ZVN
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C04 | C05 | sing | 1.53Å | 1.53Å | |
C04 | N03 | sing | 1.47Å | 1.51Å | |
C05 | N06 | sing | 1.47Å | 1.42Å | |
S15 | C14 | sing | 1.76Å | 1.65Å | Aromatic |
S15 | C07 | sing | 1.76Å | 1.70Å | Aromatic |
C13 | C14 | doub | 1.39Å | 1.41Å | Aromatic |
C13 | C12 | sing | 1.38Å | 1.37Å | Aromatic |
N03 | C07 | sing | 1.38Å | 1.46Å | |
N03 | C02 | sing | 1.47Å | 1.50Å | |
C14 | C09 | sing | 1.40Å | 1.39Å | Aromatic |
N06 | C01 | sing | 1.47Å | 1.41Å | |
C07 | N08 | doub | 1.29Å | 1.37Å | Aromatic |
C12 | C11 | doub | 1.39Å | 1.41Å | Aromatic |
C01 | C02 | sing | 1.53Å | 1.54Å | |
C09 | N08 | sing | 1.35Å | 1.45Å | Aromatic |
C09 | C10 | doub | 1.41Å | 1.39Å | Aromatic |
C11 | C10 | sing | 1.37Å | 1.39Å | Aromatic |
C10 | H1 | sing | 1.08Å | 1.08Å | |
C13 | H2 | sing | 1.08Å | 1.08Å | |
C01 | H3 | sing | 1.09Å | 1.10Å | |
C01 | H4 | sing | 1.09Å | 1.10Å | |
C02 | H5 | sing | 1.09Å | 1.10Å | |
C02 | H6 | sing | 1.09Å | 1.10Å | |
C04 | H7 | sing | 1.09Å | 1.10Å | |
C04 | H8 | sing | 1.09Å | 1.10Å | |
C05 | H9 | sing | 1.09Å | 1.10Å | |
C05 | H10 | sing | 1.09Å | 1.10Å | |
N06 | H11 | sing | 1.01Å | 1.00Å | |
C11 | H13 | sing | 1.08Å | 1.08Å | |
C12 | H14 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C05 | C04 | N03 | 115.8° | 109.4° |
C04 | C05 | N06 | 113.2° | 109.4° |
C05 | C04 | H7 | 107.9° | 109.5° |
C05 | C04 | H8 | 107.9° | 109.5° |
C04 | C05 | H9 | 108.5° | 109.5° |
C04 | C05 | H10 | 108.5° | 109.5° |
C04 | N03 | C07 | 122.2° | 111.0° |
C04 | N03 | C02 | 116.5° | 110.9° |
N03 | C04 | H7 | 107.9° | 109.5° |
N03 | C04 | H8 | 107.9° | 109.5° |
C05 | N06 | C01 | 113.6° | 110.9° |
N06 | C05 | H9 | 108.5° | 109.5° |
N06 | C05 | H10 | 108.5° | 109.5° |
C05 | N06 | H11 | 108.4° | 111.0° |
C14 | S15 | C07 | 97.7° | 90.5° |
S15 | C14 | C13 | 133.5° | 131.2° |
S15 | C14 | C09 | 106.9° | 108.4° |
S15 | C07 | N03 | 125.6° | 124.8° |
S15 | C07 | N08 | 110.0° | 110.3° |
C14 | C13 | C12 | 120.1° | 120.2° |
C13 | C14 | C09 | 119.5° | 120.4° |
C14 | C13 | H2 | 120.0° | 119.9° |
C13 | C12 | C11 | 120.3° | 120.0° |
C12 | C13 | H2 | 120.0° | 119.9° |
C13 | C12 | H14 | 119.8° | 120.0° |
C07 | N03 | C02 | 121.3° | 111.0° |
N03 | C07 | N08 | 124.4° | 124.9° |
N03 | C02 | C01 | 115.1° | 109.4° |
N03 | C02 | H5 | 108.0° | 109.5° |
N03 | C02 | H6 | 108.1° | 109.5° |
C14 | C09 | N08 | 115.8° | 112.8° |
C14 | C09 | C10 | 120.3° | 118.4° |
N06 | C01 | C02 | 113.8° | 109.4° |
