ZPC
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C01 | N02 | sing | 1.47Å | 1.44Å | |
N02 | C03 | sing | 1.47Å | 1.44Å | |
N02 | C07 | sing | 1.47Å | 1.46Å | |
C03 | C04 | sing | 1.53Å | 1.47Å | |
C04 | N05 | sing | 1.47Å | 1.45Å | |
N05 | C06 | sing | 1.47Å | 1.40Å | |
N05 | C08 | sing | 1.35Å | 1.45Å | |
C06 | C07 | sing | 1.53Å | 1.50Å | |
C08 | O09 | doub | 1.21Å | 1.21Å | |
C08 | O10 | sing | 1.35Å | 1.41Å | |
O10 | C11 | sing | 1.45Å | 1.45Å | |
C11 | N12 | sing | 1.47Å | 1.46Å | |
C11 | C20 | sing | 1.51Å | 1.53Å | |
N12 | C13 | sing | 1.34Å | 1.48Å | |
N12 | C21 | sing | 1.39Å | 1.50Å | |
C13 | O14 | doub | 1.22Å | 1.23Å | |
C13 | C15 | sing | 1.48Å | 1.46Å | |
C15 | N16 | doub | 1.33Å | 1.35Å | Aromatic |
C15 | C20 | sing | 1.40Å | 1.41Å | Aromatic |
N16 | C17 | sing | 1.32Å | 1.33Å | Aromatic |
C17 | C18 | doub | 1.39Å | 1.43Å | Aromatic |
C18 | N19 | sing | 1.32Å | 1.33Å | Aromatic |
N19 | C20 | doub | 1.32Å | 1.39Å | Aromatic |
C21 | N22 | doub | 1.32Å | 1.36Å | Aromatic |
C21 | C27 | sing | 1.39Å | 1.40Å | Aromatic |
N22 | C23 | sing | 1.32Å | 1.37Å | Aromatic |
C23 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
C24 | CL | sing | 1.74Å | 1.74Å | |
C24 | C26 | sing | 1.39Å | 1.42Å | Aromatic |
C26 | C27 | doub | 1.38Å | 1.43Å | Aromatic |
C01 | H01 | sing | 1.09Å | 1.10Å | |
C01 | H01A | sing | 1.09Å | 1.10Å | |
C01 | H01B | sing | 1.09Å | 1.10Å | |
C03 | H03 | sing | 1.09Å | 1.10Å | |
C03 | H03A | sing | 1.09Å | 1.10Å | |
C04 | H04 | sing | 1.09Å | 1.10Å | |
C04 | H04A | sing | 1.09Å | 1.10Å | |
C06 | H06 | sing | 1.09Å | 1.10Å | |
C06 | H06A | sing | 1.09Å | 1.10Å | |
C07 | H07 | sing | 1.09Å | 1.10Å | |
C07 | H07A | sing | 1.09Å | 1.10Å | |
C11 | H11 | sing | 1.09Å | 1.10Å | |
C17 | H17 | sing | 1.08Å | 1.08Å | |
C18 | H18 | sing | 1.08Å | 1.08Å | |
C23 | H23 | sing | 1.08Å | 1.08Å | |
C26 | H26 | sing | 1.08Å | 1.08Å | |
C27 | H27 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C01 | N02 | C03 | 111.1° | 111.0° |
C01 | N02 | C07 | 121.4° | 111.0° |
N02 | C01 | H01 | 109.5° | 109.5° |
N02 | C01 | H01A | 109.5° | 109.5° |
N02 | C01 | H01B | 109.5° | 109.5° |
C03 | N02 | C07 | 116.3° | 111.3° |
N02 | C03 | C04 | 109.0° | 109.3° |
N02 | C03 | H03 | 109.6° | 109.5° |
N02 | C03 | H03A | 109.6° | 109.5° |
