7YV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | C16 | sing | 1.51Å | 1.48Å | |
| C16 | C14 | doub | 1.38Å | 1.34Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.36Å | Aromatic |
| C14 | C12 | sing | 1.38Å | 1.35Å | Aromatic |
| C15 | C13 | doub | 1.38Å | 1.35Å | Aromatic |
| C12 | C17 | sing | 1.51Å | 1.50Å | |
| C12 | C11 | doub | 1.39Å | 1.33Å | Aromatic |
| C13 | C11 | sing | 1.39Å | 1.32Å | Aromatic |
| C13 | C18 | sing | 1.51Å | 1.49Å | |
| C11 | N02 | sing | 1.40Å | 1.39Å | |
| N02 | C10 | sing | 1.35Å | 1.41Å | |
| C08 | C03 | sing | 1.56Å | 1.55Å | |
| C08 | C09 | sing | 1.55Å | 1.66Å | |
| C10 | C06 | sing | 1.51Å | 1.44Å | |
| C10 | O01 | doub | 1.21Å | 1.17Å | |
| C06 | C03 | sing | 1.56Å | 1.44Å | |
| C06 | C07 | sing | 1.55Å | 1.54Å | |
| C03 | C05 | sing | 1.57Å | 1.30Å | |
| C09 | C04 | sing | 1.58Å | 1.48Å | |
| C05 | C04 | sing | 1.57Å | 1.30Å | |
| C07 | C04 | sing | 1.56Å | 1.54Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H173 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| N02 | H021 | sing | 0.97Å | 1.00Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | 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 | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H183 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H193 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | C16 | C14 | 117.0° | 119.9° |
| C19 | C16 | C15 | 120.1° | 119.9° |
| C16 | C19 | H191 | 109.5° | 109.5° |
| C16 | C19 | H192 | 109.5° | 109.5° |
| C16 | C19 | H193 | 109.5° | 109.5° |
| C14 | C16 | C15 | 122.9° | 120.1° |
| C16 | C14 | C12 | 118.9° | 120.0° |
| C16 | C14 | H141 | 120.5° | 120.0° |
| C16 | C15 | C13 | 116.9° | 120.1° |
| C16 | C15 | H151 | 121.5° | 119.9° |
| C14 | C12 | C17 | 123.3° | 120.0° |
| C14 | C12 | C11 | 118.1° | 120.0° |
| C12 | C14 | H141 | 120.6° | 120.0° |
| C15 | C13 | C11 | 119.6° | 119.9° |
| C15 | C13 | C18 | 124.5° | 120.0° |
| C13 | C15 | H151 | 121.5° | 120.0° |
| C17 | C12 | C11 | 118.6° | 120.0° |
| C12 | C17 | H172 | 109.5° | 109.5° |
| C12 | C17 | H173 | 109.5° | 109.4° |
| C12 | C17 | H171 | 109.5° | 109.5° |
| C12 | C11 | C13 | 123.6° | 119.8° |
| C12 | C11 | N02 | 119.8° | 120.1° |
| C11 | C13 | C18 | 115.9° | 120.1° |
| C13 | C11 | N02 | 116.6° | 120.1° |
| C13 | C18 | H181 | 109.5° | 109.5° |
| C13 | C18 | H182 | 109.4° | 109.5° |
| C13 | C18 | H183 | 109.4° | 109.5° |
| C11 | N02 | C10 | 120.6° | 120.0° |
| C11 | N02 | H021 | 119.7° | 120.0° |
