V9E
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | C07 | sing | 1.51Å | 1.54Å | |
| C17 | C05 | sing | 1.51Å | 1.53Å | |
| N19 | C12 | sing | 1.38Å | 1.42Å | |
| C07 | C08 | doub | 1.35Å | 1.34Å | Aromatic |
| C07 | C06 | sing | 1.41Å | 1.36Å | Aromatic |
| N13 | C12 | doub | 1.32Å | 1.43Å | Aromatic |
| N13 | C14 | sing | 1.33Å | 1.44Å | Aromatic |
| C08 | N09 | sing | 1.35Å | 1.32Å | Aromatic |
| C12 | N11 | sing | 1.33Å | 1.47Å | Aromatic |
| C06 | C14 | sing | 1.48Å | 1.53Å | |
| C06 | N10 | doub | 1.32Å | 1.33Å | Aromatic |
| C14 | C15 | doub | 1.40Å | 1.46Å | Aromatic |
| N09 | N10 | sing | 1.40Å | 1.35Å | Aromatic |
| N09 | C18 | sing | 1.46Å | 1.48Å | |
| N11 | C16 | doub | 1.32Å | 1.42Å | Aromatic |
| C05 | S04 | sing | 1.76Å | 1.57Å | Aromatic |
| C05 | C01 | doub | 1.33Å | 1.43Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 1.46Å | Aromatic |
| C16 | CL20 | sing | 1.74Å | 1.72Å | |
| S04 | C03 | sing | 1.76Å | 1.56Å | Aromatic |
| C01 | C02 | sing | 1.38Å | 1.60Å | Aromatic |
| C03 | C02 | doub | 1.33Å | 1.45Å | Aromatic |
| C01 | H011 | sing | 1.08Å | 1.08Å | |
| C02 | H021 | sing | 1.08Å | 1.08Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H183 | sing | 1.09Å | 1.10Å | |
| N19 | H191 | sing | 0.97Å | 1.00Å | |
| N19 | H192 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C07 | C17 | C05 | 109.2° | 109.4° |
| C17 | C07 | C08 | 127.8° | 126.1° |
| C17 | C07 | C06 | 125.6° | 126.1° |
| C07 | C17 | H172 | 109.5° | 109.5° |
| C07 | C17 | H171 | 109.5° | 109.5° |
| C17 | C05 | S04 | 125.7° | 125.2° |
| C17 | C05 | C01 | 125.3° | 125.3° |
| C05 | C17 | H172 | 109.5° | 109.5° |
| C05 | C17 | H171 | 109.5° | 109.4° |
| N19 | C12 | N13 | 122.0° | 119.2° |
| N19 | C12 | N11 | 118.4° | 119.1° |
| C12 | N19 | H191 | 109.5° | 120.0° |
| C12 | N19 | H192 | 109.5° | 120.0° |
| C08 | C07 | C06 | 106.6° | 107.9° |
| C07 | C08 | N09 | 108.8° | 108.0° |
| C07 | C08 | H081 | 125.6° | 126.0° |
| C07 | C06 | C14 | 127.7° | 126.1° |
| C07 | C06 | N10 | 109.0° | 107.9° |
| C12 | N13 | C14 | 121.2° | 120.7° |
| N13 | C12 | N11 | 119.5° | 121.7° |
| N13 | C14 | C06 | 123.3° | 120.5° |
| N13 | C14 | C15 | 119.6° | 119.0° |
| C08 | N09 | N10 | 108.6° | 108.1° |
| C08 | N09 | C18 | 127.2° | 125.9° |
| N09 | C08 | H081 | 125.6° | 126.0° |
| C12 | N11 | C16 | 119.6° | 121.0° |
| C14 | C06 | N10 | 123.4° | 126.1° |
| C06 | C14 | C15 | 117.1° | 120.5° |
| C06 | N10 | N09 | 106.9° | 108.1° |
| C14 | C15 | C16 | 118.8° | 118.4° |
| C14 | C15 | H151 | 120.6° | 120.8° |