N02 | C07 | C06 | 118.3° | 109.4° |
N02 | C07 | H07 | 107.2° | 109.5° |
N02 | C07 | H07A | 107.2° | 109.5° |
C03 | C04 | N05 | 118.3° | 108.6° |
C04 | C03 | H03 | 109.6° | 109.5° |
C04 | C03 | H03A | 109.6° | 109.5° |
C03 | C04 | H04 | 107.2° | 109.6° |
C03 | C04 | H04A | 107.2° | 109.6° |
C04 | N05 | C06 | 116.0° | 118.2° |
C04 | N05 | C08 | 102.1° | 120.9° |
N05 | C04 | H04 | 107.2° | 109.7° |
N05 | C04 | H04A | 107.2° | 109.6° |
C06 | N05 | C08 | 134.3° | 120.9° |
N05 | C06 | C07 | 106.4° | 108.5° |
N05 | C06 | H06 | 110.2° | 109.6° |
N05 | C06 | H06A | 110.2° | 109.6° |
N05 | C08 | O09 | 113.7° | 120.0° |
N05 | C08 | O10 | 125.5° | 120.0° |
C07 | C06 | H06 | 110.2° | 109.6° |
C07 | C06 | H06A | 110.3° | 109.7° |
C06 | C07 | H07 | 107.2° | 109.5° |
C06 | C07 | H07A | 107.2° | 109.5° |
O09 | C08 | O10 | 120.0° | 120.0° |
C08 | O10 | C11 | 123.6° | 117.0° |
O10 | C11 | N12 | 126.2° | 110.2° |
O10 | C11 | C20 | 111.7° | 110.1° |
O10 | C11 | H11 | 104.2° | 110.1° |
N12 | C11 | C20 | 104.8° | 106.3° |
C11 | N12 | C13 | 110.0° | 108.8° |
C11 | N12 | C21 | 126.2° | 125.6° |
N12 | C11 | H11 | 104.2° | 110.1° |
C11 | C20 | C15 | 108.6° | 106.4° |
C11 | C20 | N19 | 130.9° | 133.3° |
C20 | C11 | H11 | 103.5° | 110.1° |
C13 | N12 | C21 | 123.8° | 125.7° |
N12 | C13 | O14 | 141.1° | 124.9° |
N12 | C13 | C15 | 106.2° | 110.2° |
N12 | C21 | N22 | 122.3° | 119.6° |
N12 | C21 | C27 | 121.8° | 119.7° |
O14 | C13 | C15 | 112.7° | 124.9° |
C13 | C15 | N16 | 124.4° | 132.3° |
C13 | C15 | C20 | 110.4° | 108.3° |
N16 | C15 | C20 | 125.2° | 119.4° |
C15 | N16 | C17 | 112.9° | 119.9° |
C15 | C20 | N19 | 120.4° | 120.3° |
N16 | C17 | C18 | 123.8° | 120.3° |
N16 | C17 | H17 | 118.1° | 119.9° |
C17 | C18 | N19 | 122.8° | 120.1° |
C18 | C17 | H17 | 118.1° | 119.8° |
C17 | C18 | H18 | 118.6° | 120.0° |
C18 | N19 | C20 | 114.8° | 119.9° |
N19 | C18 | H18 | 118.6° | 120.0° |
N22 | C21 | C27 | 115.8° | 120.6° |
C21 | N22 | C23 | 127.3° | 121.7° |
C21 | C27 | C26 | 120.7° | 119.1° |
C21 | C27 | H27 | 119.6° | 120.4° |
N22 | C23 | C24 | 117.5° | 120.8° |
N22 | C23 | H23 | 121.2° | 119.6° |
C23 | C24 | CL | 119.1° | 120.3° |
C23 | C24 | C26 | 119.7° | 119.3° |
C24 | C23 | H23 | 121.3° | 119.6° |
CL | C24 | C26 | 121.2° | 120.4° |
