EBZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C12 | sing | 1.52Å | 1.61Å | |
| C14 | C07 | sing | 1.51Å | 1.59Å | |
| C12 | N04 | sing | 1.47Å | 1.40Å | |
| C21 | O02 | sing | 1.43Å | 1.40Å | |
| C22 | C19 | sing | 1.53Å | 1.53Å | |
| C16 | C07 | doub | 1.39Å | 1.42Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.37Å | Aromatic |
| C07 | C06 | sing | 1.38Å | 1.32Å | Aromatic |
| N04 | C11 | sing | 1.47Å | 1.42Å | |
| N04 | C05 | sing | 1.46Å | 1.39Å | |
| C19 | C23 | sing | 1.53Å | 1.53Å | |
| C19 | C18 | sing | 1.53Å | 1.53Å | |
| C11 | C13 | sing | 1.53Å | 1.59Å | |
| O02 | C17 | sing | 1.36Å | 1.40Å | |
| C17 | C15 | doub | 1.39Å | 1.37Å | Aromatic |
| C06 | C05 | sing | 1.51Å | 1.53Å | |
| C06 | C09 | doub | 1.39Å | 1.43Å | Aromatic |
| C18 | C13 | sing | 1.53Å | 1.53Å | |
| C05 | C08 | sing | 1.53Å | 1.60Å | |
| C13 | C10 | sing | 1.52Å | 1.50Å | |
| C15 | C09 | sing | 1.38Å | 1.37Å | Aromatic |
| C15 | O01 | sing | 1.36Å | 1.40Å | |
| C08 | C10 | sing | 1.51Å | 1.49Å | |
| C10 | O03 | doub | 1.21Å | 1.19Å | |
| O01 | C20 | sing | 1.43Å | 1.40Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H203 | sing | 1.09Å | 1.10Å | |
| C21 | H213 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H223 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C23 | H233 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C14 | C07 | 112.4° | 109.6° |
| C14 | C12 | N04 | 112.2° | 109.0° |
| C14 | C12 | H121 | 108.8° | 109.5° |
| C14 | C12 | H122 | 108.8° | 109.6° |
| C12 | C14 | H142 | 108.7° | 109.4° |
| C12 | C14 | H141 | 108.7° | 109.5° |
| C14 | C07 | C16 | 120.7° | 118.5° |
| C14 | C07 | C06 | 119.2° | 121.5° |
| C07 | C14 | H142 | 108.7° | 109.6° |
| C07 | C14 | H141 | 108.7° | 109.3° |
| C12 | N04 | C11 | 117.7° | 110.7° |
| C12 | N04 | C05 | 113.9° | 110.7° |
| N04 | C12 | H121 | 108.8° | 109.6° |
| N04 | C12 | H122 | 108.8° | 109.7° |
| C21 | O02 | C17 | 115.3° | 117.0° |
| O02 | C21 | H213 | 109.5° | 109.5° |
| O02 | C21 | H211 | 109.4° | 109.5° |
| O02 | C21 | H212 | 109.5° | 109.5° |
| C22 | C19 | C23 | 110.5° | 109.5° |
| C22 | C19 | C18 | 111.0° | 109.4° |
| C22 | C19 | H191 | 107.6° | 109.5° |
| C19 | C22 | H221 | 109.5° | 109.4° |
| C19 | C22 | H223 | 109.5° | 109.5° |
| C19 | C22 | H222 | 109.5° | 109.5° |
| C07 | C16 | C17 | 119.9° | 120.4° |
| C16 | C07 | C06 | 120.1° | 120.0° |
| C07 | C16 | H161 | 120.0° | 119.8° |
| C16 | C17 | O02 | 120.1° | 120.2° |
| C16 | C17 | C15 | 120.0° | 119.6° |
| C17 | C16 | H161 | 120.1° | 119.8° |
| C07 | C06 | C05 | 117.1° | 122.0° |
| C07 | C06 | C09 | 120.4° | 119.7° |
| C11 | N04 | C05 | 116.9° | 111.5° |
| N04 | C11 | C13 | 115.8° | 109.4° |
| N04 | C11 | H111 | 107.9° | 109.5° |
| N04 | C11 | H112 | 107.9° | 109.5° |
