4L5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C03 | C02 | doub | 1.36Å | 1.44Å | Aromatic |
| C03 | C04 | sing | 1.41Å | 1.45Å | Aromatic |
| C24 | O23 | sing | 1.43Å | 1.42Å | |
| C02 | C01 | sing | 1.41Å | 1.42Å | Aromatic |
| C04 | N07 | doub | 1.33Å | 1.37Å | Aromatic |
| C04 | N05 | sing | 1.37Å | 1.30Å | Aromatic |
| N07 | C08 | sing | 1.33Å | 1.34Å | Aromatic |
| N11 | C01 | sing | 1.39Å | 1.43Å | |
| N11 | C12 | sing | 1.46Å | 1.44Å | |
| C01 | N06 | doub | 1.31Å | 1.33Å | Aromatic |
| N05 | N06 | sing | 1.40Å | 1.35Å | Aromatic |
| N05 | C09 | sing | 1.37Å | 1.40Å | Aromatic |
| C14 | C12 | sing | 1.53Å | 1.52Å | |
| C08 | C09 | doub | 1.38Å | 1.40Å | Aromatic |
| C09 | C10 | sing | 1.47Å | 1.52Å | |
| C15 | C10 | doub | 1.40Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | C19 | sing | 1.40Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.53Å | 1.51Å | |
| O23 | C16 | sing | 1.36Å | 1.41Å | |
| C16 | C17 | doub | 1.41Å | 1.40Å | Aromatic |
| C19 | C18 | doub | 1.36Å | 1.40Å | Aromatic |
| C17 | C18 | sing | 1.40Å | 1.40Å | Aromatic |
| C17 | C20 | sing | 1.47Å | 1.53Å | |
| C20 | N22 | sing | 1.35Å | 1.42Å | |
| C20 | O21 | doub | 1.22Å | 1.22Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H133 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H243 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.08Å | 1.08Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| N11 | H111 | sing | 0.97Å | 1.00Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C14 | H143 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| N22 | H221 | sing | 0.97Å | 1.00Å | |
| N22 | H222 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | C03 | C04 | 118.8° | 119.4° |
| C03 | C02 | C01 | 116.5° | 120.0° |
| C03 | C02 | H021 | 121.7° | 120.0° |
| C02 | C03 | H031 | 120.6° | 120.3° |
| C03 | C04 | N07 | 130.7° | 132.3° |
| C03 | C04 | N05 | 119.7° | 119.2° |
| C04 | C03 | H031 | 120.6° | 120.3° |
| C24 | O23 | C16 | 118.3° | 116.9° |
| O23 | C24 | H241 | 109.5° | 109.4° |
| O23 | C24 | H243 | 109.5° | 109.5° |
| O23 | C24 | H242 | 109.4° | 109.5° |
| C02 | C01 | N11 | 117.7° | 119.7° |
| C02 | C01 | N06 | 120.0° | 120.7° |
| C01 | C02 | H021 | 121.8° | 119.9° |
| N07 | C04 | N05 | 109.5° | 108.5° |
| C04 | N07 | C08 | 108.4° | 109.5° |
| C04 | N05 | N06 | 121.4° | 120.2° |
| C04 | N05 | C09 | 108.9° | 107.1° |
| N07 | C08 | C09 | 107.7° | 108.2° |
| N07 | C08 | H081 | 126.1° | 125.9° |
| C01 | N11 | C12 | 125.3° | 120.0° |
| N11 | C01 | N06 | 121.9° | 119.7° |
| C01 | N11 | H111 | 105.4° | 120.0° |
| N11 | C12 | C14 | 108.9° | 109.5° |
