RVY
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C2 | C1 | sing | 1.53Å | 1.55Å | |
N | C1 | sing | 1.46Å | 1.47Å | |
N | C | sing | 1.34Å | 1.40Å | |
C1 | C13 | sing | 1.51Å | 1.55Å | |
C1 | C3 | sing | 1.53Å | 1.56Å | |
O | C | doub | 1.21Å | 1.22Å | |
C | C12 | sing | 1.51Å | 1.52Å | |
C13 | C12 | sing | 1.52Å | 1.51Å | |
C13 | O1 | doub | 1.21Å | 1.20Å | |
C3 | C4 | sing | 1.51Å | 1.47Å | |
C4 | N3 | sing | 1.34Å | 1.40Å | Aromatic |
C4 | C5 | doub | 1.35Å | 1.38Å | Aromatic |
N3 | N2 | doub | 1.29Å | 1.28Å | Aromatic |
C5 | N1 | sing | 1.36Å | 1.40Å | Aromatic |
N2 | N1 | sing | 1.29Å | 1.39Å | Aromatic |
N1 | C6 | sing | 1.40Å | 1.44Å | |
C6 | C11 | doub | 1.39Å | 1.41Å | Aromatic |
C6 | C7 | sing | 1.39Å | 1.40Å | Aromatic |
C11 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
C7 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
C10 | C9 | doub | 1.38Å | 1.40Å | Aromatic |
C8 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
C5 | H1 | sing | 1.08Å | 1.08Å | |
C7 | H2 | sing | 1.08Å | 1.08Å | |
C8 | H3 | sing | 1.08Å | 1.08Å | |
C10 | H4 | sing | 1.08Å | 1.08Å | |
N | H5 | sing | 0.97Å | 1.00Å | |
C11 | H6 | sing | 1.08Å | 1.08Å | |
C12 | H7 | sing | 1.09Å | 1.10Å | |
C12 | H8 | sing | 1.09Å | 1.10Å | |
C2 | H9 | sing | 1.09Å | 1.10Å | |
C2 | H10 | sing | 1.09Å | 1.10Å | |
C2 | H11 | sing | 1.09Å | 1.10Å | |
C3 | H12 | sing | 1.09Å | 1.10Å | |
C3 | H13 | sing | 1.09Å | 1.10Å | |
C9 | H14 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | N | 112.5° | 109.8° |
C2 | C1 | C13 | 109.7° | 109.9° |
C2 | C1 | C3 | 110.8° | 109.9° |
C1 | C2 | H9 | 109.5° | 109.5° |
C1 | C2 | H10 | 109.5° | 109.5° |
C1 | C2 | H11 | 109.5° | 109.4° |
C1 | N | C | 113.6° | 111.4° |
N | C1 | C13 | 102.4° | 107.6° |
N | C1 | C3 | 113.0° | 109.8° |
C1 | N | H5 | 123.2° | 124.3° |
N | C | O | 124.2° | 124.9° |
N | C | C12 | 110.1° | 110.3° |
C | N | H5 | 123.2° | 124.3° |
C13 | C1 | C3 | 108.0° | 109.9° |
C1 | C13 | C12 | 110.5° | 104.7° |
C1 | C13 | O1 | 123.9° | 127.7° |
C1 | C3 | C4 | 113.0° | 109.5° |
C1 | C3 | H12 | 108.6° | 109.5° |
C1 | C3 | H13 | 108.6° | 109.4° |
O | C | C12 | 125.7° | 124.9° |
C | C12 | C13 | 103.3° | 106.1° |
C | C12 | H7 | 111.0° | 110.2° |
C | C12 | H8 | 111.0° | 110.1° |
C12 | C13 | O1 | 125.6° | 127.6° |
C13 | C12 | H7 | 111.0° | 110.1° |
C13 | C12 | H8 | 111.0° | 110.1° |
C3 | C4 | N3 | 124.2° | 126.7° |
C3 | C4 | C5 | 127.9° | 126.7° |
C4 | C3 | H12 | 108.6° | 109.5° |
C4 | C3 | H13 | 108.6° | 109.5° |
N3 | C4 | C5 | 107.9° | 106.6° |
C4 | N3 | N2 | 109.6° | 109.0° |
C4 | C5 | N1 | 105.1° | 106.0° |
C4 | C5 | H1 | 127.5° | 127.0° |
N3 | N2 | N1 | 109.0° | 110.2° |
C5 | N1 | N2 | 108.4° | 108.2° |
C5 | N1 | C6 | 127.0° | 125.9° |
