5BX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O06 | C05 | doub | 1.22Å | 1.22Å | |
| C10 | C09 | sing | 1.53Å | 1.50Å | |
| C05 | N04 | sing | 1.33Å | 1.37Å | |
| C05 | C07 | sing | 1.52Å | 1.48Å | |
| N04 | C03 | doub | 1.31Å | 1.42Å | |
| C09 | C07 | sing | 1.53Å | 1.51Å | |
| C09 | C11 | sing | 1.51Å | 1.53Å | |
| C01 | N02 | sing | 1.46Å | 1.50Å | |
| C07 | O08 | sing | 1.46Å | 1.40Å | |
| C03 | N02 | sing | 1.36Å | 1.42Å | |
| C03 | O08 | sing | 1.34Å | 1.41Å | |
| C18 | C17 | doub | 1.37Å | 1.42Å | Aromatic |
| C18 | C19 | sing | 1.40Å | 1.43Å | Aromatic |
| C11 | C19 | sing | 1.47Å | 1.44Å | Aromatic |
| C11 | C12 | doub | 1.34Å | 1.42Å | Aromatic |
| C17 | C16 | sing | 1.39Å | 1.45Å | Aromatic |
| C19 | C14 | doub | 1.41Å | 1.41Å | Aromatic |
| C12 | N13 | sing | 1.37Å | 1.37Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | N13 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.44Å | Aromatic |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| N02 | H021 | sing | 0.97Å | 1.00Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C10 | H103 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| N13 | H131 | sing | 0.97Å | 1.00Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O06 | C05 | N04 | 125.9° | 127.2° |
| O06 | C05 | C07 | 127.1° | 127.2° |
| C10 | C09 | C07 | 116.3° | 109.5° |
| C10 | C09 | C11 | 113.5° | 109.4° |
| C10 | C09 | H091 | 105.9° | 109.5° |
| C09 | C10 | H103 | 109.5° | 109.4° |
| C09 | C10 | H101 | 109.4° | 109.5° |
| C09 | C10 | H102 | 109.5° | 109.4° |
| N04 | C05 | C07 | 107.0° | 105.6° |
| C05 | N04 | C03 | 108.8° | 112.1° |
| C05 | C07 | C09 | 108.7° | 110.7° |
| C05 | C07 | O08 | 106.9° | 103.3° |
| C05 | C07 | H071 | 110.0° | 110.7° |
| N04 | C03 | N02 | 128.0° | 123.6° |
| N04 | C03 | O08 | 108.8° | 112.8° |
| C07 | C09 | C11 | 108.8° | 109.5° |
| C09 | C07 | O08 | 110.7° | 110.9° |
| C09 | C07 | H071 | 109.6° | 110.7° |
| C07 | C09 | H091 | 105.8° | 109.5° |
| C09 | C11 | C19 | 125.2° | 126.5° |
| C09 | C11 | C12 | 126.7° | 126.5° |
| C11 | C09 | H091 | 105.6° | 109.5° |
| C01 | N02 | C03 | 123.0° | 120.0° |
| N02 | C01 | H011 | 109.5° | 109.5° |
| N02 | C01 | H013 | 109.5° | 109.4° |
| N02 | C01 | H012 | 109.5° | 109.5° |
| C01 | N02 | H021 | 118.5° | 120.0° |
| C07 | O08 | C03 | 107.5° | 106.3° |
| O08 | C07 | H071 | 111.1° | 110.5° |
| N02 | C03 | O08 | 123.1° | 123.6° |
| C03 | N02 | H021 | 118.5° | 120.0° |
| C17 | C18 | C19 | 120.2° | 119.7° |
| C18 | C17 | C16 | 119.5° | 120.6° |
| C18 | C17 | H171 | 120.3° | 119.7° |
| C17 | C18 | H181 | 119.9° | 120.1° |
| C18 | C19 | C11 | 134.0° | 134.0° |
| C18 | C19 | C14 | 119.9° | 119.9° |
| C19 | C18 | H181 | 119.9° | 120.1° |
| C19 | C11 | C12 | 108.0° | 107.0° |
| C11 | C19 | C14 | 106.1° | 106.1° |
| C11 | C12 | N13 | 107.4° | 109.9° |
| C11 | C12 | H121 | 126.3° | 125.0° |
| C17 | C16 | C15 | 119.8° | 120.6° |
| C17 | C16 | H161 | 120.1° | 119.7° |
