RNC
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C14 | C13 | sing | 1.54Å | 1.48Å | |
C14 | N11 | sing | 1.48Å | 1.47Å | |
O10 | C09 | doub | 1.22Å | 1.18Å | |
N16 | O17 | sing | 1.21Å | 1.32Å | Aromatic |
N16 | C15 | doub | 1.30Å | 1.33Å | Aromatic |
C13 | C15 | sing | 1.51Å | 1.50Å | |
C13 | C12 | sing | 1.54Å | 1.49Å | |
O17 | C18 | sing | 1.34Å | 1.31Å | Aromatic |
C15 | N20 | sing | 1.34Å | 1.34Å | Aromatic |
N11 | C09 | sing | 1.35Å | 1.42Å | |
N11 | C12 | sing | 1.48Å | 1.48Å | |
C09 | C06 | sing | 1.48Å | 1.51Å | |
C18 | N20 | doub | 1.32Å | 1.33Å | Aromatic |
C18 | O19 | sing | 1.35Å | 1.38Å | |
C07 | C06 | doub | 1.39Å | 1.38Å | Aromatic |
C07 | N08 | sing | 1.32Å | 1.31Å | Aromatic |
C06 | N05 | sing | 1.33Å | 1.31Å | Aromatic |
N08 | C03 | doub | 1.33Å | 1.31Å | Aromatic |
N05 | C04 | doub | 1.31Å | 1.31Å | Aromatic |
C03 | C04 | sing | 1.40Å | 1.39Å | Aromatic |
C03 | N02 | sing | 1.38Å | 1.43Å | |
C01 | N02 | sing | 1.46Å | 1.45Å | |
C14 | H142 | sing | 1.09Å | 1.10Å | |
C14 | H141 | sing | 1.09Å | 1.10Å | |
C13 | H131 | sing | 1.09Å | 1.10Å | |
C12 | H122 | sing | 1.09Å | 1.10Å | |
C12 | H121 | sing | 1.09Å | 1.10Å | |
C01 | H013 | sing | 1.09Å | 1.10Å | |
C01 | H011 | sing | 1.09Å | 1.10Å | |
C01 | H012 | sing | 1.09Å | 1.10Å | |
C04 | H041 | sing | 1.08Å | 1.08Å | |
C07 | H071 | sing | 1.08Å | 1.08Å | |
N02 | H021 | sing | 0.97Å | 1.00Å | |
O19 | H191 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C13 | C14 | N11 | 86.5° | 86.1° |
C14 | C13 | C15 | 122.9° | 113.8° |
C14 | C13 | C12 | 89.9° | 86.3° |
C13 | C14 | H142 | 114.9° | 113.7° |
C13 | C14 | H141 | 114.9° | 113.8° |
C14 | C13 | H131 | 110.6° | 113.7° |
C14 | N11 | C09 | 131.4° | 134.5° |
C14 | N11 | C12 | 90.4° | 91.0° |
N11 | C14 | H142 | 114.9° | 113.8° |
N11 | C14 | H141 | 114.9° | 113.8° |
O10 | C09 | N11 | 117.9° | 120.0° |
O10 | C09 | C06 | 123.6° | 120.0° |
O17 | N16 | C15 | 105.9° | 110.4° |
N16 | O17 | C18 | 109.6° | 109.8° |
N16 | C15 | C13 | 126.6° | 126.2° |
N16 | C15 | N20 | 110.1° | 107.5° |
C15 | C13 | C12 | 110.6° | 113.8° |
C13 | C15 | N20 | 123.3° | 126.3° |
C15 | C13 | H131 | 110.4° | 112.9° |
C13 | C12 | N11 | 85.7° | 86.1° |
C12 | C13 | H131 | 110.5° | 113.9° |
C13 | C12 | H122 | 115.1° | 113.8° |
C13 | C12 | H121 | 115.1° | 113.8° |
O17 | C18 | N20 | 108.8° | 106.7° |
O17 | C18 | O19 | 124.4° | 126.7° |
C15 | N20 | C18 | 105.6° | 105.6° |
C09 | N11 | C12 | 138.1° | 134.5° |
N11 | C09 | C06 | 118.3° | 120.0° |
N11 | C12 | H122 | 115.0° | 113.8° |
N11 | C12 | H121 | 115.0° | 113.9° |
C09 | C06 | C07 | 117.8° | 120.0° |
C09 | C06 | N05 | 120.6° | 120.0° |