| N02 | C10 | C06 | 110.2° | 120.0° |
| N02 | C10 | O01 | 122.9° | 120.0° |
| C10 | N02 | H021 | 119.7° | 119.9° |
| C03 | C08 | C09 | 92.7° | 104.7° |
| C08 | C03 | C06 | 108.3° | 105.2° |
| C08 | C03 | C05 | 102.0° | 100.6° |
| C08 | C03 | H031 | 111.3° | 115.9° |
| C03 | C08 | H082 | 113.5° | 110.4° |
| C03 | C08 | H081 | 113.5° | 110.5° |
| C08 | C09 | C04 | 101.3° | 104.5° |
| C09 | C08 | H082 | 113.5° | 110.3° |
| C09 | C08 | H081 | 113.5° | 110.4° |
| C08 | C09 | H091 | 111.5° | 110.4° |
| C08 | C09 | H092 | 111.5° | 110.4° |
| C06 | C10 | O01 | 126.9° | 120.0° |
| C10 | C06 | C03 | 103.9° | 110.4° |
| C10 | C06 | C07 | 112.6° | 110.4° |
| C10 | C06 | H061 | 112.4° | 110.4° |
| C03 | C06 | C07 | 104.3° | 104.6° |
| C06 | C03 | C05 | 106.2° | 100.7° |
| C06 | C03 | H031 | 112.8° | 115.9° |
| C03 | C06 | H061 | 112.4° | 110.4° |
| C06 | C07 | C04 | 94.6° | 104.7° |
| C07 | C06 | H061 | 110.9° | 110.5° |
| C06 | C07 | H071 | 113.1° | 110.4° |
| C06 | C07 | H072 | 113.1° | 110.4° |
| C03 | C05 | C04 | 102.4° | 96.1° |
| C05 | C03 | H031 | 115.4° | 116.3° |
| C03 | C05 | H051 | 111.2° | 112.0° |
| C03 | C05 | H052 | 111.2° | 112.0° |
| C09 | C04 | C05 | 100.6° | 99.9° |
| C09 | C04 | C07 | 106.0° | 105.3° |
| C09 | C04 | H041 | 112.9° | 115.8° |
| C04 | C09 | H091 | 111.5° | 110.1° |
| C04 | C09 | H092 | 111.5° | 110.8° |
| C05 | C04 | C07 | 108.3° | 100.7° |
| C05 | C04 | H041 | 116.2° | 116.2° |
| C04 | C05 | H051 | 111.2° | 112.0° |
| C04 | C05 | H052 | 111.2° | 112.1° |
| C07 | C04 | H041 | 111.8° | 116.6° |
| C04 | C07 | H071 | 113.0° | 110.4° |
| C04 | C07 | H072 | 113.1° | 110.4° |
| H172 | C17 | H173 | 109.5° | 109.5° |
| H172 | C17 | H171 | 109.5° | 109.5° |
| H173 | C17 | H171 | 109.5° | 109.5° |
| H051 | C05 | H052 | 109.4° | 111.7° |
| H071 | C07 | H072 | 109.4° | 110.4° |
| H082 | C08 | H081 | 109.5° | 110.5° |
| H091 | C09 | H092 | 109.5° | 110.5° |
| H181 | C18 | H182 | 109.5° | 109.4° |
| H181 | C18 | H183 | 109.5° | 109.5° |
| H182 | C18 | H183 | 109.5° | 109.5° |
| H191 | C19 | H192 | 109.4° | 109.5° |
| H191 | C19 | H193 | 109.5° | 109.5° |
| H192 | C19 | H193 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | C16 | C14 | C15 | 179.5° | 179.2° |
| C19 | C16 | C14 | C12 | 179.7° | 180.0° |
| C19 | C16 | C15 | C13 | 179.6° | 179.7° |
| C19 | C16 | C15 | H151 | 0.4° | 0.3° |
| C19 | C16 | C14 | H141 | 0.3° | 0.5° |
| C16 | C19 | H191 | H192 | 120.0° | 120.0° |
| C16 | C19 | H191 | H193 | 120.0° | 120.0° |