N06 | C01 | H3 | 108.4° | 109.5° |
N06 | C01 | H4 | 108.4° | 109.5° |
C01 | N06 | H11 | 108.4° | 111.0° |
C07 | N08 | C09 | 109.6° | 117.9° |
C12 | C11 | C10 | 119.7° | 120.6° |
C12 | C11 | H13 | 120.2° | 119.7° |
C11 | C12 | H14 | 119.8° | 120.1° |
C02 | C01 | H3 | 108.4° | 109.5° |
C02 | C01 | H4 | 108.4° | 109.5° |
C01 | C02 | H5 | 108.1° | 109.5° |
C01 | C02 | H6 | 108.0° | 109.5° |
N08 | C09 | C10 | 123.9° | 128.7° |
C09 | C10 | C11 | 120.1° | 120.4° |
C09 | C10 | H1 | 120.0° | 119.8° |
C11 | C10 | H1 | 120.0° | 119.7° |
C10 | C11 | H13 | 120.1° | 119.7° |
H3 | C01 | H4 | 109.5° | 109.5° |
H5 | C02 | H6 | 109.5° | 109.5° |
H7 | C04 | H8 | 109.4° | 109.5° |
H9 | C05 | H10 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C05 | C04 | N03 | H7 | 121.0° | 120.0° |
C05 | C04 | N03 | H8 | 121.0° | 119.9° |
C04 | C05 | N06 | H9 | 120.6° | 119.9° |
C04 | C05 | N06 | H10 | 120.5° | 120.0° |
C05 | C04 | N03 | C07 | 152.2° | 176.8° |
C05 | C04 | N03 | C02 | 26.2° | 59.3° |
C04 | C05 | N06 | C01 | 56.9° | 59.3° |
C05 | C04 | H7 | H8 | 117.1° | 120.0° |
C04 | C05 | H9 | H10 | 118.3° | 120.0° |
C04 | C05 | N06 | H11 | 177.5° | 64.5° |
N03 | C04 | C05 | N06 | 13.9° | 58.4° |
C04 | N03 | C07 | S15 | 5.8° | 123.8° |
C04 | N03 | C07 | C02 | 178.3° | 123.8° |
C04 | N03 | C07 | N08 | 171.0° | 56.2° |
C04 | N03 | C02 | C01 | 26.0° | 59.3° |
C04 | N03 | C02 | H5 | 146.9° | 60.6° |
C04 | N03 | C02 | H6 | 94.8° | 179.3° |
N03 | C04 | H7 | H8 | 117.1° | 120.1° |
N03 | C04 | C05 | H9 | 106.7° | 178.4° |
N03 | C04 | C05 | H10 | 134.4° | 61.6° |
C05 | N06 | C01 | H11 | 120.6° | 123.8° |
C05 | N06 | C01 | C02 | 57.2° | 59.3° |
C05 | N06 | C01 | H3 | 63.5° | 60.6° |
C05 | N06 | C01 | H4 | 177.8° | 179.3° |
N06 | C05 | C04 | H7 | 107.1° | 61.6° |
N06 | C05 | C04 | H8 | 134.8° | 178.3° |
N06 | C05 | H9 | H10 | 118.3° | 120.1° |
S15 | C14 | C13 | C09 | 178.8° | 179.7° |
S15 | C14 | C13 | C12 | 179.7° | 180.0° |
C14 | S15 | C07 | N03 | 178.1° | 179.8° |
C14 | S15 | C07 | N08 | 0.9° | 0.1° |
S15 | C14 | C09 | N08 | 0.0° | 0.2° |
S15 | C14 | C09 | C10 | 179.4° | 179.8° |
S15 | C14 | C13 | H2 | 0.3° | 0.3° |
C07 | S15 | C14 | C13 | 179.4° | 180.0° |
S15 | C07 | N03 | N08 | 176.8° | 180.0° |
S15 | C07 | N03 | C02 | 175.9° | 0.0° |
C07 | S15 | C14 | C09 | 0.5° | 0.2° |
S15 | C07 | N08 | C09 | 1.0° | 0.0° |
C14 | C13 | C12 | H2 | 180.0° | 179.7° |
C14 | C13 | C12 | C11 | 1.3° | 0.3° |
C13 | C14 | C09 | N08 | 179.1° | 180.0° |