C24 | C26 | C27 | 119.0° | 118.5° |
C24 | C26 | H26 | 120.5° | 120.7° |
C27 | C26 | H26 | 120.5° | 120.8° |
C26 | C27 | H27 | 119.7° | 120.4° |
H01 | C01 | H01A | 109.5° | 109.4° |
H01 | C01 | H01B | 109.5° | 109.5° |
H01A | C01 | H01B | 109.4° | 109.5° |
H03 | C03 | H03A | 109.5° | 109.5° |
H04 | C04 | H04A | 109.5° | 109.8° |
H06 | C06 | H06A | 109.5° | 109.8° |
H07 | C07 | H07A | 109.4° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C01 | N02 | C03 | C07 | 144.4° | 124.2° |
C01 | N02 | C03 | C04 | 105.5° | 172.8° |
C01 | N02 | C07 | C06 | 95.8° | 172.7° |
N02 | C01 | H01 | H01A | 120.0° | 120.0° |
N02 | C01 | H01 | H01B | 120.0° | 120.1° |
N02 | C01 | H01A | H01B | 120.0° | 120.0° |
C01 | N02 | C03 | H03 | 134.5° | 52.8° |
C01 | N02 | C03 | H03A | 14.4° | 67.3° |
C01 | N02 | C07 | H07 | 25.5° | 67.3° |
C01 | N02 | C07 | H07A | 143.0° | 52.8° |
N02 | C03 | C04 | H03 | 119.9° | 120.0° |
N02 | C03 | C04 | H03A | 119.9° | 119.9° |
N02 | C03 | C04 | N05 | 43.6° | 53.8° |
C03 | N02 | C07 | C06 | 44.8° | 63.1° |
C03 | N02 | C01 | H01 | 180.0° | 60.0° |
C03 | N02 | C01 | H01A | 60.0° | 179.9° |
C03 | N02 | C01 | H01B | 60.0° | 60.0° |
N02 | C03 | H03 | H03A | 120.2° | 120.1° |
N02 | C03 | C04 | H04 | 164.8° | 65.9° |
N02 | C03 | C04 | H04A | 77.7° | 173.5° |
C03 | N02 | C07 | H07 | 166.1° | 56.9° |
C03 | N02 | C07 | H07A | 76.5° | 177.0° |
C07 | N02 | C03 | C04 | 38.9° | 63.1° |
N02 | C07 | C06 | N05 | 47.1° | 53.8° |
N02 | C07 | C06 | H07 | 121.3° | 120.0° |
N02 | C07 | C06 | H07A | 121.3° | 120.0° |
C07 | N02 | C01 | H01 | 37.7° | 175.7° |
C07 | N02 | C01 | H01A | 82.4° | 55.7° |
C07 | N02 | C01 | H01B | 157.7° | 64.3° |
C07 | N02 | C03 | H03 | 81.0° | 177.0° |
C07 | N02 | C03 | H03A | 158.8° | 56.8° |
N02 | C07 | C06 | H06 | 166.7° | 65.9° |
N02 | C07 | C06 | H06A | 72.4° | 173.5° |
N02 | C07 | H07 | H07A | 116.0° | 120.1° |
C03 | C04 | N05 | H04 | 121.3° | 119.7° |
C03 | C04 | N05 | H04A | 121.3° | 119.7° |
C03 | C04 | N05 | C06 | 53.6° | 51.2° |
C03 | C04 | N05 | C08 | 152.3° | 128.8° |
C04 | C03 | H03 | H03A | 120.2° | 120.1° |
C03 | C04 | H04 | H04A | 116.0° | 120.4° |
C04 | N05 | C06 | C08 | 143.4° | 180.0° |
C04 | N05 | C06 | C07 | 49.8° | 51.2° |
C04 | N05 | C08 | O09 | 58.8° | 0.0° |
C04 | N05 | C08 | O10 | 131.5° | 180.0° |