N1 | C5 | H1 | 127.4° | 127.0° |
N2 | N1 | C6 | 124.6° | 125.9° |
N1 | C6 | C11 | 119.3° | 120.1° |
N1 | C6 | C7 | 119.2° | 120.1° |
C11 | C6 | C7 | 121.4° | 119.9° |
C6 | C11 | C10 | 118.5° | 119.9° |
C6 | C11 | H6 | 120.7° | 120.0° |
C6 | C7 | C8 | 119.1° | 119.9° |
C6 | C7 | H2 | 120.5° | 120.1° |
C11 | C10 | C9 | 120.7° | 120.1° |
C11 | C10 | H4 | 119.7° | 120.0° |
C10 | C11 | H6 | 120.7° | 120.0° |
C7 | C8 | C9 | 120.2° | 120.1° |
C8 | C7 | H2 | 120.5° | 120.0° |
C7 | C8 | H3 | 119.9° | 120.0° |
C10 | C9 | C8 | 120.1° | 120.1° |
C9 | C10 | H4 | 119.7° | 119.9° |
C10 | C9 | H14 | 120.0° | 120.0° |
C9 | C8 | H3 | 119.9° | 119.9° |
C8 | C9 | H14 | 120.0° | 119.9° |
H7 | C12 | H8 | 109.4° | 110.1° |
H9 | C2 | H10 | 109.4° | 109.5° |
H9 | C2 | H11 | 109.5° | 109.5° |
H10 | C2 | H11 | 109.4° | 109.5° |
H12 | C3 | H13 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | N | C13 | 117.7° | 119.5° |
C2 | C1 | N | C3 | 126.4° | 121.0° |
C2 | C1 | N | C | 120.0° | 119.8° |
C2 | C1 | C13 | C3 | 120.9° | 121.0° |
C2 | C1 | C13 | C12 | 123.2° | 119.5° |
C2 | C1 | C13 | O1 | 56.8° | 60.2° |
C2 | C1 | C3 | C4 | 172.3° | 64.5° |
C2 | C1 | N | H5 | 60.0° | 60.4° |
C1 | C2 | H9 | H10 | 120.0° | 120.0° |
C1 | C2 | H9 | H11 | 120.0° | 120.0° |
C1 | C2 | H10 | H11 | 120.0° | 120.0° |
C2 | C1 | C3 | H12 | 67.2° | 55.5° |
C2 | C1 | C3 | H13 | 51.7° | 175.5° |
C1 | N | C | H5 | 180.0° | 179.8° |
N | C1 | C13 | C3 | 119.5° | 119.5° |
C1 | N | C | O | 178.5° | 179.9° |
C1 | N | C | C12 | 0.4° | 0.4° |
N | C1 | C13 | C12 | 3.5° | 0.0° |
N | C1 | C13 | O1 | 176.5° | 179.7° |
N | C1 | C3 | C4 | 45.0° | 56.4° |
N | C1 | C2 | H9 | 180.0° | 60.7° |
N | C1 | C2 | H10 | 60.0° | 179.3° |
N | C1 | C2 | H11 | 60.0° | 59.3° |
N | C1 | C3 | H12 | 165.5° | 176.5° |
N | C1 | C3 | H13 | 75.6° | 63.6° |
C | N | C1 | C13 | 2.4° | 0.3° |
C | N | C1 | C3 | 113.5° | 119.3° |
N | C | O | C12 | 178.7° | 179.4° |
N | C | C12 | C13 | 1.9° | 0.4° |
N | C | C12 | H7 | 117.2° | 118.7° |
N | C | C12 | H8 | 120.9° | 119.6° |
C1 | C13 | C12 | C | 3.4° | 0.3° |
C1 | C13 | C12 | O1 | 180.0° | 179.7° |
C13 | C1 | C3 | C4 | 67.5° | 174.5° |
C13 | C1 | N | H5 | 177.6° | 180.0° |
C1 | C13 | C12 | H7 | 115.7° | 118.9° |
C1 | C13 | C12 | H8 | 122.4° | 119.4° |
C13 | C1 | C2 | H9 | 66.8° | 178.8° |
C13 | C1 | C2 | H10 | 53.2° | 61.2° |
C13 | C1 | C2 | H11 | 173.2° | 58.8° |
C13 | C1 | C3 | H12 | 53.0° | 65.4° |
C13 | C1 | C3 | H13 | 171.9° | 54.5° |
C3 | C1 | C13 | C12 | 115.9° | 119.5° |
C3 | C1 | C13 | O1 | 64.1° | 60.8° |
C1 | C3 | C4 | H12 | 120.5° | 120.0° |
C1 | C3 | C4 | H13 | 120.5° | 119.9° |
C1 | C3 | C4 | N3 | 70.0° | 55.0° |
C1 | C3 | C4 | C5 | 107.7° | 125.0° |
C3 | C1 | N | H5 | 66.5° | 60.5° |
