44V
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N06 | C01 | sing | 1.47Å | 1.53Å | |
N06 | C05 | sing | 1.39Å | 1.40Å | |
C01 | C02 | sing | 1.54Å | 1.22Å | |
N07 | C05 | sing | 1.34Å | 1.43Å | |
N07 | C08 | doub | 1.32Å | 1.47Å | |
C05 | C04 | doub | 1.39Å | 1.54Å | |
N12 | C08 | sing | 1.37Å | 1.42Å | |
C08 | N09 | sing | 1.36Å | 1.49Å | |
C02 | C13 | sing | 1.53Å | 1.56Å | |
C02 | N03 | sing | 1.47Å | 1.52Å | |
C04 | N03 | sing | 1.41Å | 1.39Å | |
C04 | C10 | sing | 1.40Å | 1.46Å | |
N09 | C10 | sing | 1.35Å | 1.43Å | |
C10 | O11 | doub | 1.22Å | 1.22Å | |
C13 | H1 | sing | 1.09Å | 1.10Å | |
C13 | H2 | sing | 1.09Å | 1.10Å | |
C13 | H3 | sing | 1.09Å | 1.10Å | |
C01 | H4 | sing | 1.09Å | 1.10Å | |
C01 | H5 | sing | 1.09Å | 1.10Å | |
C02 | H6 | sing | 1.09Å | 1.10Å | |
N03 | H7 | sing | 0.97Å | 1.00Å | |
N06 | H8 | sing | 0.97Å | 1.00Å | |
N09 | H9 | sing | 0.97Å | 1.00Å | |
N12 | H10 | sing | 0.97Å | 1.00Å | |
N12 | H11 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C01 | N06 | C05 | 120.3° | 119.1° |
N06 | C01 | C02 | 117.6° | 108.4° |
N06 | C01 | H4 | 107.4° | 109.7° |
N06 | C01 | H5 | 107.4° | 109.8° |
C01 | N06 | H8 | 106.7° | 120.5° |
N06 | C05 | N07 | 124.4° | 120.5° |
N06 | C05 | C04 | 116.1° | 119.9° |
C05 | N06 | H8 | 106.7° | 120.5° |
C01 | C02 | C13 | 108.8° | 109.7° |
C01 | C02 | N03 | 113.9° | 108.0° |
C02 | C01 | H4 | 107.4° | 109.7° |
C02 | C01 | H5 | 107.4° | 109.7° |
C01 | C02 | H6 | 111.2° | 109.7° |
C05 | N07 | C08 | 120.1° | 121.0° |
N07 | C05 | C04 | 119.5° | 119.6° |
N07 | C08 | N12 | 120.7° | 119.2° |
N07 | C08 | N09 | 120.1° | 121.6° |
C05 | C04 | N03 | 115.7° | 120.1° |
C05 | C04 | C10 | 119.7° | 119.1° |
N12 | C08 | N09 | 119.2° | 119.2° |
C08 | N12 | H10 | 120.0° | 120.0° |
C08 | N12 | H11 | 120.0° | 120.0° |
C08 | N09 | C10 | 120.9° | 120.2° |
C08 | N09 | H9 | 119.6° | 119.9° |
C13 | C02 | N03 | 109.5° | 109.7° |
C02 | C13 | H1 | 109.5° | 109.4° |
C02 | C13 | H2 | 109.5° | 109.4° |
C02 | C13 | H3 | 109.5° | 109.5° |
C13 | C02 | H6 | 106.4° | 109.8° |
C02 | N03 | C04 | 119.5° | 118.5° |
N03 | C02 | H6 | 106.8° | 109.8° |
C02 | N03 | H7 | 106.9° | 120.8° |
N03 | C04 | C10 | 124.6° | 120.8° |
C04 | N03 | H7 | 106.9° | 120.8° |
C04 | C10 | N09 | 119.7° | 118.5° |
C04 | C10 | O11 | 121.1° | 120.8° |
N09 | C10 | O11 | 119.2° | 120.7° |
C10 | N09 | H9 | 119.5° | 120.0° |
H1 | C13 | H2 | 109.4° | 109.5° |
H1 | C13 | H3 | 109.5° | 109.5° |
H2 | C13 | H3 | 109.5° | 109.5° |
H4 | C01 | H5 | 109.5° | 109.7° |
H10 | N12 | H11 | 120.0° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C01 | N06 | C05 | H8 | 121.5° | 180.0° |
N06 | C01 | C02 | H4 | 121.2° | 119.7° |
N06 | C01 | C02 | H5 | 121.2° | 119.8° |
C01 | N06 | C05 | N07 | 179.6° | 162.8° |
C01 | N06 | C05 | C04 | 0.3° | 17.3° |
N06 | C01 | C02 | C13 | 168.2° | 63.2° |
N06 | C01 | C02 | N03 | 45.9° | 56.4° |
N06 | C01 | H4 | H5 | 116.3° | 120.6° |
N06 | C01 | C02 | H6 | 74.9° | 176.1° |