| N10 | N09 | C18 | 124.2° | 125.9° |
| N09 | C18 | H181 | 109.5° | 109.5° |
| N09 | C18 | H182 | 109.5° | 109.5° |
| N09 | C18 | H183 | 109.5° | 109.5° |
| N11 | C16 | C15 | 121.3° | 119.2° |
| N11 | C16 | CL20 | 118.6° | 120.4° |
| S04 | C05 | C01 | 109.0° | 109.6° |
| C05 | S04 | C03 | 106.3° | 91.0° |
| C05 | C01 | C02 | 107.9° | 115.0° |
| C05 | C01 | H011 | 126.1° | 122.5° |
| C15 | C16 | CL20 | 120.0° | 120.3° |
| C16 | C15 | H151 | 120.6° | 120.8° |
| S04 | C03 | C02 | 108.1° | 109.6° |
| S04 | C03 | H031 | 126.0° | 125.2° |
| C01 | C02 | C03 | 108.8° | 114.9° |
| C02 | C01 | H011 | 126.1° | 122.5° |
| C01 | C02 | H021 | 125.6° | 122.6° |
| C03 | C02 | H021 | 125.6° | 122.5° |
| C02 | C03 | H031 | 125.9° | 125.2° |
| H172 | C17 | H171 | 109.5° | 109.5° |
| H181 | C18 | H182 | 109.4° | 109.4° |
| H181 | C18 | H183 | 109.4° | 109.5° |
| H182 | C18 | H183 | 109.5° | 109.5° |
| H191 | N19 | H192 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C07 | C17 | C05 | H172 | 120.0° | 120.0° |
| C07 | C17 | C05 | H171 | 120.0° | 120.0° |
| C17 | C07 | C08 | C06 | 178.5° | 179.9° |
| C17 | C07 | C08 | N09 | 179.5° | 179.9° |
| C17 | C07 | C06 | C14 | 0.0° | 0.1° |
| C17 | C07 | C06 | N10 | 178.6° | 179.7° |
| C07 | C17 | C05 | S04 | 114.5° | 90.0° |
| C07 | C17 | C05 | C01 | 64.7° | 89.7° |
| C17 | C07 | C08 | H081 | 0.5° | 0.0° |
| C07 | C17 | H172 | H171 | 120.1° | 120.1° |
| C05 | C17 | C07 | C08 | 93.8° | 95.0° |
| C05 | C17 | C07 | C06 | 84.4° | 85.1° |
| C17 | C05 | S04 | C01 | 179.3° | 179.7° |
| C17 | C05 | S04 | C03 | 179.1° | 180.0° |
| C17 | C05 | C01 | C02 | 179.6° | 179.9° |
| C17 | C05 | C01 | H011 | 0.4° | 0.2° |
| C05 | C17 | H172 | H171 | 120.1° | 119.9° |
| N19 | C12 | N13 | N11 | 177.4° | 179.7° |
| N19 | C12 | N13 | C14 | 178.3° | 179.8° |
| N19 | C12 | N11 | C16 | 177.4° | 179.7° |
| C12 | N19 | H191 | H192 | 120.0° | 180.0° |
| C07 | C08 | N09 | H081 | 180.0° | 180.0° |
| C08 | C07 | C06 | C14 | 178.6° | 180.0° |
| C08 | C07 | C06 | N10 | 0.0° | 0.2° |
| C07 | C08 | N09 | N10 | 3.2° | 0.2° |
| C07 | C08 | N09 | C18 | 179.5° | 180.0° |
| C08 | C07 | C17 | H172 | 26.1° | 145.0° |
| C08 | C07 | C17 | H171 | 146.2° | 24.9° |
| C07 | C06 | C14 | N13 | 1.9° | 25.3° |
| C06 | C07 | C08 | N09 | 2.0° | 0.0° |
| C07 | C06 | C14 | N10 | 178.4° | 179.8° |
| C07 | C06 | C14 | C15 | 176.1° | 154.8° |
| C07 | C06 | N10 | N09 | 1.9° | 0.4° |
| C06 | C07 | C08 | H081 | 178.0° | 179.9° |
| C06 | C07 | C17 | H172 | 155.7° | 34.9° |
| C06 | C07 | C17 | H171 | 35.6° | 155.0° |
| C12 | N13 | C14 | C06 | 179.6° | 180.0° |
