.0° |
| N14 | C15 | C19 | H192 | 175.4° | 90.0° |
| N14 | C15 | C19 | H191 | 64.6° | 150.0° |
| N14 | C15 | C19 | H193 | 55.4° | 29.9° |
| C15 | C19 | H192 | H191 | 120.0° | 120.1° |
| C15 | C19 | H192 | H193 | 120.0° | 120.0° |
| C15 | C19 | H191 | H193 | 120.0° | 120.1° |
| C29 | C30 | C31 | H311 | 179.8° | 180.0° |
| H011 | C01 | H013 | H012 | 120.0° | 120.0° |
| H011 | C01 | N02 | H021 | 0.0° | 0.0° |
| H013 | C01 | N02 | H021 | 120.0° | 120.1° |
| H012 | C01 | N02 | H021 | 120.0° | 120.0° |
| H041 | C04 | C05 | H052 | 140.0° | 144.3° |
| H041 | C04 | C05 | H051 | 17.8° | 21.1° |
| H052 | C05 | C06 | H061 | 156.6° | 159.1° |
| H051 | C05 | C06 | H061 | 34.3° | 35.8° |
| H061 | C06 | C07 | H071 | 157.4° | 160.1° |
| H061 | C06 | C07 | H072 | 34.2° | 37.8° |
| H061 | C06 | N21 | H211 | 157.8° | 160.4° |
| H111 | C11 | C12 | H121 | 0.7° | 0.0° |
| H192 | C19 | H191 | H193 | 120.0° | 119.9° |
| H251 | C25 | C26 | H261 | 1.6° | 0.0° |
| H291 | C29 | C30 | H301 | 0.5° | 0.1° |
| H301 | C30 | C31 | H311 | 0.1° | 0.1° |
| H311 | C31 | C32 | H321 | 0.5° | 0.0° |
