LVY
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.53Å | 1.55Å | |
C1 | C6 | sing | 1.51Å | 1.51Å | |
C1 | N10 | sing | 1.47Å | 1.45Å | |
C2 | C3 | sing | 1.53Å | 1.54Å | |
C3 | C4 | sing | 1.51Å | 1.51Å | |
C4 | N5 | sing | 1.34Å | 1.36Å | |
C4 | O19 | doub | 1.21Å | 1.22Å | |
N5 | C6 | sing | 1.34Å | 1.36Å | |
C6 | O18 | doub | 1.21Å | 1.22Å | |
C7 | C8 | sing | 1.40Å | 1.40Å | Aromatic |
C7 | C11 | sing | 1.48Å | 1.51Å | |
C7 | C15 | doub | 1.40Å | 1.40Å | Aromatic |
C8 | C9 | sing | 1.51Å | 1.52Å | |
C8 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
C9 | N10 | sing | 1.47Å | 1.46Å | |
N10 | C11 | sing | 1.34Å | 1.36Å | |
C11 | O16 | doub | 1.21Å | 1.24Å | |
C12 | C13 | doub | 1.38Å | 1.42Å | Aromatic |
C12 | C15 | sing | 1.38Å | 1.41Å | Aromatic |
C13 | C14 | sing | 1.39Å | 1.41Å | Aromatic |
C14 | N17 | sing | 1.40Å | 1.36Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C2 | H21C | sing | 1.09Å | 1.10Å | |
C2 | H22C | sing | 1.09Å | 1.10Å | |
C3 | H31C | sing | 1.09Å | 1.10Å | |
C3 | H32C | sing | 1.09Å | 1.10Å | |
N5 | H5 | sing | 0.97Å | 1.00Å | |
C15 | H15 | sing | 1.08Å | 1.08Å | |
C9 | H91 | sing | 1.09Å | 1.10Å | |
C9 | H92 | sing | 1.09Å | 1.10Å | |
C12 | H12 | sing | 1.08Å | 1.08Å | |
C13 | H13 | sing | 1.08Å | 1.08Å | |
N17 | H171 | sing | 0.97Å | 1.00Å | |
N17 | H172 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | C6 | 109.3° | 109.2° |
C2 | C1 | N10 | 113.2° | 109.5° |
C1 | C2 | C3 | 109.1° | 108.6° |
C2 | C1 | H1 | 107.6° | 109.6° |
C1 | C2 | H21C | 109.6° | 109.6° |
C1 | C2 | H22C | 109.6° | 109.7° |
C6 | C1 | N10 | 109.6° | 109.5° |
C1 | C6 | N5 | 118.7° | 121.3° |
C1 | C6 | O18 | 118.5° | 119.4° |
C6 | C1 | H1 | 108.1° | 109.5° |
C1 | N10 | C9 | 122.6° | 125.7° |
C1 | N10 | C11 | 123.8° | 125.6° |
N10 | C1 | H1 | 108.8° | 109.6° |
C2 | C3 | C4 | 109.3° | 109.2° |
C3 | C2 | H21C | 109.6° | 109.6° |
C3 | C2 | H22C | 109.6° | 109.6° |
C2 | C3 | H31C | 109.5° | 109.6° |
C2 | C3 | H32C | 109.5° | 109.5° |
C3 | C4 | N5 | 119.4° | 121.3° |
C3 | C4 | O19 | 118.8° | 119.4° |
C4 | C3 | H31C | 109.5° | 109.5° |
C4 | C3 | H32C | 109.5° | 109.5° |
N5 | C4 | O19 | 121.8° | 119.4° |
C4 | N5 | C6 | 125.4° | 122.6° |
C4 | N5 | H5 | 117.3° | 118.7° |
N5 | C6 | O18 | 122.7° | 119.4° |
C6 | N5 | H5 | 117.3° | 118.7° |
C8 | C7 | C11 | 106.1° | 108.2° |
C8 | C7 | C15 | 122.0° | 119.5° |
C7 | C8 | C9 | 111.0° | 106.5° |
C7 | C8 | C14 | 122.1° | 120.2° |
C11 | C7 | C15 | 131.9° | 132.3° |
C7 | C11 | N10 | 107.8° | 110.3° |
C7 | C11 | O16 | 122.5° | 124.8° |
C7 | C15 | C12 | 116.9° | 119.9° |
C7 | C15 | H15 | 121.6° | 120.0° |
C9 | C8 | C14 | 126.9° | 133.3° |
C8 | C9 | N10 | 101.6° | 106.3° |
C8 | C9 | H91 | 111.4° | 110.1° |
C8 | C9 | H92 | 111.4° | 110.1° |