| N04 | C05 | C06 | 108.6° | 111.0° |
| N04 | C05 | C08 | 113.5° | 109.5° |
| N04 | C05 | H051 | 109.2° | 108.6° |
| C23 | C19 | C18 | 112.4° | 109.5° |
| C23 | C19 | H191 | 107.6° | 109.5° |
| C19 | C23 | H233 | 109.5° | 109.5° |
| C19 | C23 | H231 | 109.5° | 109.5° |
| C19 | C23 | H232 | 109.5° | 109.5° |
| C19 | C18 | C13 | 113.4° | 109.4° |
| C19 | C18 | H181 | 108.5° | 109.5° |
| C19 | C18 | H182 | 108.5° | 109.5° |
| C18 | C19 | H191 | 107.6° | 109.5° |
| C11 | C13 | C18 | 108.8° | 109.7° |
| C11 | C13 | C10 | 114.4° | 108.2° |
| C13 | C11 | H111 | 107.9° | 109.5° |
| C13 | C11 | H112 | 107.9° | 109.4° |
| C11 | C13 | H131 | 107.4° | 109.7° |
| O02 | C17 | C15 | 119.9° | 120.2° |
| C17 | C15 | C09 | 120.2° | 119.8° |
| C17 | C15 | O01 | 120.2° | 120.2° |
| C05 | C06 | C09 | 122.5° | 118.3° |
| C06 | C05 | C08 | 111.3° | 109.2° |
| C06 | C05 | H051 | 107.5° | 109.3° |
| C06 | C09 | C15 | 119.4° | 120.4° |
| C06 | C09 | H091 | 120.3° | 119.8° |
| C18 | C13 | C10 | 109.6° | 109.7° |
| C18 | C13 | H131 | 108.1° | 109.8° |
| C13 | C18 | H181 | 108.5° | 109.4° |
| C13 | C18 | H182 | 108.5° | 109.4° |
| C05 | C08 | C10 | 111.3° | 108.3° |
| C08 | C05 | H051 | 106.6° | 109.2° |
| C05 | C08 | H082 | 109.0° | 109.7° |
| C05 | C08 | H081 | 109.0° | 109.7° |
| C13 | C10 | C08 | 112.3° | 117.8° |
| C13 | C10 | O03 | 123.9° | 121.1° |
| C10 | C13 | H131 | 108.4° | 109.6° |
| C09 | C15 | O01 | 119.5° | 120.1° |
| C15 | C09 | H091 | 120.3° | 119.8° |
| C15 | O01 | C20 | 114.0° | 117.1° |
| C08 | C10 | O03 | 123.8° | 121.2° |
| C10 | C08 | H082 | 109.0° | 109.7° |
| C10 | C08 | H081 | 109.0° | 109.7° |
| O01 | C20 | H201 | 109.5° | 109.5° |
| O01 | C20 | H202 | 109.4° | 109.5° |
| O01 | C20 | H203 | 109.5° | 109.5° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H121 | C12 | H122 | 109.5° | 109.6° |
| H142 | C14 | H141 | 109.4° | 109.4° |
| H082 | C08 | H081 | 109.5° | 109.7° |
| H181 | C18 | H182 | 109.4° | 109.5° |
| H201 | C20 | H202 | 109.5° | 109.4° |
| H201 | C20 | H203 | 109.5° | 109.4° |
| H202 | C20 | H203 | 109.5° | 109.5° |
| H213 | C21 | H211 | 109.5° | 109.4° |
| H213 | C21 | H212 | 109.5° | 109.4° |
| H211 | C21 | H212 | 109.5° | 109.5° |
| H221 | C22 | H223 | 109.5° | 109.5° |
| H221 | C22 | H222 | 109.5° | 109.4° |
| H223 | C22 | H222 | 109.4° | 109.5° |
| H233 | C23 | H231 | 109.5° | 109.4° |
| H233 | C23 | H232 | 109.5° | 109.4° |
| H231 | C23 | H232 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C14 | C07 | H142 | 120.5° | 120.1° |
| C12 | C14 | C07 | H141 | 120.5° | 120.0° |
| C14 | C12 | N04 | H121 | 120.4° | 119.8° |
| C14 | C12 | N04 | H122 | 120.4° | 119.9° |
| C12 | C14 | C07 | C16 | 156.5° | 161.8° |
| C12 | C14 | C07 | C06 | 23.5° | 18.2° |
| C14 | C12 | N04 | C11 | 172.7° | 165.3° |