| C12 | N13 | C14 | C15 | 1.6° | 0.0° |
| N13 | C12 | N11 | C16 | 0.1° | 0.0° |
| N13 | C12 | N19 | H191 | 0.0° | 179.7° |
| N13 | C12 | N19 | H192 | 120.0° | 0.3° |
| C14 | N13 | C12 | N11 | 0.9° | 0.0° |
| N13 | C14 | C06 | C15 | 178.1° | 180.0° |
| N13 | C14 | C06 | N10 | 179.6° | 155.0° |
| N13 | C14 | C15 | C16 | 1.3° | 0.0° |
| N13 | C14 | C15 | H151 | 178.7° | 179.9° |
| C08 | N09 | N10 | C06 | 3.2° | 0.4° |
| C08 | N09 | N10 | C18 | 177.3° | 179.7° |
| C08 | N09 | C18 | H181 | 176.8° | 90.0° |
| C08 | N09 | C18 | H182 | 63.2° | 150.0° |
| C08 | N09 | C18 | H183 | 56.8° | 30.0° |
| C12 | N11 | C16 | C15 | 0.4° | 0.0° |
| C12 | N11 | C16 | CL20 | 178.8° | 180.0° |
| N11 | C12 | N19 | H191 | 177.5° | 0.1° |
| N11 | C12 | N19 | H192 | 62.5° | 180.0° |
| C14 | C06 | N10 | N09 | 179.4° | 179.8° |
| C06 | C14 | C15 | C16 | 179.5° | 180.0° |
| C06 | C14 | C15 | H151 | 0.5° | 0.1° |
| N10 | C06 | C14 | C15 | 2.3° | 25.0° |
| C06 | N10 | N09 | C18 | 179.5° | 179.9° |
| C14 | C15 | C16 | N11 | 0.4° | 0.1° |
| C14 | C15 | C16 | H151 | 180.0° | 179.9° |
| C14 | C15 | C16 | CL20 | 178.1° | 180.0° |
| N10 | N09 | C08 | H081 | 176.8° | 179.7° |
| N10 | N09 | C18 | H181 | 0.0° | 90.3° |
| N10 | N09 | C18 | H182 | 120.0° | 29.7° |
| N10 | N09 | C18 | H183 | 120.0° | 149.7° |
| C18 | N09 | C08 | H081 | 0.5° | 0.0° |
| N09 | C18 | H181 | H182 | 120.0° | 120.0° |
| N09 | C18 | H181 | H183 | 120.0° | 120.0° |
| N09 | C18 | H182 | H183 | 120.0° | 120.0° |
| N11 | C16 | C15 | CL20 | 178.4° | 180.0° |
| N11 | C16 | C15 | H151 | 179.6° | 179.9° |
| S04 | C05 | C01 | C02 | 0.3° | 0.3° |
| C05 | S04 | C03 | C02 | 0.7° | 0.2° |
| S04 | C05 | C01 | H011 | 179.7° | 179.9° |
| C05 | S04 | C03 | H031 | 179.3° | 179.9° |
| S04 | C05 | C17 | H172 | 125.6° | 30.0° |
| S04 | C05 | C17 | H171 | 5.5° | 150.1° |
| C01 | C05 | S04 | C03 | 0.2° | 0.3° |
| C05 | C01 | C02 | H011 | 180.0° | 179.7° |
| C05 | C01 | C02 | C03 | 0.8° | 0.2° |
| C05 | C01 | C02 | H021 | 179.2° | 179.8° |
| C01 | C05 | C17 | H172 | 55.3° | 150.3° |
| C01 | C05 | C17 | H171 | 175.4° | 30.3° |
| CL20 | C16 | C15 | H151 | 1.9° | 0.1° |
| S04 | C03 | C02 | C01 | 0.9° | 0.0° |
| S04 | C03 | C02 | H031 | 180.0° | 180.0° |
| S04 | C03 | C02 | H021 | 179.1° | 179.9° |
| C01 | C02 | C03 | H021 | 180.0° | 180.0° |
| C01 | C02 | C03 | H031 | 179.1° | 180.0° |
| C03 | C02 | C01 | H011 | 179.2° | 180.0° |
| H011 | C01 | C02 | H021 | 0.8° | 0.1° |
| H021 | C02 | C03 | H031 | 0.9° | 0.0° |
| H181 | C18 | H182 | H183 | 119.9° | 120.0° |