| N11 | C12 | C13 | 115.3° | 109.5° |
| C12 | N11 | H111 | 105.4° | 120.0° |
| N11 | C12 | H121 | 108.9° | 109.5° |
| C01 | N06 | N05 | 123.6° | 120.6° |
| N06 | N05 | C09 | 129.7° | 132.7° |
| N05 | C09 | C08 | 105.4° | 106.7° |
| N05 | C09 | C10 | 129.0° | 126.7° |
| C14 | C12 | C13 | 107.6° | 109.5° |
| C14 | C12 | H121 | 107.9° | 109.5° |
| C12 | C14 | H143 | 109.5° | 109.5° |
| C12 | C14 | H141 | 109.5° | 109.4° |
| C12 | C14 | H142 | 109.5° | 109.4° |
| C08 | C09 | C10 | 125.6° | 126.7° |
| C09 | C08 | H081 | 126.1° | 125.9° |
| C09 | C10 | C15 | 121.6° | 120.0° |
| C09 | C10 | C19 | 120.2° | 120.0° |
| C10 | C15 | C16 | 121.6° | 119.9° |
| C15 | C10 | C19 | 118.0° | 120.1° |
| C10 | C15 | H151 | 119.2° | 120.1° |
| C15 | C16 | O23 | 119.3° | 120.2° |
| C15 | C16 | C17 | 120.2° | 119.7° |
| C16 | C15 | H151 | 119.2° | 120.0° |
| C10 | C19 | C18 | 121.1° | 120.3° |
| C10 | C19 | H191 | 119.5° | 119.9° |
| C12 | C13 | H131 | 109.5° | 109.5° |
| C12 | C13 | H132 | 109.5° | 109.5° |
| C12 | C13 | H133 | 109.5° | 109.4° |
| C13 | C12 | H121 | 108.0° | 109.5° |
| O23 | C16 | C17 | 120.4° | 120.1° |
| C16 | C17 | C18 | 118.6° | 119.9° |
| C16 | C17 | C20 | 121.8° | 120.0° |
| C19 | C18 | C17 | 120.6° | 120.2° |
| C19 | C18 | H181 | 119.7° | 119.9° |
| C18 | C19 | H191 | 119.4° | 119.9° |
| C18 | C17 | C20 | 119.5° | 120.1° |
| C17 | C18 | H181 | 119.7° | 119.9° |
| C17 | C20 | N22 | 122.2° | 120.0° |
| C17 | C20 | O21 | 120.1° | 120.1° |
| N22 | C20 | O21 | 117.6° | 119.9° |
| C20 | N22 | H221 | 120.0° | 120.0° |
| C20 | N22 | H222 | 120.0° | 120.0° |
| H131 | C13 | H132 | 109.5° | 109.5° |
| H131 | C13 | H133 | 109.5° | 109.5° |
| H132 | C13 | H133 | 109.4° | 109.5° |
| H241 | C24 | H243 | 109.5° | 109.4° |
| H241 | C24 | H242 | 109.5° | 109.5° |
| H243 | C24 | H242 | 109.5° | 109.5° |
| H143 | C14 | H141 | 109.5° | 109.5° |
| H143 | C14 | H142 | 109.5° | 109.5° |
| H141 | C14 | H142 | 109.4° | 109.5° |
| H221 | N22 | H222 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | C03 | C04 | H031 | 180.0° | 179.9° |
| C03 | C02 | C01 | H021 | 180.0° | 179.9° |
| C02 | C03 | C04 | N07 | 176.8° | 179.9° |
| C02 | C03 | C04 | N05 | 1.0° | 0.0° |
| C03 | C02 | C01 | N11 | 175.2° | 179.8° |
| C03 | C02 | C01 | N06 | 3.2° | 0.1° |
| C04 | C03 | C02 | C01 | 1.1° | 0.1° |
| C03 | C04 | N07 | N05 | 178.0° | 179.9° |
| C03 | C04 | N07 | C08 | 179.9° | 180.0° |
| C03 | C04 | N05 | N06 | 1.1° | 0.1° |
| C03 | C04 | N05 | C09 | 179.4° | 180.0° |
| C04 | C03 | C02 | H021 | 178.9° | 180.0° |
| C24 | O23 | C16 | C15 | 59.7° | 0.0° |
| C24 | O23 | C16 | C17 | 123.9° | 180.0° |