| C14 | C12 | N04 | C05 | 45.0° | 70.6° |
| C14 | C12 | H121 | H122 | 118.7° | 120.2° |
| C12 | C14 | H142 | H141 | 118.6° | 119.9° |
| C07 | C14 | C12 | N04 | 1.7° | 51.5° |
| C14 | C07 | C16 | C06 | 180.0° | 180.0° |
| C14 | C07 | C16 | C17 | 179.8° | 179.9° |
| C14 | C07 | C06 | C05 | 0.1° | 0.2° |
| C14 | C07 | C06 | C09 | 179.7° | 179.9° |
| C07 | C14 | C12 | H121 | 122.1° | 68.3° |
| C07 | C14 | C12 | H122 | 118.7° | 171.5° |
| C07 | C14 | H142 | H141 | 118.6° | 119.8° |
| C14 | C07 | C16 | H161 | 0.2° | 0.1° |
| C12 | N04 | C11 | C05 | 141.2° | 123.6° |
| C12 | N04 | C11 | C13 | 112.6° | 170.7° |
| C12 | N04 | C05 | C06 | 71.1° | 50.1° |
| C12 | N04 | C05 | C08 | 164.5° | 170.7° |
| C12 | N04 | C11 | H111 | 8.4° | 50.8° |
| C12 | N04 | C11 | H112 | 126.5° | 69.3° |
| N04 | C12 | H121 | H122 | 118.7° | 120.4° |
| N04 | C12 | C14 | H142 | 122.2° | 68.7° |
| N04 | C12 | C14 | H141 | 118.7° | 171.4° |
| C12 | N04 | C05 | H051 | 45.8° | 70.1° |
| C21 | O02 | C17 | C16 | 35.1° | 0.0° |
| C21 | O02 | C17 | C15 | 145.3° | 179.9° |
| O02 | C21 | H213 | H211 | 120.0° | 120.0° |
| O02 | C21 | H213 | H212 | 120.0° | 120.0° |
| O02 | C21 | H211 | H212 | 120.0° | 120.1° |
| C22 | C19 | C23 | C18 | 124.5° | 120.0° |
| C22 | C19 | C23 | H191 | 117.2° | 120.0° |
| C22 | C19 | C18 | H191 | 117.5° | 120.0° |
| C22 | C19 | C18 | C13 | 175.3° | 175.0° |
| C22 | C19 | C18 | H181 | 54.7° | 55.0° |
| C22 | C19 | C18 | H182 | 64.1° | 65.1° |
| C19 | C22 | H221 | H223 | 120.0° | 120.0° |
| C19 | C22 | H221 | H222 | 120.0° | 120.0° |
| C19 | C22 | H223 | H222 | 120.0° | 120.1° |
| C22 | C19 | C23 | H233 | 180.0° | 60.0° |
| C22 | C19 | C23 | H231 | 60.0° | 60.0° |
| C22 | C19 | C23 | H232 | 60.0° | 180.0° |
| C07 | C16 | C17 | H161 | 180.0° | 180.0° |
| C07 | C16 | C17 | O02 | 179.7° | 180.0° |
| C07 | C16 | C17 | C15 | 0.1° | 0.0° |
| C16 | C07 | C06 | C05 | 180.0° | 179.8° |
| C16 | C07 | C06 | C09 | 0.3° | 0.2° |
| C16 | C07 | C14 | H142 | 36.0° | 78.1° |
| C16 | C07 | C14 | H141 | 83.1° | 41.8° |
| C17 | C16 | C07 | C06 | 0.2° | 0.2° |
| C16 | C17 | O02 | C15 | 179.6° | 179.9° |
| C16 | C17 | C15 | C09 | 0.3° | 0.1° |
| C16 | C17 | C15 | O01 | 179.9° | 179.9° |
| C07 | C06 | C05 | N04 | 46.1° | 15.5° |
| C07 | C06 | C05 | C09 | 179.7° | 179.9° |
| C07 | C06 | C05 | C08 | 171.7° | 136.3° |
| C07 | C06 | C09 | C15 | 0.1° | 0.1° |
| C06 | C07 | C14 | H142 | 144.0° | 101.9° |
| C06 | C07 | C14 | H141 | 97.0° | 138.2° |
| C06 | C07 | C16 | H161 | 179.8° | 179.9° |
| C07 | C06 | C05 | H051 | 71.9° | 104.3° |
| C07 | C06 | C09 | H091 | 179.9° | 179.9° |
| N04 | C11 | C13 | H111 | 120.9° | 120.0° |
| N04 | C11 | C13 | H112 | 120.9° | 120.0° |
| C11 | N04 | C05 | C06 | 146.2° | 173.7° |
| N04 | C11 | C13 | C18 | 76.5° | 173.5° |