| C16 | C17 | H171 | 120.3° | 119.7° |
| C19 | C14 | N13 | 108.5° | 107.1° |
| C19 | C14 | C15 | 119.9° | 119.3° |
| C12 | N13 | C14 | 110.1° | 109.9° |
| N13 | C12 | H121 | 126.3° | 125.0° |
| C12 | N13 | H131 | 125.0° | 125.1° |
| C16 | C15 | C14 | 120.7° | 119.8° |
| C16 | C15 | H151 | 119.7° | 120.1° |
| C15 | C16 | H161 | 120.1° | 119.7° |
| N13 | C14 | C15 | 131.6° | 133.5° |
| C14 | N13 | H131 | 125.0° | 125.0° |
| C14 | C15 | H151 | 119.7° | 120.1° |
| H011 | C01 | H013 | 109.5° | 109.5° |
| H011 | C01 | H012 | 109.5° | 109.5° |
| H013 | C01 | H012 | 109.5° | 109.4° |
| H103 | C10 | H101 | 109.5° | 109.5° |
| H103 | C10 | H102 | 109.5° | 109.5° |
| H101 | C10 | H102 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O06 | C05 | N04 | C07 | 179.3° | 180.0° |
| O06 | C05 | N04 | C03 | 173.2° | 180.0° |
| O06 | C05 | C07 | C09 | 49.9° | 61.5° |
| O06 | C05 | C07 | O08 | 169.4° | 179.8° |
| O06 | C05 | C07 | H071 | 69.9° | 61.6° |
| C10 | C09 | C07 | C05 | 51.5° | 60.0° |
| C10 | C09 | C07 | C11 | 129.7° | 120.0° |
| C10 | C09 | C07 | H091 | 117.2° | 120.0° |
| C10 | C09 | C11 | H091 | 115.6° | 120.0° |
| C10 | C09 | C07 | O08 | 65.5° | 54.0° |
| C10 | C09 | C11 | C19 | 102.3° | 120.0° |
| C10 | C09 | C11 | C12 | 76.4° | 59.7° |
| C10 | C09 | C07 | H071 | 171.6° | 176.9° |
| C09 | C10 | H103 | H101 | 120.0° | 120.0° |
| C09 | C10 | H103 | H102 | 120.0° | 119.9° |
| C09 | C10 | H101 | H102 | 120.0° | 120.0° |
| N04 | C05 | C07 | C09 | 129.4° | 118.5° |
| N04 | C05 | C07 | O08 | 9.9° | 0.2° |
| C05 | N04 | C03 | N02 | 179.7° | 180.0° |
| C05 | N04 | C03 | O08 | 0.1° | 0.2° |
| N04 | C05 | C07 | H071 | 110.7° | 118.4° |
| C07 | C05 | N04 | C03 | 6.1° | 0.0° |
| C05 | C07 | C09 | O08 | 117.0° | 114.0° |
| C05 | C07 | C09 | H071 | 120.1° | 123.1° |
| C05 | C07 | C09 | C11 | 178.8° | 180.0° |
| C05 | C07 | O08 | H071 | 119.9° | 118.4° |
| C05 | C07 | O08 | C03 | 9.8° | 0.4° |
| C05 | C07 | C09 | H091 | 65.7° | 60.0° |
| N04 | C03 | N02 | C01 | 0.4° | 0.3° |
| N04 | C03 | O08 | C07 | 6.3° | 0.4° |
| N04 | C03 | N02 | O08 | 179.8° | 179.7° |
| N04 | C03 | N02 | H021 | 179.6° | 179.7° |
| C07 | C09 | C11 | H091 | 113.2° | 120.0° |
| C09 | C07 | O08 | H071 | 121.9° | 123.1° |
| C09 | C07 | O08 | C03 | 127.9° | 118.2° |
| C07 | C09 | C11 | C19 | 126.5° | 120.0° |
| C07 | C09 | C11 | C12 | 54.8° | 60.3° |
| C07 | C09 | C10 | H103 | 180.0° | 60.0° |
| C07 | C09 | C10 | H101 | 60.0° | 180.0° |
| C07 | C09 | C10 | H102 | 60.0° | 60.0° |
| C11 | C09 | C07 | O08 | 64.1° | 66.0° |
| C09 | C11 | C19 | C18 | 0.9° | 0.8° |
| C09 | C11 | C19 | C12 | 178.9° | 179.8° |
| C09 | C11 | C19 | C14 | 179.5° | 179.8° |
| C09 | C11 | C12 | N13 | 179.5° | 180.0° |
| C11 | C09 | C07 | H071 | 58.7° | 56.9° |
| C11 | C09 | C10 | H103 | 52.6° | 180.0° |
| C11 | C09 | C10 | H101 | 67.4° | 60.0° |
| C11 | C09 | C10 | H102 | 172.6° | 60.1° |
| C09 | C11 | C12 | H121 | 0.5° | 0.0° |