C8 | C14 | C13 | 116.5° | 119.8° |
C8 | C14 | N17 | 120.1° | 120.1° |
C9 | N10 | C11 | 113.5° | 108.7° |
N10 | C9 | H91 | 111.4° | 110.1° |
N10 | C9 | H92 | 111.4° | 110.1° |
N10 | C11 | O16 | 129.7° | 124.9° |
C13 | C12 | C15 | 120.8° | 120.5° |
C12 | C13 | C14 | 121.7° | 120.1° |
C13 | C12 | H12 | 119.6° | 119.8° |
C12 | C13 | H13 | 119.2° | 120.0° |
C12 | C15 | H15 | 121.5° | 120.0° |
C15 | C12 | H12 | 119.6° | 119.7° |
C13 | C14 | N17 | 123.4° | 120.1° |
C14 | C13 | H13 | 119.2° | 119.9° |
C14 | N17 | H171 | 109.5° | 120.0° |
C14 | N17 | H172 | 109.5° | 120.0° |
H21C | C2 | H22C | 109.4° | 109.7° |
H31C | C3 | H32C | 109.4° | 109.5° |
H91 | C9 | H92 | 109.5° | 110.1° |
H171 | N17 | H172 | 109.5° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | C6 | N10 | 124.6° | 119.8° |
C2 | C1 | C6 | H1 | 116.9° | 120.0° |
C2 | C1 | N10 | H1 | 119.6° | 120.2° |
C1 | C2 | C3 | H21C | 120.0° | 119.7° |
C1 | C2 | C3 | H22C | 120.0° | 119.8° |
C1 | C2 | C3 | C4 | 56.3° | 55.6° |
C2 | C1 | C6 | N5 | 30.4° | 29.1° |
C2 | C1 | C6 | O18 | 152.8° | 151.0° |
C2 | C1 | N10 | C9 | 63.0° | 78.5° |
C2 | C1 | N10 | C11 | 119.0° | 101.5° |
C1 | C2 | H21C | H22C | 120.2° | 120.5° |
C1 | C2 | C3 | H31C | 63.7° | 175.5° |
C1 | C2 | C3 | H32C | 176.3° | 64.3° |
C6 | C1 | N10 | H1 | 118.0° | 120.2° |
C6 | C1 | C2 | C3 | 57.1° | 55.6° |
C1 | C6 | N5 | C4 | 2.1° | 0.5° |
C1 | C6 | N5 | O18 | 176.7° | 180.0° |
C6 | C1 | N10 | C9 | 59.3° | 41.1° |
C6 | C1 | N10 | C11 | 118.7° | 138.9° |
C6 | C1 | C2 | H21C | 177.0° | 64.1° |
C6 | C1 | C2 | H22C | 62.9° | 175.4° |
C1 | C6 | N5 | H5 | 177.9° | 179.4° |
N10 | C1 | C2 | C3 | 179.6° | 64.3° |
N10 | C1 | C6 | N5 | 155.0° | 90.8° |
N10 | C1 | C6 | O18 | 28.2° | 89.2° |
C1 | N10 | C11 | C7 | 178.6° | 180.0° |
C1 | N10 | C9 | C8 | 178.6° | 180.0° |
C1 | N10 | C9 | C11 | 178.2° | 180.0° |
C1 | N10 | C11 | O16 | 1.0° | 0.0° |
N10 | C1 | C2 | H21C | 60.5° | 176.0° |
N10 | C1 | C2 | H22C | 59.6° | 55.5° |
C1 | N10 | C9 | H91 | 62.7° | 60.8° |
C1 | N10 | C9 | H92 | 59.9° | 60.8° |
C2 | C3 | C4 | H31C | 120.0° | 120.0° |
C2 | C3 | C4 | H32C | 120.0° | 119.9° |
C2 | C3 | C4 | N5 | 29.3° | 29.0° |
C2 | C3 | C4 | O19 | 152.9° | 150.9° |
C3 | C2 | C1 | H1 | 60.1° | 175.5° |
C3 | C2 | H21C | H22C | 120.2° | 120.4° |
C2 | C3 | H31C | H32C | 120.1° | 120.1° |
C3 | C4 | N5 | O19 | 177.7° | 179.9° |
C3 | C4 | N5 | C6 | 1.4° | 0.5° |
C4 | C3 | C2 | H21C | 176.3° | 64.1° |
C4 | C3 | C2 | H22C | 63.6° | 175.4° |
C4 | C3 | H31C | H32C | 120.1° | 120.1° |
C3 | C4 | N5 | H5 | 178.6° | 179.5° |
C4 | N5 | C6 | H5 | 180.0° | 180.0° |
C4 | N5 | C6 | O18 | 178.8° | 179.5° |
N5 | C4 | C3 | H31C | 90.7° | 149.0° |
N5 | C4 | C3 | H32C | 149.3° | 90.8° |
O19 | C4 | N5 | C6 | 179.1° | 179.4° |