N05 | C04 | C03 | H03 | 76.3° | 173.8° |
N05 | C04 | C03 | H03A | 163.5° | 66.1° |
N05 | C04 | H04 | H04A | 116.0° | 120.5° |
C04 | N05 | C06 | H06 | 169.3° | 68.6° |
C04 | N05 | C06 | H06A | 69.7° | 170.9° |
N05 | C06 | C07 | H06 | 119.5° | 119.7° |
N05 | C06 | C07 | H06A | 119.5° | 119.7° |
C06 | N05 | C08 | O09 | 154.4° | 180.0° |
C06 | N05 | C08 | O10 | 15.3° | 0.1° |
C06 | N05 | C04 | H04 | 174.8° | 68.6° |
C06 | N05 | C04 | H04A | 67.7° | 170.8° |
N05 | C06 | H06 | H06A | 121.4° | 120.4° |
N05 | C06 | C07 | H07 | 168.4° | 66.2° |
N05 | C06 | C07 | H07A | 74.1° | 173.8° |
C08 | N05 | C06 | C07 | 166.8° | 128.8° |
N05 | C08 | O09 | O10 | 170.3° | 180.0° |
N05 | C08 | O10 | C11 | 164.9° | 175.7° |
C08 | N05 | C04 | H04 | 31.1° | 111.5° |
C08 | N05 | C04 | H04A | 86.4° | 9.1° |
C08 | N05 | C06 | H06 | 47.3° | 111.5° |
C08 | N05 | C06 | H06A | 73.7° | 9.0° |
C07 | C06 | H06 | H06A | 121.4° | 120.6° |
C06 | C07 | H07 | H07A | 116.0° | 120.0° |
O09 | C08 | O10 | C11 | 26.0° | 4.3° |
C08 | O10 | C11 | N12 | 41.4° | 147.9° |
C08 | O10 | C11 | C20 | 87.7° | 95.2° |
C08 | O10 | C11 | H11 | 161.3° | 26.3° |
O10 | C11 | N12 | C20 | 131.8° | 119.2° |
O10 | C11 | N12 | H11 | 119.9° | 121.6° |
O10 | C11 | C20 | H11 | 111.5° | 121.5° |
O10 | C11 | N12 | C13 | 130.7° | 119.2° |
O10 | C11 | N12 | C21 | 47.5° | 60.8° |
O10 | C11 | C20 | C15 | 138.9° | 119.2° |
O10 | C11 | C20 | N19 | 40.6° | 60.8° |
N12 | C11 | C20 | H11 | 108.9° | 119.2° |
C11 | N12 | C13 | C21 | 178.3° | 180.0° |
C11 | N12 | C13 | O14 | 178.6° | 180.0° |
C11 | N12 | C13 | C15 | 1.1° | 0.0° |
N12 | C11 | C20 | C15 | 0.7° | 0.0° |
N12 | C11 | C20 | N19 | 179.8° | 180.0° |
C11 | N12 | C21 | N22 | 18.3° | 177.9° |
C11 | N12 | C21 | C27 | 165.1° | 1.9° |
C20 | C11 | N12 | C13 | 1.1° | 0.0° |
C20 | C11 | N12 | C21 | 179.3° | 180.0° |
C11 | C20 | C15 | C13 | 0.0° | 0.0° |
C11 | C20 | C15 | N16 | 179.8° | 180.0° |
C11 | C20 | C15 | N19 | 179.5° | 180.0° |
C11 | C20 | N19 | C18 | 178.6° | 180.0° |
N12 | C13 | O14 | C15 | 179.7° | 180.0° |
N12 | C13 | C15 | N16 | 179.1° | 180.0° |
N12 | C13 | C15 | C20 | 0.6° | 0.0° |
C13 | N12 | C21 | N22 | 159.7° | 2.2° |
C13 | N12 | C21 | C27 | 16.9° | 178.1° |
C13 | N12 | C11 | H11 | 109.5° | 119.3° |
C21 | N12 | C13 | O14 | 0.4° | 0.0° |