N20 | C18 | O19 | 126.8° | 126.7° |
C18 | O19 | H191 | 109.5° | 114.0° |
C06 | C07 | N08 | 120.1° | 119.9° |
C07 | C06 | N05 | 121.6° | 120.1° |
C06 | C07 | H071 | 119.9° | 120.0° |
C07 | N08 | C03 | 119.0° | 120.0° |
N08 | C07 | H071 | 119.9° | 120.0° |
C06 | N05 | C04 | 117.6° | 120.0° |
N08 | C03 | C04 | 120.5° | 120.0° |
N08 | C03 | N02 | 116.3° | 120.0° |
N05 | C04 | C03 | 121.1° | 120.0° |
N05 | C04 | H041 | 119.5° | 120.0° |
C04 | C03 | N02 | 123.1° | 120.0° |
C03 | C04 | H041 | 119.4° | 120.0° |
C03 | N02 | C01 | 116.7° | 119.9° |
C03 | N02 | H021 | 107.6° | 120.1° |
N02 | C01 | H013 | 109.5° | 109.5° |
N02 | C01 | H011 | 109.4° | 109.5° |
N02 | C01 | H012 | 109.4° | 109.5° |
C01 | N02 | H021 | 107.6° | 120.0° |
H142 | C14 | H141 | 109.5° | 113.1° |
H122 | C12 | H121 | 109.4° | 112.9° |
H013 | C01 | H011 | 109.4° | 109.5° |
H013 | C01 | H012 | 109.5° | 109.5° |
H011 | C01 | H012 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C13 | C14 | N11 | H142 | 115.8° | 114.3° |
C13 | C14 | N11 | H141 | 115.9° | 114.3° |
C14 | C13 | C15 | N16 | 116.3° | 60.5° |
C14 | C13 | C15 | C12 | 103.9° | 96.7° |
C14 | C13 | C15 | H131 | 133.5° | 131.5° |
C14 | C13 | C12 | H131 | 112.0° | 114.3° |
C14 | C13 | C15 | N20 | 62.2° | 119.9° |
C13 | C14 | N11 | C09 | 158.3° | 155.4° |
C13 | C14 | N11 | C12 | 20.7° | 24.6° |
C13 | C14 | H142 | H141 | 131.0° | 131.8° |
C14 | C13 | C12 | H122 | 136.1° | 137.9° |
C14 | C13 | C12 | H121 | 95.3° | 90.8° |
C14 | N11 | C09 | O10 | 1.6° | 0.0° |
N11 | C14 | C13 | C15 | 135.3° | 138.0° |
C14 | N11 | C09 | C12 | 178.4° | 180.0° |
C14 | N11 | C09 | C06 | 176.8° | 180.0° |
N11 | C14 | H142 | H141 | 131.0° | 131.7° |
N11 | C14 | C13 | H131 | 91.3° | 90.9° |
C14 | N11 | C12 | H122 | 136.3° | 138.9° |
C14 | N11 | C12 | H121 | 95.2° | 89.7° |
O10 | C09 | N11 | C06 | 175.1° | 180.0° |
O10 | C09 | N11 | C12 | 176.8° | 180.0° |
O10 | C09 | C06 | C07 | 22.1° | 0.5° |
O10 | C09 | C06 | N05 | 159.4° | 180.0° |
O17 | N16 | C15 | C13 | 178.8° | 180.0° |
O17 | N16 | C15 | N20 | 0.1° | 0.4° |
N16 | O17 | C18 | N20 | 0.3° | 0.0° |
N16 | O17 | C18 | O19 | 179.3° | 179.7° |
N16 | C15 | C13 | N20 | 178.5° | 179.6° |
N16 | C15 | C13 | C12 | 139.8° | 36.3° |
C15 | N16 | O17 | C18 | 0.1° | 0.2° |
N16 | C15 | N20 | C18 | 0.3° | 0.3° |
N16 | C15 | C13 | H131 | 17.2° | 168.0° |
C15 | C13 | C12 | H131 | 122.5° | 131.3° |
C15 | C13 | C12 | N11 | 145.8° | 138.0° |
C13 | C15 | N20 | C18 | 179.1° | 180.0° |
C15 | C13 | C14 | H142 | 19.4° | 23.7° |
C15 | C13 | C14 | H141 | 108.9° | 107.7° |
C15 | C13 | C12 | H122 | 98.5° | 107.7° |
C15 | C13 | C12 | H121 | 30.1° | 23.6° |