| C16 | C19 | H192 | H193 | 120.0° | 120.0° |
| C16 | C14 | C12 | H141 | 180.0° | 179.5° |
| C14 | C16 | C15 | C13 | 0.1° | 0.5° |
| C16 | C14 | C12 | C17 | 179.6° | 179.5° |
| C16 | C14 | C12 | C11 | 0.2° | 0.5° |
| C14 | C16 | C15 | H151 | 179.9° | 179.4° |
| C14 | C16 | C19 | H191 | 89.8° | 90.0° |
| C14 | C16 | C19 | H192 | 150.3° | 150.0° |
| C14 | C16 | C19 | H193 | 30.2° | 30.0° |
| C15 | C16 | C14 | C12 | 0.2° | 0.8° |
| C16 | C15 | C13 | H151 | 180.0° | 180.0° |
| C16 | C15 | C13 | C11 | 0.4° | 0.0° |
| C16 | C15 | C13 | C18 | 179.2° | 179.7° |
| C15 | C16 | C14 | H141 | 179.8° | 179.7° |
| C15 | C16 | C19 | H191 | 89.7° | 89.1° |
| C15 | C16 | C19 | H192 | 30.2° | 30.8° |
| C15 | C16 | C19 | H193 | 150.2° | 150.8° |
| C14 | C12 | C17 | C11 | 179.4° | 180.0° |
| C14 | C12 | C11 | C13 | 0.8° | 0.0° |
| C14 | C12 | C11 | N02 | 179.6° | 180.0° |
| C14 | C12 | C17 | H172 | 89.7° | 82.1° |
| C14 | C12 | C17 | H173 | 150.4° | 37.8° |
| C14 | C12 | C17 | H171 | 30.4° | 157.8° |
| C15 | C13 | C11 | C12 | 0.9° | 0.3° |
| C15 | C13 | C11 | C18 | 178.9° | 179.7° |
| C15 | C13 | C11 | N02 | 179.7° | 179.8° |
| C15 | C13 | C18 | H181 | 90.7° | 89.7° |
| C15 | C13 | C18 | H182 | 149.3° | 30.2° |
| C15 | C13 | C18 | H183 | 29.3° | 150.3° |
| C17 | C12 | C11 | C13 | 179.8° | 180.0° |
| C17 | C12 | C11 | N02 | 1.0° | 0.0° |
| C12 | C17 | H172 | H173 | 120.0° | 119.9° |
| C12 | C17 | H172 | H171 | 120.0° | 120.1° |
| C12 | C17 | H173 | H171 | 120.0° | 120.0° |
| C17 | C12 | C14 | H141 | 0.4° | 0.0° |
| C12 | C11 | C13 | N02 | 178.9° | 180.0° |
| C12 | C11 | C13 | C18 | 179.7° | 180.0° |
| C12 | C11 | N02 | C10 | 68.5° | 52.3° |
| C11 | C12 | C17 | H172 | 89.7° | 97.9° |
| C11 | C12 | C17 | H173 | 30.3° | 142.1° |
| C11 | C12 | C17 | H171 | 150.3° | 22.2° |
| C12 | C11 | N02 | H021 | 111.5° | 127.7° |
| C11 | C12 | C14 | H141 | 179.7° | 180.0° |
| C13 | C11 | N02 | C10 | 112.6° | 127.7° |
| C11 | C13 | C15 | H151 | 179.6° | 180.0° |
| C13 | C11 | N02 | H021 | 67.4° | 52.3° |
| C11 | C13 | C18 | H181 | 90.5° | 90.0° |
| C11 | C13 | C18 | H182 | 29.5° | 150.1° |
| C11 | C13 | C18 | H183 | 149.5° | 30.0° |
| C18 | C13 | C11 | N02 | 1.4° | 0.0° |
| C18 | C13 | C15 | H151 | 0.8° | 0.3° |
| C13 | C18 | H181 | H182 | 120.0° | 120.0° |
| C13 | C18 | H181 | H183 | 120.0° | 120.0° |
| C13 | C18 | H182 | H183 | 120.0° | 120.0° |
| C11 | N02 | C10 | H021 | 180.0° | 180.0° |
| C11 | N02 | C10 | C06 | 179.1° | 176.3° |
| C11 | N02 | C10 | O01 | 0.3° | 3.9° |