C21 | N12 | C13 | C15 | 179.4° | 180.0° |
N12 | C21 | N22 | C27 | 176.8° | 179.7° |
N12 | C21 | N22 | C23 | 177.1° | 179.9° |
N12 | C21 | C27 | C26 | 178.1° | 179.8° |
C21 | N12 | C11 | H11 | 72.3° | 60.8° |
N12 | C21 | C27 | H27 | 1.9° | 0.0° |
O14 | C13 | C15 | N16 | 1.1° | 0.1° |
O14 | C13 | C15 | C20 | 179.2° | 180.0° |
C13 | C15 | N16 | C20 | 179.7° | 180.0° |
C13 | C15 | N16 | C17 | 179.2° | 180.0° |
C13 | C15 | C20 | N19 | 179.6° | 180.0° |
C15 | N16 | C17 | C18 | 0.3° | 0.0° |
N16 | C15 | C20 | N19 | 0.7° | 0.0° |
C15 | N16 | C17 | H17 | 179.6° | 179.9° |
C20 | C15 | N16 | C17 | 0.5° | 0.0° |
C15 | C20 | N19 | C18 | 2.0° | 0.0° |
C15 | C20 | C11 | H11 | 109.6° | 119.2° |
N16 | C17 | C18 | H17 | 180.0° | 179.9° |
N16 | C17 | C18 | N19 | 1.1° | 0.0° |
N16 | C17 | C18 | H18 | 178.9° | 179.9° |
C17 | C18 | N19 | H18 | 180.0° | 179.9° |
C17 | C18 | N19 | C20 | 2.2° | 0.0° |
N19 | C18 | C17 | H17 | 178.9° | 179.9° |
N19 | C20 | C11 | H11 | 70.9° | 60.8° |
C20 | N19 | C18 | H18 | 177.8° | 179.9° |
C21 | N22 | C23 | C24 | 0.3° | 0.0° |
N22 | C21 | C27 | C26 | 1.3° | 0.5° |
C21 | N22 | C23 | H23 | 179.7° | 179.9° |
N22 | C21 | C27 | H27 | 178.7° | 179.7° |
C27 | C21 | N22 | C23 | 0.3° | 0.2° |
C21 | C27 | C26 | C24 | 1.7° | 0.5° |
C21 | C27 | C26 | H27 | 180.0° | 179.8° |
C21 | C27 | C26 | H26 | 178.3° | 179.8° |
N22 | C23 | C24 | H23 | 180.0° | 179.9° |
N22 | C23 | C24 | CL | 180.0° | 180.0° |
N22 | C23 | C24 | C26 | 0.1° | 0.0° |
C23 | C24 | CL | C26 | 179.9° | 180.0° |
C23 | C24 | C26 | C27 | 1.1° | 0.3° |
C23 | C24 | C26 | H26 | 178.9° | 179.9° |
CL | C24 | C26 | C27 | 179.0° | 179.7° |
CL | C24 | C23 | H23 | 0.0° | 0.1° |
CL | C24 | C26 | H26 | 1.0° | 0.1° |
C24 | C26 | C27 | H26 | 180.0° | 179.6° |
C26 | C24 | C23 | H23 | 179.9° | 179.9° |
C24 | C26 | C27 | H27 | 178.3° | 179.7° |
H01 | C01 | H01A | H01B | 120.0° | 120.0° |
H03 | C03 | C04 | H04 | 44.9° | 54.0° |
H03 | C03 | C04 | H04A | 162.4° | 66.5° |
H03A | C03 | C04 | H04 | 75.2° | 174.1° |
H03A | C03 | C04 | H04A | 42.2° | 53.6° |
H06 | C06 | C07 | H07 | 72.1° | 174.1° |
H06 | C06 | C07 | H07A | 45.4° | 54.1° |
H06A | C06 | C07 | H07 | 48.9° | 53.5° |
H06A | C06 | C07 | H07A | 166.3° | 66.5° |
H17 | C17 | C18 | H18 | 1.1° | 0.0° |
H26 | C26 | C27 | H27 | 1.7° | 0.0° |