| O23 | C24 | H241 | H243 | 120.0° | 119.9° |
| O23 | C24 | H241 | H242 | 120.0° | 120.0° |
| O23 | C24 | H243 | H242 | 120.0° | 120.0° |
| C02 | C01 | N11 | N06 | 171.9° | 179.7° |
| C02 | C01 | N11 | C12 | 154.6° | 179.7° |
| C02 | C01 | N06 | N05 | 3.3° | 0.0° |
| C01 | C02 | C03 | H031 | 178.9° | 180.0° |
| C02 | C01 | N11 | H111 | 32.5° | 0.3° |
| N07 | C04 | N05 | N06 | 177.1° | 180.0° |
| N07 | C04 | N05 | C09 | 2.3° | 0.1° |
| C04 | N07 | C08 | C09 | 0.7° | 0.0° |
| N07 | C04 | C03 | H031 | 3.2° | 0.0° |
| C04 | N07 | C08 | H081 | 179.3° | 180.0° |
| N05 | C04 | N07 | C08 | 1.9° | 0.1° |
| C04 | N05 | N06 | C01 | 1.0° | 0.0° |
| C04 | N05 | N06 | C09 | 179.3° | 179.9° |
| C04 | N05 | C09 | C08 | 1.9° | 0.1° |
| C04 | N05 | C09 | C10 | 178.7° | 180.0° |
| N05 | C04 | C03 | H031 | 179.0° | 179.9° |
| N07 | C08 | C09 | N05 | 0.7° | 0.0° |
| N07 | C08 | C09 | H081 | 180.0° | 180.0° |
| N07 | C08 | C09 | C10 | 179.8° | 179.9° |
| C01 | N11 | C12 | H111 | 122.1° | 180.0° |
| N11 | C01 | N06 | N05 | 175.0° | 179.7° |
| C01 | N11 | C12 | C14 | 166.3° | 85.0° |
| C01 | N11 | C12 | C13 | 45.3° | 155.0° |
| N11 | C01 | C02 | H021 | 4.9° | 0.3° |
| C01 | N11 | C12 | H121 | 76.3° | 35.0° |
| C12 | N11 | C01 | N06 | 33.5° | 0.0° |
| N11 | C12 | C14 | C13 | 125.6° | 120.0° |
| N11 | C12 | C14 | H121 | 118.1° | 120.0° |
| N11 | C12 | C13 | H121 | 122.1° | 120.0° |
| N11 | C12 | C13 | H131 | 180.0° | 60.0° |
| N11 | C12 | C13 | H132 | 60.0° | 180.0° |
| N11 | C12 | C13 | H133 | 60.0° | 60.0° |
| N11 | C12 | C14 | H143 | 180.0° | 60.0° |
| N11 | C12 | C14 | H141 | 60.0° | 180.0° |
| N11 | C12 | C14 | H142 | 60.0° | 60.0° |
| C01 | N06 | N05 | C09 | 178.2° | 180.0° |
| N06 | C01 | C02 | H021 | 176.9° | 180.0° |
| N06 | C01 | N11 | H111 | 155.7° | 180.0° |
| N06 | N05 | C09 | C08 | 177.5° | 180.0° |
| N06 | N05 | C09 | C10 | 2.0° | 0.1° |
| N05 | C09 | C08 | C10 | 179.5° | 179.9° |
| N05 | C09 | C10 | C15 | 9.8° | 179.8° |
| N05 | C09 | C10 | C19 | 175.0° | 0.0° |
| N05 | C09 | C08 | H081 | 179.4° | 180.0° |
| C14 | C12 | C13 | H121 | 116.2° | 120.0° |
| C14 | C12 | C13 | H131 | 58.3° | 180.0° |
| C14 | C12 | C13 | H132 | 61.7° | 60.0° |
| C14 | C12 | C13 | H133 | 178.3° | 60.0° |
| C14 | C12 | N11 | H111 | 71.6° | 95.0° |
| C12 | C14 | H143 | H141 | 120.0° | 120.0° |
| C12 | C14 | H143 | H142 | 120.0° | 120.0° |
| C12 | C14 | H141 | H142 | 120.0° | 120.0° |
| C08 | C09 | C10 | C15 | 170.8° | 0.3° |
| C08 | C09 | C10 | C19 | 4.3° | 179.9° |
| C09 | C10 | C15 | C19 | 175.2° | 179.7° |
| C09 | C10 | C15 | C16 | 176.6° | 179.7° |