C13 | C14 | C09 | C10 | 0.3° | 0.0° |
C14 | C13 | C12 | H14 | 178.7° | 180.0° |
C12 | C13 | C14 | C09 | 0.9° | 0.3° |
C13 | C12 | C11 | H14 | 180.0° | 179.7° |
C13 | C12 | C11 | C10 | 1.1° | 0.1° |
C13 | C12 | C11 | H13 | 178.9° | 180.0° |
C07 | N03 | C02 | C01 | 152.3° | 176.8° |
N03 | C07 | N08 | C09 | 178.3° | 179.9° |
C07 | N03 | C02 | H5 | 31.5° | 63.2° |
C07 | N03 | C02 | H6 | 86.8° | 56.9° |
C07 | N03 | C04 | H7 | 31.2° | 63.2° |
C07 | N03 | C04 | H8 | 86.9° | 56.9° |
N03 | C02 | C01 | N06 | 14.1° | 58.4° |
C02 | N03 | C07 | N08 | 7.3° | 180.0° |
N03 | C02 | C01 | H5 | 120.8° | 120.0° |
N03 | C02 | C01 | H6 | 120.8° | 120.0° |
N03 | C02 | C01 | H3 | 106.5° | 61.6° |
N03 | C02 | C01 | H4 | 134.8° | 178.3° |
N03 | C02 | H5 | H6 | 117.5° | 120.1° |
C02 | N03 | C04 | H7 | 147.2° | 60.6° |
C02 | N03 | C04 | H8 | 94.7° | 179.3° |
C14 | C09 | N08 | C07 | 0.7° | 0.1° |
C14 | C09 | N08 | C10 | 179.4° | 180.0° |
C14 | C09 | C10 | C11 | 0.1° | 0.2° |
C14 | C09 | C10 | H1 | 179.9° | 180.0° |
C09 | C14 | C13 | H2 | 179.1° | 180.0° |
N06 | C01 | C02 | H3 | 120.7° | 119.9° |
N06 | C01 | C02 | H4 | 120.6° | 120.0° |
N06 | C01 | H3 | H4 | 118.1° | 120.1° |
N06 | C01 | C02 | H5 | 106.7° | 61.6° |
N06 | C01 | C02 | H6 | 135.0° | 178.4° |
C01 | N06 | C05 | H9 | 63.7° | 179.2° |
C01 | N06 | C05 | H10 | 177.5° | 60.6° |
C07 | N08 | C09 | C10 | 179.9° | 179.9° |
C12 | C11 | C10 | C09 | 0.5° | 0.2° |
C12 | C11 | C10 | H13 | 180.0° | 179.9° |
C12 | C11 | C10 | H1 | 179.5° | 180.0° |
C11 | C12 | C13 | H2 | 178.7° | 180.0° |
C02 | C01 | H3 | H4 | 118.0° | 120.1° |
C01 | C02 | H5 | H6 | 117.4° | 120.0° |
C02 | C01 | N06 | H11 | 177.8° | 64.5° |
N08 | C09 | C10 | C11 | 179.2° | 179.8° |
N08 | C09 | C10 | H1 | 0.8° | 0.0° |
C09 | C10 | C11 | H1 | 180.0° | 179.8° |
C09 | C10 | C11 | H13 | 179.5° | 179.7° |
C10 | C11 | C12 | H14 | 178.9° | 179.8° |
H1 | C10 | C11 | H13 | 0.5° | 0.1° |
H2 | C13 | C12 | H14 | 1.3° | 0.3° |
H3 | C01 | C02 | H5 | 132.6° | 178.5° |
H3 | C01 | C02 | H6 | 14.3° | 58.4° |
H3 | C01 | N06 | H11 | 57.1° | 175.5° |
H4 | C01 | C02 | H5 | 13.9° | 58.4° |
H4 | C01 | C02 | H6 | 104.4° | 61.7° |
H4 | C01 | N06 | H11 | 61.6° | 55.4° |
H7 | C04 | C05 | H9 | 132.4° | 58.4° |
H7 | C04 | C05 | H10 | 13.5° | 178.5° |
H8 | C04 | C05 | H9 | 14.2° | 61.7° |
H8 | C04 | C05 | H10 | 104.7° | 58.4° |
H9 | C05 | N06 | H11 | 56.9° | 55.4° |
H10 | C05 | N06 | H11 | 62.0° | 175.5° |
H13 | C11 | C12 | H14 | 1.1° | 0.4° |