| C11 | N04 | C05 | C08 | 21.9° | 65.6° |
| N04 | C11 | C13 | C10 | 46.5° | 53.7° |
| N04 | C11 | H111 | H112 | 117.1° | 120.1° |
| C11 | N04 | C12 | H121 | 66.9° | 74.9° |
| C11 | N04 | C12 | H122 | 52.3° | 45.4° |
| N04 | C11 | C13 | H131 | 166.8° | 65.8° |
| C11 | N04 | C05 | H051 | 96.8° | 53.5° |
| C05 | N04 | C11 | C13 | 28.6° | 65.6° |
| N04 | C05 | C06 | C08 | 125.6° | 120.9° |
| N04 | C05 | C06 | H051 | 118.0° | 119.8° |
| N04 | C05 | C06 | C09 | 133.6° | 164.6° |
| N04 | C05 | C08 | H051 | 120.2° | 118.8° |
| N04 | C05 | C08 | C10 | 60.0° | 53.8° |
| C05 | N04 | C11 | H111 | 149.6° | 174.4° |
| C05 | N04 | C11 | H112 | 92.3° | 54.3° |
| C05 | N04 | C12 | H121 | 75.4° | 49.2° |
| C05 | N04 | C12 | H122 | 165.4° | 169.5° |
| N04 | C05 | C08 | H082 | 60.3° | 173.5° |
| N04 | C05 | C08 | H081 | 179.8° | 65.8° |
| C23 | C19 | C18 | H191 | 118.2° | 120.0° |
| C23 | C19 | C18 | C13 | 60.4° | 65.0° |
| C23 | C19 | C18 | H181 | 179.0° | 175.0° |
| C23 | C19 | C18 | H182 | 60.2° | 54.9° |
| C23 | C19 | C22 | H221 | 180.0° | 60.0° |
| C23 | C19 | C22 | H223 | 60.0° | 180.0° |
| C23 | C19 | C22 | H222 | 60.0° | 60.0° |
| C19 | C23 | H233 | H231 | 120.0° | 120.0° |
| C19 | C23 | H233 | H232 | 120.0° | 120.0° |
| C19 | C23 | H231 | H232 | 120.0° | 120.0° |
| C19 | C18 | C13 | C11 | 76.4° | 175.0° |
| C19 | C18 | C13 | H181 | 120.6° | 120.0° |
| C19 | C18 | C13 | H182 | 120.6° | 119.9° |
| C19 | C18 | C13 | C10 | 157.9° | 66.2° |
| C19 | C18 | C13 | H131 | 39.9° | 54.3° |
| C19 | C18 | H181 | H182 | 118.2° | 120.1° |
| C18 | C19 | C22 | H221 | 54.6° | 180.0° |
| C18 | C19 | C22 | H223 | 174.7° | 60.0° |
| C18 | C19 | C22 | H222 | 65.4° | 60.1° |
| C18 | C19 | C23 | H233 | 55.4° | 180.0° |
| C18 | C19 | C23 | H231 | 64.5° | 60.0° |
| C18 | C19 | C23 | H232 | 175.5° | 60.0° |
| C11 | C13 | C18 | C10 | 125.8° | 118.8° |
| C11 | C13 | C18 | H131 | 116.3° | 120.7° |
| C11 | C13 | C10 | H131 | 119.7° | 119.6° |
| C11 | C13 | C10 | C08 | 7.8° | 48.7° |
| C11 | C13 | C10 | O03 | 172.2° | 130.9° |
| C13 | C11 | H111 | H112 | 117.1° | 120.0° |
| C11 | C13 | C18 | H181 | 44.2° | 65.0° |
| C11 | C13 | C18 | H182 | 163.0° | 55.0° |
| O02 | C17 | C15 | C09 | 179.9° | 179.9° |
| O02 | C17 | C15 | O01 | 0.5° | 0.2° |
| O02 | C17 | C16 | H161 | 0.3° | 0.1° |
| C17 | O02 | C21 | H213 | 180.0° | 180.0° |
| C17 | O02 | C21 | H211 | 60.0° | 60.0° |
| C17 | O02 | C21 | H212 | 60.0° | 60.0° |
| C17 | C15 | C09 | C06 | 0.2° | 0.0° |
| C17 | C15 | C09 | O01 | 179.6° | 180.0° |
| C17 | C15 | O01 | C20 | 124.3° | 179.9° |
| C15 | C17 | C16 | H161 | 179.9° | 180.0° |
| C17 | C15 | C09 | H091 | 179.8° | 180.0° |
| C06 | C05 | C08 | H051 | 116.9° | 119.4° |
| C05 | C06 | C09 | C15 | 179.8° | 179.9° |
| C06 | C05 | C08 | C10 | 177.1° | 175.6° |