| N02 | C10 | C06 | O01 | 179.3° | 179.8° |
| N02 | C10 | C06 | C03 | 66.9° | 179.7° |
| N02 | C10 | C06 | C07 | 179.2° | 64.5° |
| N02 | C10 | C06 | H061 | 54.8° | 57.9° |
| C03 | C08 | C09 | H082 | 117.1° | 118.8° |
| C03 | C08 | C09 | H081 | 117.1° | 118.9° |
| C08 | C03 | C06 | C10 | 161.4° | 170.8° |
| C08 | C03 | C06 | C05 | 108.9° | 104.2° |
| C08 | C03 | C06 | H031 | 123.6° | 129.5° |
| C08 | C03 | C06 | C07 | 80.4° | 70.5° |
| C08 | C03 | C05 | H031 | 120.8° | 126.0° |
| C03 | C08 | C09 | C04 | 2.3° | 0.5° |
| C08 | C03 | C05 | C04 | 65.1° | 54.4° |
| C08 | C03 | C05 | H051 | 176.0° | 171.1° |
| C08 | C03 | C05 | H052 | 53.8° | 62.5° |
| C08 | C03 | C06 | H061 | 39.7° | 48.4° |
| C03 | C08 | H082 | H081 | 127.9° | 122.5° |
| C03 | C08 | C09 | H091 | 120.9° | 118.8° |
| C03 | C08 | C09 | H092 | 116.4° | 118.7° |
| C09 | C08 | C03 | C06 | 75.5° | 70.5° |
| C09 | C08 | C03 | C05 | 36.3° | 33.8° |
| C08 | C09 | C04 | H091 | 118.7° | 118.6° |
| C08 | C09 | C04 | H092 | 118.7° | 118.9° |
| C08 | C09 | C04 | C05 | 32.3° | 34.5° |
| C08 | C09 | C04 | C07 | 80.4° | 69.6° |
| C09 | C08 | C03 | H031 | 160.0° | 160.0° |
| C08 | C09 | C04 | H041 | 156.9° | 160.1° |
| C09 | C08 | H082 | H081 | 127.9° | 122.3° |
| C08 | C09 | H091 | H092 | 123.8° | 122.4° |
| C10 | C06 | C03 | C07 | 118.1° | 118.8° |
| C10 | C06 | C03 | H061 | 121.7° | 122.3° |
| C10 | C06 | C07 | H061 | 126.9° | 122.4° |
| C10 | C06 | C03 | C05 | 89.6° | 85.0° |
| C10 | C06 | C07 | C04 | 111.7° | 118.8° |
| C06 | C10 | N02 | H021 | 0.9° | 3.7° |
| C10 | C06 | C03 | H031 | 37.8° | 41.3° |
| C10 | C06 | C07 | H071 | 130.9° | 0.1° |
| C10 | C06 | C07 | H072 | 5.8° | 122.4° |
| O01 | C10 | C06 | C03 | 112.4° | 0.1° |
| O01 | C10 | C06 | C07 | 0.2° | 115.3° |
| O01 | C10 | N02 | H021 | 179.7° | 176.1° |
| O01 | C10 | C06 | H061 | 125.9° | 122.2° |
| C03 | C06 | C07 | H061 | 121.2° | 118.8° |
| C06 | C03 | C05 | H031 | 125.8° | 126.1° |
| C06 | C03 | C05 | C04 | 48.3° | 53.5° |
| C03 | C06 | C07 | C04 | 0.3° | 0.0° |
| C06 | C03 | C05 | H051 | 70.6° | 63.2° |
| C06 | C03 | C05 | H052 | 167.2° | 170.3° |
| C03 | C06 | C07 | H071 | 117.2° | 118.8° |
| C03 | C06 | C07 | H072 | 117.7° | 118.8° |
| C06 | C03 | C08 | H082 | 167.4° | 170.8° |
| C06 | C03 | C08 | H081 | 41.6° | 48.3° |
| C07 | C06 | C03 | C05 | 28.5° | 33.8° |
| C06 | C07 | C04 | C09 | 78.7° | 69.7° |
| C06 | C07 | C04 | C05 | 28.5° | 33.7° |
| C06 | C07 | C04 | H071 | 117.5° | 118.8° |
| C06 | C07 | C04 | H072 | 117.5° | 118.9° |