C05 | N06 | C01 | C02 | 25.6° | 45.7° |
N06 | C05 | N07 | C04 | 179.3° | 179.9° |
N06 | C05 | N07 | C08 | 180.0° | 179.8° |
N06 | C05 | C04 | N03 | 0.4° | 0.3° |
N06 | C05 | C04 | C10 | 180.0° | 179.8° |
C05 | N06 | C01 | H4 | 95.6° | 74.0° |
C05 | N06 | C01 | H5 | 146.8° | 165.4° |
C01 | C02 | C13 | N03 | 125.0° | 118.6° |
C01 | C02 | C13 | H6 | 119.9° | 120.7° |
C01 | C02 | N03 | H6 | 123.2° | 119.7° |
C01 | C02 | N03 | C04 | 46.2° | 44.0° |
C01 | C02 | C13 | H1 | 180.0° | 60.0° |
C01 | C02 | C13 | H2 | 60.0° | 180.0° |
C01 | C02 | C13 | H3 | 60.0° | 60.0° |
C02 | C01 | H4 | H5 | 116.3° | 120.5° |
C01 | C02 | N03 | H7 | 75.2° | 136.0° |
C02 | C01 | N06 | H8 | 95.9° | 134.3° |
C05 | N07 | C08 | N12 | 179.4° | 180.0° |
C05 | N07 | C08 | N09 | 0.4° | 0.1° |
N07 | C05 | C04 | N03 | 179.8° | 179.8° |
N07 | C05 | C04 | C10 | 0.7° | 0.1° |
N07 | C05 | N06 | H8 | 58.9° | 17.2° |
C08 | N07 | C05 | C04 | 0.7° | 0.1° |
N07 | C08 | N12 | N09 | 179.8° | 179.9° |
N07 | C08 | N09 | C10 | 0.1° | 0.0° |
N07 | C08 | N09 | H9 | 179.9° | 180.0° |
N07 | C08 | N12 | H10 | 0.0° | 0.0° |
N07 | C08 | N12 | H11 | 180.0° | 179.9° |
C05 | C04 | N03 | C02 | 20.4° | 15.9° |
C05 | C04 | N03 | C10 | 179.5° | 179.9° |
C05 | C04 | C10 | N09 | 0.3° | 0.0° |
C05 | C04 | C10 | O11 | 179.9° | 179.9° |
C05 | C04 | N03 | H7 | 101.0° | 164.1° |
C04 | C05 | N06 | H8 | 121.8° | 162.7° |
N12 | C08 | N09 | C10 | 179.8° | 179.9° |
N12 | C08 | N09 | H9 | 0.2° | 0.1° |
C08 | N12 | H10 | H11 | 180.0° | 179.9° |
C08 | N09 | C10 | C04 | 0.1° | 0.1° |
C08 | N09 | C10 | H9 | 180.0° | 180.0° |
C08 | N09 | C10 | O11 | 179.8° | 180.0° |
N09 | C08 | N12 | H10 | 179.8° | 179.9° |
N09 | C08 | N12 | H11 | 0.2° | 0.0° |
C13 | C02 | N03 | H6 | 114.8° | 120.7° |
C13 | C02 | N03 | C04 | 168.2° | 75.6° |
C02 | C13 | H1 | H2 | 120.0° | 120.0° |
C02 | C13 | H1 | H3 | 120.0° | 120.0° |
C02 | C13 | H2 | H3 | 120.0° | 120.0° |
C13 | C02 | C01 | H4 | 47.0° | 177.0° |
C13 | C02 | C01 | H5 | 70.6° | 56.5° |
C13 | C02 | N03 | H7 | 46.8° | 104.4° |
C02 | N03 | C04 | H7 | 121.4° | 180.0° |
C02 | N03 | C04 | C10 | 159.2° | 164.2° |
N03 | C02 | C13 | H1 | 55.0° | 178.6° |
N03 | C02 | C13 | H2 | 65.0° | 61.4° |
N03 | C02 | C13 | H3 | 175.0° | 58.6° |
N03 | C02 | C01 | H4 | 75.3° | 63.4° |
N03 | C02 | C01 | H5 | 167.0° | 176.1° |
N03 | C04 | C10 | N09 | 179.8° | 179.9° |
N03 | C04 | C10 | O11 | 0.4° | 0.2° |
C04 | N03 | C02 | H6 | 77.0° | 163.7° |
C04 | C10 | N09 | O11 | 179.9° | 179.9° |
C10 | C04 | N03 | H7 | 79.4° | 15.8° |
C04 | C10 | N09 | H9 | 179.9° | 179.9° |
O11 | C10 | N09 | H9 | 0.2° | 0.0° |
H1 | C13 | H2 | H3 | 120.0° | 120.0° |
H1 | C13 | C02 | H6 | 60.1° | 60.7° |
H2 | C13 | C02 | H6 | 179.9° | 59.3° |
H3 | C13 | C02 | H6 | 59.9° | 179.4° |
H4 | C01 | C02 | H6 | 163.9° | 56.3° |
H4 | C01 | N06 | H8 | 142.9° | 106.0° |
H5 | C01 | C02 | H6 | 46.2° | 64.1° |
H5 | C01 | N06 | H8 | 25.2° | 14.6° |
H6 | C02 | N03 | H7 | 161.6° | 16.3° |