C12 | C13 | C15 | N20 | 41.7° | 143.3° |
C13 | C12 | N11 | C09 | 158.3° | 155.4° |
C13 | C12 | N11 | H122 | 115.7° | 114.3° |
C13 | C12 | N11 | H121 | 115.7° | 114.3° |
C12 | C13 | C14 | H142 | 95.2° | 90.7° |
C12 | C13 | C14 | H141 | 136.4° | 137.9° |
C13 | C12 | H122 | H121 | 131.4° | 131.7° |
O17 | C18 | N20 | C15 | 0.4° | 0.2° |
O17 | C18 | N20 | O19 | 179.6° | 179.8° |
O17 | C18 | O19 | H191 | 0.0° | 90.3° |
C15 | N20 | C18 | O19 | 179.2° | 180.0° |
N20 | C15 | C13 | H131 | 164.3° | 11.6° |
N11 | C09 | C06 | C07 | 152.7° | 179.5° |
N11 | C09 | C06 | N05 | 25.8° | 0.0° |
C09 | N11 | C14 | H142 | 85.9° | 90.3° |
C09 | N11 | C14 | H141 | 42.4° | 41.1° |
C09 | N11 | C12 | H122 | 42.5° | 41.1° |
C09 | N11 | C12 | H121 | 86.0° | 90.3° |
C12 | N11 | C09 | C06 | 1.7° | 0.0° |
C12 | N11 | C14 | H142 | 95.2° | 89.6° |
C12 | N11 | C14 | H141 | 136.5° | 139.0° |
N11 | C12 | C13 | H131 | 91.6° | 90.7° |
N11 | C12 | H122 | H121 | 131.3° | 131.8° |
C09 | C06 | C07 | N05 | 178.5° | 179.5° |
C09 | C06 | C07 | N08 | 177.2° | 179.8° |
C09 | C06 | N05 | C04 | 178.2° | 180.0° |
C09 | C06 | C07 | H071 | 2.8° | 0.5° |
N20 | C18 | O19 | H191 | 179.5° | 90.0° |
C06 | C07 | N08 | H071 | 180.0° | 179.3° |
C06 | C07 | N08 | C03 | 1.2° | 0.5° |
C07 | C06 | N05 | C04 | 0.2° | 0.5° |
N08 | C07 | C06 | N05 | 1.3° | 0.8° |
C07 | N08 | C03 | C04 | 0.1° | 0.1° |
C07 | N08 | C03 | N02 | 179.6° | 179.7° |
C06 | N05 | C04 | C03 | 0.9° | 0.0° |
C06 | N05 | C04 | H041 | 179.1° | 180.0° |
N05 | C06 | C07 | H071 | 178.7° | 180.0° |
N08 | C03 | C04 | N05 | 1.0° | 0.3° |
N08 | C03 | C04 | N02 | 179.7° | 179.6° |
N08 | C03 | N02 | C01 | 14.4° | 179.7° |
N08 | C03 | C04 | H041 | 179.0° | 179.7° |
C03 | N08 | C07 | H071 | 178.8° | 179.7° |
N08 | C03 | N02 | H021 | 135.5° | 0.3° |
N05 | C04 | C03 | H041 | 180.0° | 180.0° |
N05 | C04 | C03 | N02 | 179.3° | 180.0° |
C04 | C03 | N02 | C01 | 165.9° | 0.1° |
C04 | C03 | N02 | H021 | 44.9° | 180.0° |
C03 | N02 | C01 | H021 | 121.0° | 180.0° |
C03 | N02 | C01 | H013 | 180.0° | 60.0° |
C03 | N02 | C01 | H011 | 60.0° | 60.1° |
C03 | N02 | C01 | H012 | 60.0° | 180.0° |
N02 | C03 | C04 | H041 | 0.7° | 0.1° |
N02 | C01 | H013 | H011 | 120.0° | 120.0° |
N02 | C01 | H013 | H012 | 120.0° | 120.0° |
N02 | C01 | H011 | H012 | 120.0° | 120.0° |
H142 | C14 | C13 | H131 | 152.9° | 154.8° |
H141 | C14 | C13 | H131 | 24.5° | 23.4° |
H131 | C13 | C12 | H122 | 24.1° | 23.6° |
H131 | C13 | C12 | H121 | 152.7° | 154.8° |
H013 | C01 | H011 | H012 | 120.0° | 120.0° |
H013 | C01 | N02 | H021 | 59.0° | 120.0° |
H011 | C01 | N02 | H021 | 179.0° | 120.0° |
H012 | C01 | N02 | H021 | 61.0° | 0.0° |