WNM
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C13 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
C13 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
C12 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
C15 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
C11 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
C10 | S07 | sing | 1.76Å | 1.82Å | |
S07 | O08 | doub | 1.42Å | 1.46Å | |
S07 | O09 | doub | 1.42Å | 1.47Å | |
S07 | N05 | sing | 1.66Å | 1.71Å | |
N05 | C06 | sing | 1.47Å | 1.64Å | |
N05 | C04 | sing | 1.47Å | 1.35Å | |
C06 | C02 | sing | 1.55Å | 1.37Å | |
C04 | C03 | sing | 1.54Å | 1.59Å | |
C02 | C03 | sing | 1.55Å | 1.57Å | |
C02 | N01 | sing | 1.47Å | 1.51Å | |
C13 | H1 | sing | 1.08Å | 1.08Å | |
C15 | H2 | sing | 1.08Å | 1.08Å | |
C02 | H3 | sing | 1.09Å | 1.10Å | |
C03 | H4 | sing | 1.09Å | 1.10Å | |
C03 | H5 | sing | 1.09Å | 1.10Å | |
C04 | H6 | sing | 1.09Å | 1.10Å | |
C04 | H7 | sing | 1.09Å | 1.10Å | |
C06 | H8 | sing | 1.09Å | 1.10Å | |
C06 | H9 | sing | 1.09Å | 1.10Å | |
C11 | H10 | sing | 1.08Å | 1.08Å | |
C12 | H11 | sing | 1.08Å | 1.08Å | |
C14 | H12 | sing | 1.08Å | 1.08Å | |
N01 | H13 | sing | 1.01Å | 1.00Å | |
N01 | H14 | sing | 1.01Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C14 | C13 | C12 | 120.4° | 120.0° |
C13 | C14 | C15 | 120.1° | 120.0° |
C14 | C13 | H1 | 119.8° | 120.0° |
C13 | C14 | H12 | 119.9° | 120.1° |
C13 | C12 | C11 | 119.7° | 120.0° |
C12 | C13 | H1 | 119.8° | 120.0° |
C13 | C12 | H11 | 120.1° | 120.0° |
C14 | C15 | C10 | 119.3° | 120.0° |
C14 | C15 | H2 | 120.3° | 120.0° |
C15 | C14 | H12 | 120.0° | 119.9° |
C12 | C11 | C10 | 119.6° | 120.0° |
C12 | C11 | H10 | 120.2° | 120.0° |
C11 | C12 | H11 | 120.2° | 120.0° |
C15 | C10 | C11 | 120.9° | 120.0° |
C15 | C10 | S07 | 118.9° | 120.0° |
C10 | C15 | H2 | 120.4° | 120.0° |
C11 | C10 | S07 | 120.2° | 120.1° |
C10 | C11 | H10 | 120.2° | 119.9° |
C10 | S07 | O08 | 112.3° | 106.4° |
C10 | S07 | O09 | 112.8° | 106.4° |
C10 | S07 | N05 | 105.1° | 107.2° |
O08 | S07 | O09 | 104.7° | 123.2° |
O08 | S07 | N05 | 110.5° | 106.4° |
O09 | S07 | N05 | 111.7° | 106.4° |
S07 | N05 | C06 | 120.4° | 125.6° |
S07 | N05 | C04 | 123.1° | 125.7° |
C06 | N05 | C04 | 105.7° | 108.7° |
N05 | C06 | C02 | 106.8° | 104.8° |
N05 | C06 | H8 | 110.2° | 110.4° |
N05 | C06 | H9 | 110.1° | 110.5° |
N05 | C04 | C03 | 106.2° | 107.3° |
N05 | C04 | H6 | 110.3° | 109.8° |
N05 | C04 | H7 | 110.3° | 110.0° |
C06 | C02 | C03 | 105.1° | 101.6° |
C06 | C02 | N01 | 112.4° | 111.0° |
C06 | C02 | H3 | 111.3° | 111.0° |
C02 | C06 | H8 | 110.1° | 110.3° |
C02 | C06 | H9 | 110.2° | 110.4° |
C04 | C03 | C02 | 105.8° | 103.0° |
C04 | C03 | H4 | 110.4° | 110.7° |
C04 | C03 | H5 | 110.4° | 110.9° |
C03 | C04 | H6 | 110.3° | 109.9° |
C03 | C04 | H7 | 110.2° | 109.9° |
C03 | C02 | N01 | 110.3° | 111.0° |
C03 | C02 | H3 | 108.4° | 111.0° |
C02 | C03 | H4 | 110.4° | 110.7° |
C02 | C03 | H5 | 110.4° | 110.7° |
N01 | C02 | H3 | 109.1° | 110.9° |
C02 | N01 | H13 | 109.5° | 111.0° |
C02 | N01 | H14 | 109.4° | 111.0° |
H4 | C03 | H5 | 109.4° | 110.7° |
H6 | C04 | H7 | 109.5° | 109.9° |
H8 | C06 | H9 | 109.5° | 110.4° |
H13 | N01 | H14 | 109.5° | 111.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C14 | C13 | C12 | H1 | 180.0° | 179.7° |