| C09 | C10 | C19 | C18 | 177.9° | 179.7° |
| C09 | C10 | C15 | H151 | 3.5° | 0.3° |
| C10 | C09 | C08 | H081 | 0.1° | 0.0° |
| C09 | C10 | C19 | H191 | 2.1° | 0.2° |
| C10 | C15 | C16 | H151 | 180.0° | 180.0° |
| C10 | C15 | C16 | O23 | 177.0° | 180.0° |
| C10 | C15 | C16 | C17 | 0.6° | 0.0° |
| C15 | C10 | C19 | C18 | 2.6° | 0.1° |
| C15 | C10 | C19 | H191 | 177.4° | 180.0° |
| C16 | C15 | C10 | C19 | 1.3° | 0.0° |
| C15 | C16 | O23 | C17 | 176.4° | 180.0° |
| C15 | C16 | C17 | C18 | 1.3° | 0.0° |
| C15 | C16 | C17 | C20 | 174.9° | 180.0° |
| C10 | C19 | C18 | H191 | 180.0° | 179.9° |
| C10 | C19 | C18 | C17 | 1.9° | 0.1° |
| C19 | C10 | C15 | H151 | 178.7° | 180.0° |
| C10 | C19 | C18 | H181 | 178.1° | 180.0° |
| C12 | C13 | H131 | H132 | 120.0° | 120.0° |
| C12 | C13 | H131 | H133 | 120.0° | 120.0° |
| C12 | C13 | H132 | H133 | 120.0° | 119.9° |
| C13 | C12 | N11 | H111 | 167.4° | 25.0° |
| C13 | C12 | C14 | H143 | 54.4° | 60.0° |
| C13 | C12 | C14 | H141 | 174.4° | 60.0° |
| C13 | C12 | C14 | H142 | 65.6° | 180.0° |
| O23 | C16 | C17 | C18 | 177.7° | 180.0° |
| O23 | C16 | C17 | C20 | 1.5° | 0.0° |
| O23 | C16 | C15 | H151 | 3.0° | 0.0° |
| C16 | O23 | C24 | H241 | 180.0° | 180.0° |
| C16 | O23 | C24 | H243 | 60.0° | 60.1° |
| C16 | O23 | C24 | H242 | 60.0° | 60.0° |
| C16 | C17 | C18 | C19 | 0.1° | 0.0° |
| C16 | C17 | C18 | C20 | 176.3° | 180.0° |
| C16 | C17 | C20 | N22 | 0.1° | 180.0° |
| C16 | C17 | C20 | O21 | 177.0° | 0.0° |
| C17 | C16 | C15 | H151 | 179.4° | 180.0° |
| C16 | C17 | C18 | H181 | 179.9° | 180.0° |
| C19 | C18 | C17 | H181 | 180.0° | 179.9° |
| C19 | C18 | C17 | C20 | 176.2° | 180.0° |
| C18 | C17 | C20 | N22 | 176.2° | 0.0° |
| C18 | C17 | C20 | O21 | 0.9° | 180.0° |
| C17 | C18 | C19 | H191 | 178.1° | 180.0° |
| C17 | C20 | N22 | O21 | 177.2° | 180.0° |
| C20 | C17 | C18 | H181 | 3.8° | 0.1° |
| C17 | C20 | N22 | H221 | 177.2° | 0.0° |
| C17 | C20 | N22 | H222 | 2.8° | 179.9° |
| C20 | N22 | H221 | H222 | 180.0° | 180.0° |
| O21 | C20 | N22 | H221 | 0.0° | 180.0° |
| O21 | C20 | N22 | H222 | 180.0° | 0.1° |
| H131 | C13 | H132 | H133 | 120.0° | 120.1° |
| H131 | C13 | C12 | H121 | 57.9° | 60.0° |
| H132 | C13 | C12 | H121 | 177.9° | 60.0° |
| H133 | C13 | C12 | H121 | 62.1° | 180.0° |
| H241 | C24 | H243 | H242 | 120.0° | 120.1° |
| H021 | C02 | C03 | H031 | 1.1° | 0.1° |
| H111 | N11 | C12 | H121 | 45.8° | 145.0° |
| H121 | C12 | C14 | H143 | 61.9° | 180.0° |
| H121 | C12 | C14 | H141 | 58.1° | 60.0° |
| H121 | C12 | C14 | H142 | 178.1° | 60.0° |
| H143 | C14 | H141 | H142 | 120.0° | 120.0° |
| H181 | C18 | C19 | H191 | 1.9° | 0.1° |