| C06 | C05 | C08 | H082 | 62.6° | 64.7° |
| C06 | C05 | C08 | H081 | 56.9° | 56.0° |
| C05 | C06 | C09 | H091 | 0.1° | 0.2° |
| C09 | C06 | C05 | C08 | 8.0° | 43.7° |
| C06 | C09 | C15 | H091 | 180.0° | 179.9° |
| C06 | C09 | C15 | O01 | 179.8° | 179.9° |
| C09 | C06 | C05 | H051 | 108.3° | 75.6° |
| C18 | C13 | C10 | H131 | 117.7° | 120.6° |
| C18 | C13 | C10 | C08 | 114.7° | 168.5° |
| C18 | C13 | C10 | O03 | 65.3° | 11.1° |
| C18 | C13 | C11 | H111 | 44.4° | 66.5° |
| C18 | C13 | C11 | H112 | 162.6° | 53.5° |
| C13 | C18 | H181 | H182 | 118.2° | 120.0° |
| C13 | C18 | C19 | H191 | 57.8° | 55.0° |
| C05 | C08 | C10 | C13 | 40.1° | 48.7° |
| C05 | C08 | C10 | H082 | 120.3° | 119.7° |
| C05 | C08 | C10 | H081 | 120.3° | 119.7° |
| C05 | C08 | C10 | O03 | 139.9° | 130.9° |
| C05 | C08 | H082 | H081 | 119.2° | 120.6° |
| C13 | C10 | C08 | O03 | 180.0° | 179.6° |
| C10 | C13 | C11 | H111 | 167.4° | 173.7° |
| C10 | C13 | C11 | H112 | 74.5° | 66.2° |
| C13 | C10 | C08 | H082 | 80.2° | 168.4° |
| C13 | C10 | C08 | H081 | 160.3° | 71.1° |
| C10 | C13 | C18 | H181 | 81.6° | 53.8° |
| C10 | C13 | C18 | H182 | 37.3° | 173.8° |
| C09 | C15 | O01 | C20 | 56.0° | 0.0° |
| O01 | C15 | C09 | H091 | 0.2° | 0.0° |
| C15 | O01 | C20 | H201 | 180.0° | 180.0° |
| C15 | O01 | C20 | H202 | 60.0° | 60.0° |
| C15 | O01 | C20 | H203 | 60.0° | 60.0° |
| C08 | C10 | C13 | H131 | 127.5° | 70.9° |
| C10 | C08 | C05 | H051 | 60.3° | 65.0° |
| C10 | C08 | H082 | H081 | 119.1° | 120.5° |
| O03 | C10 | C13 | H131 | 52.4° | 109.5° |
| O03 | C10 | C08 | H082 | 99.8° | 11.2° |
| O03 | C10 | C08 | H081 | 19.7° | 109.3° |
| O01 | C20 | H201 | H202 | 120.0° | 120.0° |
| O01 | C20 | H201 | H203 | 120.0° | 120.1° |
| O01 | C20 | H202 | H203 | 120.0° | 120.0° |
| H111 | C11 | C13 | H131 | 72.3° | 54.2° |
| H112 | C11 | C13 | H131 | 45.8° | 174.2° |
| H121 | C12 | C14 | H142 | 117.4° | 171.4° |
| H121 | C12 | C14 | H141 | 1.7° | 51.6° |
| H122 | C12 | C14 | H142 | 1.8° | 51.2° |
| H122 | C12 | C14 | H141 | 120.9° | 68.6° |
| H131 | C13 | C18 | H181 | 160.5° | 174.4° |
| H131 | C13 | C18 | H182 | 80.7° | 65.6° |
| H051 | C05 | C08 | H082 | 179.5° | 54.7° |
| H051 | C05 | C08 | H081 | 60.0° | 175.4° |
| H181 | C18 | C19 | H191 | 62.8° | 64.9° |
| H182 | C18 | C19 | H191 | 178.4° | 175.0° |
| H191 | C19 | C22 | H221 | 62.8° | 60.0° |
| H191 | C19 | C22 | H223 | 57.2° | 60.0° |
| H191 | C19 | C22 | H222 | 177.2° | 180.0° |
| H191 | C19 | C23 | H233 | 62.8° | 60.0° |
| H191 | C19 | C23 | H231 | 177.2° | 180.0° |
| H191 | C19 | C23 | H232 | 57.2° | 60.0° |
| H201 | C20 | H202 | H203 | 120.0° | 119.9° |
| H213 | C21 | H211 | H212 | 120.0° | 119.9° |
| H221 | C22 | H223 | H222 | 120.0° | 120.0° |
| H233 | C23 | H231 | H232 | 120.0° | 120.0° |