C3 | C1 | C2 | H9 | 52.4° | 60.3° |
C3 | C1 | C2 | H10 | 172.4° | 59.7° |
C3 | C1 | C2 | H11 | 67.6° | 179.8° |
C1 | C3 | H12 | H13 | 118.4° | 119.9° |
O | C | C12 | C13 | 179.3° | 180.0° |
O | C | N | H5 | 1.5° | 0.3° |
O | C | C12 | H7 | 61.7° | 60.8° |
O | C | C12 | H8 | 60.2° | 60.9° |
C | C12 | C13 | H7 | 119.0° | 119.2° |
C | C12 | C13 | H8 | 119.0° | 119.2° |
C | C12 | C13 | O1 | 176.6° | 180.0° |
C12 | C | N | H5 | 179.6° | 179.8° |
C | C12 | H7 | H8 | 122.8° | 121.7° |
C13 | C12 | H7 | H8 | 122.9° | 121.6° |
O1 | C13 | C12 | H7 | 64.3° | 60.8° |
O1 | C13 | C12 | H8 | 57.6° | 60.9° |
C3 | C4 | N3 | C5 | 178.0° | 180.0° |
C3 | C4 | N3 | N2 | 177.9° | 180.0° |
C3 | C4 | C5 | N1 | 177.5° | 179.8° |
C3 | C4 | C5 | H1 | 2.5° | 0.1° |
C4 | C3 | H12 | H13 | 118.4° | 120.0° |
N3 | C4 | C5 | N1 | 0.4° | 0.2° |
C4 | N3 | N2 | N1 | 0.2° | 0.2° |
N3 | C4 | C5 | H1 | 179.6° | 179.9° |
N3 | C4 | C3 | H12 | 169.5° | 65.0° |
N3 | C4 | C3 | H13 | 50.6° | 174.9° |
C5 | C4 | N3 | N2 | 0.2° | 0.0° |
C4 | C5 | N1 | H1 | 180.0° | 179.9° |
C4 | C5 | N1 | N2 | 0.5° | 0.3° |
C4 | C5 | N1 | C6 | 179.2° | 180.0° |
C5 | C4 | C3 | H12 | 12.8° | 114.9° |
C5 | C4 | C3 | H13 | 131.8° | 5.1° |
N3 | N2 | N1 | C5 | 0.5° | 0.3° |
N3 | N2 | N1 | C6 | 179.3° | 180.0° |
C5 | N1 | N2 | C6 | 179.7° | 179.7° |
C5 | N1 | C6 | C11 | 27.0° | 180.0° |
C5 | N1 | C6 | C7 | 148.4° | 0.2° |
N2 | N1 | C6 | C11 | 152.7° | 0.4° |
N2 | N1 | C6 | C7 | 31.9° | 179.4° |
N2 | N1 | C5 | H1 | 179.5° | 179.8° |
N1 | C6 | C11 | C7 | 175.3° | 179.8° |
N1 | C6 | C11 | C10 | 172.7° | 180.0° |
N1 | C6 | C7 | C8 | 173.1° | 180.0° |
C6 | N1 | C5 | H1 | 0.8° | 0.1° |
N1 | C6 | C7 | H2 | 6.9° | 0.0° |
N1 | C6 | C11 | H6 | 7.3° | 0.0° |
C6 | C11 | C10 | H6 | 180.0° | 179.9° |
C11 | C6 | C7 | C8 | 2.2° | 0.2° |
C6 | C11 | C10 | C9 | 1.3° | 0.0° |
C11 | C6 | C7 | H2 | 177.8° | 179.8° |
C6 | C11 | C10 | H4 | 178.7° | 179.8° |
C7 | C6 | C11 | C10 | 2.7° | 0.2° |
C6 | C7 | C8 | H2 | 180.0° | 179.9° |
C6 | C7 | C8 | C9 | 0.4° | 0.1° |
C6 | C7 | C8 | H3 | 179.6° | 180.0° |
C7 | C6 | C11 | H6 | 177.4° | 179.7° |
C11 | C10 | C9 | H4 | 180.0° | 179.7° |
C11 | C10 | C9 | C8 | 0.4° | 0.3° |
C11 | C10 | C9 | H14 | 179.6° | 180.0° |
C7 | C8 | C9 | C10 | 0.8° | 0.3° |
C7 | C8 | C9 | H3 | 180.0° | 179.9° |
C7 | C8 | C9 | H14 | 179.1° | 180.0° |
C10 | C9 | C8 | H14 | 180.0° | 179.7° |
C10 | C9 | C8 | H3 | 179.1° | 179.8° |
C9 | C10 | C11 | H6 | 178.7° | 180.0° |
C9 | C8 | C7 | H2 | 179.6° | 180.0° |
C8 | C9 | C10 | H4 | 179.6° | 180.0° |
H2 | C7 | C8 | H3 | 0.4° | 0.1° |
H3 | C8 | C9 | H14 | 0.9° | 0.1° |
H4 | C10 | C11 | H6 | 1.3° | 0.3° |
H4 | C10 | C9 | H14 | 0.4° | 0.2° |
H9 | C2 | H10 | H11 | 120.0° | 120.0° |