O19 | C4 | C3 | H31C | 87.1° | 30.9° |
O19 | C4 | C3 | H32C | 32.9° | 89.2° |
O19 | C4 | N5 | H5 | 0.9° | 0.6° |
N5 | C6 | C1 | H1 | 86.6° | 149.0° |
O18 | C6 | C1 | H1 | 90.3° | 31.0° |
O18 | C6 | N5 | H5 | 1.3° | 0.5° |
C8 | C7 | C11 | C15 | 179.8° | 179.7° |
C7 | C8 | C9 | C14 | 178.6° | 179.9° |
C7 | C8 | C9 | N10 | 0.3° | 0.1° |
C8 | C7 | C11 | N10 | 0.2° | 0.1° |
C8 | C7 | C11 | O16 | 179.5° | 180.0° |
C8 | C7 | C15 | C12 | 1.9° | 0.0° |
C7 | C8 | C14 | C13 | 0.4° | 0.1° |
C7 | C8 | C14 | N17 | 179.4° | 180.0° |
C8 | C7 | C15 | H15 | 178.1° | 179.9° |
C7 | C8 | C9 | H91 | 119.0° | 119.2° |
C7 | C8 | C9 | H92 | 118.4° | 119.2° |
C11 | C7 | C8 | C9 | 0.1° | 0.1° |
C11 | C7 | C8 | C14 | 178.5° | 180.0° |
C7 | C11 | N10 | C9 | 0.4° | 0.0° |
C7 | C11 | N10 | O16 | 179.6° | 180.0° |
C11 | C7 | C15 | C12 | 178.3° | 179.6° |
C11 | C7 | C15 | H15 | 1.7° | 0.3° |
C15 | C7 | C8 | C9 | 179.8° | 179.8° |
C15 | C7 | C8 | C14 | 1.6° | 0.3° |
C15 | C7 | C11 | N10 | 180.0° | 179.7° |
C15 | C7 | C11 | O16 | 0.4° | 0.3° |
C7 | C15 | C12 | C13 | 1.1° | 0.5° |
C7 | C15 | C12 | H15 | 180.0° | 179.9° |
C7 | C15 | C12 | H12 | 178.9° | 179.8° |
C8 | C9 | N10 | H91 | 118.7° | 119.3° |
C8 | C9 | N10 | H92 | 118.7° | 119.2° |
C8 | C9 | N10 | C11 | 0.5° | 0.0° |
C9 | C8 | C14 | C13 | 178.8° | 180.0° |
C9 | C8 | C14 | N17 | 1.0° | 0.1° |
C8 | C9 | H91 | H92 | 123.7° | 121.6° |
C14 | C8 | C9 | N10 | 178.3° | 180.0° |
C8 | C14 | C13 | C12 | 0.4° | 0.4° |
C8 | C14 | C13 | N17 | 179.8° | 179.9° |
C14 | C8 | C9 | H91 | 59.6° | 60.7° |
C14 | C8 | C9 | H92 | 63.0° | 60.8° |
C8 | C14 | C13 | H13 | 179.7° | 179.8° |
C8 | C14 | N17 | H171 | 180.0° | 0.0° |
C8 | C14 | N17 | H172 | 60.0° | 179.9° |
C9 | N10 | C11 | O16 | 179.2° | 180.0° |
C9 | N10 | C1 | H1 | 177.4° | 161.3° |
N10 | C9 | H91 | H92 | 123.7° | 121.6° |
C11 | N10 | C1 | H1 | 0.6° | 18.7° |
C11 | N10 | C9 | H91 | 119.2° | 119.2° |
C11 | N10 | C9 | H92 | 118.2° | 119.2° |
C13 | C12 | C15 | H12 | 180.0° | 179.3° |
C12 | C13 | C14 | H13 | 180.0° | 179.4° |
C12 | C13 | C14 | N17 | 179.8° | 179.5° |
C13 | C12 | C15 | H15 | 178.9° | 179.6° |
C15 | C12 | C13 | C14 | 0.0° | 0.7° |
C15 | C12 | C13 | H13 | 179.9° | 179.9° |
C14 | C13 | C12 | H12 | 180.0° | 180.0° |
C13 | C14 | N17 | H171 | 0.2° | 179.9° |
C13 | C14 | N17 | H172 | 120.2° | 0.0° |
N17 | C14 | C13 | H13 | 0.1° | 0.1° |
C14 | N17 | H171 | H172 | 120.0° | 179.9° |
H1 | C1 | C2 | H21C | 59.8° | 55.8° |
H1 | C1 | C2 | H22C | 179.9° | 64.7° |
H21C | C2 | C3 | H31C | 56.3° | 55.8° |
H21C | C2 | C3 | H32C | 63.7° | 175.9° |
H22C | C2 | C3 | H31C | 176.4° | 64.7° |
H22C | C2 | C3 | H32C | 56.4° | 55.4° |
H15 | C15 | C12 | H12 | 1.1° | 0.3° |
H12 | C12 | C13 | H13 | 0.0° | 0.6° |