| C01 | N02 | C03 | H021 | 180.0° | 180.0° |
| C01 | N02 | C03 | O08 | 179.4° | 180.0° |
| N02 | C01 | H011 | H013 | 120.0° | 120.0° |
| N02 | C01 | H011 | H012 | 120.0° | 120.0° |
| N02 | C01 | H013 | H012 | 120.0° | 119.9° |
| C07 | O08 | C03 | N02 | 173.9° | 179.9° |
| O08 | C07 | C09 | H091 | 177.2° | 174.0° |
| C03 | N02 | C01 | H011 | 180.0° | 180.0° |
| C03 | N02 | C01 | H013 | 60.0° | 60.0° |
| C03 | N02 | C01 | H012 | 60.0° | 60.0° |
| O08 | C03 | N02 | H021 | 0.6° | 0.0° |
| C03 | O08 | C07 | H071 | 110.1° | 118.7° |
| C17 | C18 | C19 | H181 | 180.0° | 179.7° |
| C17 | C18 | C19 | C11 | 180.0° | 179.6° |
| C18 | C17 | C16 | H171 | 180.0° | 180.0° |
| C17 | C18 | C19 | C14 | 0.5° | 0.6° |
| C18 | C17 | C16 | C15 | 1.1° | 0.0° |
| C18 | C17 | C16 | H161 | 178.9° | 180.0° |
| C18 | C19 | C11 | C14 | 179.6° | 179.1° |
| C18 | C19 | C11 | C12 | 179.8° | 179.4° |
| C19 | C18 | C17 | C16 | 1.1° | 0.3° |
| C18 | C19 | C14 | N13 | 180.0° | 179.6° |
| C18 | C19 | C14 | C15 | 0.1° | 0.6° |
| C19 | C18 | C17 | H171 | 178.9° | 179.7° |
| C19 | C11 | C12 | N13 | 0.7° | 0.2° |
| C11 | C19 | C14 | N13 | 0.3° | 0.4° |
| C11 | C19 | C14 | C15 | 179.6° | 179.8° |
| C19 | C11 | C09 | H091 | 13.3° | 0.0° |
| C19 | C11 | C12 | H121 | 179.3° | 179.8° |
| C11 | C19 | C18 | H181 | 0.1° | 0.7° |
| C12 | C11 | C19 | C14 | 0.6° | 0.4° |
| C11 | C12 | N13 | H121 | 180.0° | 180.0° |
| C11 | C12 | N13 | C14 | 0.5° | 0.0° |
| C12 | C11 | C09 | H091 | 168.0° | 179.7° |
| C11 | C12 | N13 | H131 | 179.5° | 180.0° |
| C17 | C16 | C15 | H161 | 180.0° | 180.0° |
| C17 | C16 | C15 | C14 | 0.6° | 0.0° |
| C17 | C16 | C15 | H151 | 179.4° | 180.0° |
| C16 | C17 | C18 | H181 | 178.9° | 180.0° |
| C19 | C14 | N13 | C12 | 0.1° | 0.2° |
| C19 | C14 | C15 | C16 | 0.0° | 0.3° |
| C19 | C14 | N13 | C15 | 179.9° | 179.8° |
| C19 | C14 | N13 | H131 | 179.9° | 179.7° |
| C19 | C14 | C15 | H151 | 180.0° | 179.7° |
| C14 | C19 | C18 | H181 | 179.5° | 179.7° |
| C12 | N13 | C14 | H131 | 180.0° | 179.9° |
| C12 | N13 | C14 | C15 | 180.0° | 180.0° |
| C16 | C15 | C14 | N13 | 179.9° | 180.0° |
| C16 | C15 | C14 | H151 | 180.0° | 180.0° |
| C15 | C16 | C17 | H171 | 178.9° | 180.0° |
| C14 | N13 | C12 | H121 | 179.5° | 180.0° |
| N13 | C14 | C15 | H151 | 0.1° | 0.0° |
| C15 | C14 | N13 | H131 | 0.0° | 0.1° |
| C14 | C15 | C16 | H161 | 179.4° | 180.0° |
| H011 | C01 | H013 | H012 | 120.0° | 120.0° |
| H011 | C01 | N02 | H021 | 0.0° | 0.0° |
| H013 | C01 | N02 | H021 | 120.0° | 120.0° |
| H012 | C01 | N02 | H021 | 120.0° | 120.0° |
| H071 | C07 | C09 | H091 | 54.4° | 63.1° |
| H091 | C09 | C10 | H103 | 62.8° | 60.0° |
| H091 | C09 | C10 | H101 | 177.2° | 60.0° |
| H091 | C09 | C10 | H102 | 57.2° | 180.0° |
| H103 | C10 | H101 | H102 | 120.0° | 120.1° |
| H121 | C12 | N13 | H131 | 0.5° | 0.0° |
| H151 | C15 | C16 | H161 | 0.6° | 0.0° |
| H161 | C16 | C17 | H171 | 1.1° | 0.0° |
| H171 | C17 | C18 | H181 | 1.1° | 0.0° |