| C07 | C06 | C03 | H031 | 155.9° | 160.1° |
| C06 | C07 | C04 | H041 | 157.9° | 160.4° |
| C06 | C07 | H071 | H072 | 127.0° | 122.4° |
| C03 | C05 | C04 | C09 | 61.8° | 54.2° |
| C03 | C05 | C04 | H051 | 118.9° | 116.7° |
| C03 | C05 | C04 | H052 | 118.9° | 116.8° |
| C03 | C05 | C04 | C07 | 49.2° | 53.5° |
| C03 | C05 | C04 | H041 | 176.0° | 179.6° |
| C03 | C05 | H051 | H052 | 123.3° | 126.6° |
| C05 | C03 | C06 | H061 | 148.7° | 152.6° |
| C05 | C03 | C08 | H082 | 80.8° | 85.0° |
| C05 | C03 | C08 | H081 | 153.4° | 152.5° |
| C09 | C04 | C05 | C07 | 111.0° | 107.7° |
| C09 | C04 | C05 | H041 | 122.2° | 125.4° |
| C09 | C04 | C07 | H041 | 123.4° | 129.9° |
| C09 | C04 | C05 | H051 | 179.3° | 170.9° |
| C09 | C04 | C05 | H052 | 57.1° | 62.6° |
| C09 | C04 | C07 | H071 | 38.8° | 171.5° |
| C09 | C04 | C07 | H072 | 163.8° | 49.1° |
| C04 | C09 | C08 | H082 | 114.8° | 119.2° |
| C04 | C09 | C08 | H081 | 119.3° | 118.4° |
| C04 | C09 | H091 | H092 | 123.8° | 122.7° |
| C05 | C04 | C07 | H041 | 129.3° | 126.7° |
| C04 | C05 | C03 | H031 | 174.1° | 179.6° |
| C04 | C05 | H051 | H052 | 123.3° | 126.7° |
| C05 | C04 | C07 | H071 | 146.0° | 85.0° |
| C05 | C04 | C07 | H072 | 88.9° | 152.6° |
| C05 | C04 | C09 | H091 | 86.4° | 153.0° |
| C05 | C04 | C09 | H092 | 151.0° | 84.5° |
| C07 | C04 | C05 | H051 | 69.7° | 63.2° |
| C07 | C04 | C05 | H052 | 168.0° | 170.3° |
| C04 | C07 | C06 | H061 | 121.4° | 118.8° |
| C04 | C07 | H071 | H072 | 127.0° | 122.4° |
| C07 | C04 | C09 | H091 | 161.0° | 49.0° |
| C07 | C04 | C09 | H092 | 38.3° | 171.5° |
| H172 | C17 | H173 | H171 | 120.0° | 120.1° |
| H031 | C03 | C05 | H051 | 55.2° | 62.9° |
| H031 | C03 | C05 | H052 | 67.0° | 63.6° |
| H031 | C03 | C06 | H061 | 83.9° | 81.0° |
| H031 | C03 | C08 | H082 | 42.9° | 41.3° |
| H031 | C03 | C08 | H081 | 83.0° | 81.2° |
| H041 | C04 | C05 | H051 | 57.1° | 63.7° |
| H041 | C04 | C05 | H052 | 65.1° | 62.8° |
| H041 | C04 | C07 | H071 | 84.7° | 41.6° |
| H041 | C04 | C07 | H072 | 40.4° | 80.8° |
| H041 | C04 | C09 | H091 | 38.2° | 81.3° |
| H041 | C04 | C09 | H092 | 84.5° | 41.2° |
| H061 | C06 | C07 | H071 | 4.0° | 122.4° |
| H061 | C06 | C07 | H072 | 121.1° | 0.0° |
| H082 | C08 | C09 | H091 | 3.8° | 122.4° |
| H082 | C08 | C09 | H092 | 126.5° | 0.0° |
| H081 | C08 | C09 | H091 | 122.0° | 0.1° |
| H081 | C08 | C09 | H092 | 0.7° | 122.4° |
| H181 | C18 | H182 | H183 | 120.0° | 120.0° |
| H191 | C19 | H192 | H193 | 120.0° | 120.0° |