C13 | C14 | C15 | H12 | 180.0° | 179.7° |
C14 | C13 | C12 | C11 | 0.2° | 0.3° |
C13 | C14 | C15 | C10 | 0.5° | 0.0° |
C13 | C14 | C15 | H2 | 179.5° | 180.0° |
C14 | C13 | C12 | H11 | 179.8° | 180.0° |
C12 | C13 | C14 | C15 | 0.0° | 0.3° |
C13 | C12 | C11 | H11 | 180.0° | 179.7° |
C13 | C12 | C11 | C10 | 0.2° | 0.0° |
C13 | C12 | C11 | H10 | 179.8° | 180.0° |
C12 | C13 | C14 | H12 | 180.0° | 180.0° |
C14 | C15 | C10 | H2 | 180.0° | 180.0° |
C14 | C15 | C10 | C11 | 1.0° | 0.3° |
C14 | C15 | C10 | S07 | 179.6° | 180.0° |
C15 | C14 | C13 | H1 | 180.0° | 180.0° |
C12 | C11 | C10 | C15 | 0.8° | 0.3° |
C12 | C11 | C10 | H10 | 180.0° | 180.0° |
C12 | C11 | C10 | S07 | 179.4° | 180.0° |
C11 | C12 | C13 | H1 | 179.8° | 180.0° |
C15 | C10 | C11 | S07 | 178.6° | 179.7° |
C15 | C10 | S07 | O08 | 23.5° | 156.5° |
C15 | C10 | S07 | O09 | 141.4° | 23.6° |
C15 | C10 | S07 | N05 | 96.7° | 90.0° |
C15 | C10 | C11 | H10 | 179.2° | 179.7° |
C10 | C15 | C14 | H12 | 179.5° | 179.7° |
C11 | C10 | S07 | O08 | 157.9° | 23.2° |
C11 | C10 | S07 | O09 | 39.9° | 156.2° |
C11 | C10 | S07 | N05 | 82.0° | 90.3° |
C11 | C10 | C15 | H2 | 179.0° | 179.7° |
C10 | C11 | C12 | H11 | 179.7° | 179.7° |
C10 | S07 | O08 | O09 | 122.7° | 122.9° |
C10 | S07 | O08 | N05 | 116.9° | 114.0° |
C10 | S07 | O09 | N05 | 118.1° | 114.1° |
C10 | S07 | N05 | C06 | 71.2° | 90.0° |
C10 | S07 | N05 | C04 | 67.9° | 90.0° |
S07 | C10 | C15 | H2 | 0.4° | 0.0° |
S07 | C10 | C11 | H10 | 0.6° | 0.0° |
O08 | S07 | O09 | N05 | 119.6° | 123.0° |
O08 | S07 | N05 | C06 | 50.1° | 23.5° |
O08 | S07 | N05 | C04 | 170.8° | 156.5° |
O09 | S07 | N05 | C06 | 166.2° | 156.4° |
O09 | S07 | N05 | C04 | 54.7° | 23.5° |
S07 | N05 | C06 | C04 | 145.3° | 179.9° |
S07 | N05 | C06 | C02 | 179.9° | 155.9° |
S07 | N05 | C04 | C03 | 168.9° | 179.0° |
S07 | N05 | C04 | H6 | 71.6° | 59.5° |
S07 | N05 | C04 | H7 | 49.5° | 61.5° |
S07 | N05 | C06 | H8 | 60.4° | 85.3° |
S07 | N05 | C06 | H9 | 60.5° | 37.1° |
N05 | C06 | C02 | H8 | 119.6° | 118.8° |
N05 | C06 | C02 | H9 | 119.6° | 118.9° |
C06 | N05 | C04 | C03 | 24.8° | 1.1° |
N05 | C06 | C02 | C03 | 26.2° | 37.0° |
N05 | C06 | C02 | N01 | 93.9° | 155.1° |
N05 | C06 | C02 | H3 | 143.4° | 81.1° |
C06 | N05 | C04 | H6 | 144.3° | 120.5° |
C06 | N05 | C04 | H7 | 94.6° | 118.4° |
N05 | C06 | H8 | H9 | 121.2° | 122.4° |
C04 | N05 | C06 | C02 | 34.6° | 24.1° |
N05 | C04 | C03 | H6 | 119.5° | 119.4° |
N05 | C04 | C03 | H7 | 119.5° | 119.5° |
N05 | C04 | C03 | C02 | 10.2° | 22.2° |
N05 | C04 | C03 | H4 | 109.2° | 140.6° |
N05 | C04 | C03 | H5 | 129.7° | 96.3° |
N05 | C04 | H6 | H7 | 121.5° | 121.1° |
C04 | N05 | C06 | H8 | 84.9° | 94.6° |
C04 | N05 | C06 | H9 | 154.2° | 143.0° |
C06 | C02 | C03 | C04 | 12.0° | 35.5° |
C06 | C02 | C03 | N01 | 121.4° | 118.1° |
C06 | C02 | C03 | H3 | 119.1° | 118.1° |
C06 | C02 | N01 | H3 | 123.9° | 123.9° |
C06 | C02 | C03 | H4 | 131.4° | 153.8° |
C06 | C02 | C03 | H5 | 107.4° | 83.0° |
C02 | C06 | H8 | H9 | 121.2° | 122.2° |
C06 | C02 | N01 | H13 | 180.0° | 173.7° |
C06 | C02 | N01 | H14 | 60.0° | 62.4° |
C04 | C03 | C02 | H4 | 119.5° | 118.3° |
C04 | C03 | C02 | H5 | 119.4° | 118.5° |
C04 | C03 | C02 | N01 | 109.4° | 153.6° |
C04 | C03 | C02 | H3 | 131.1° | 82.6° |
C04 | C03 | H4 | H5 | 121.7° | 123.3° |
C03 | C04 | H6 | H7 | 121.5° | 121.1° |
C03 | C02 | N01 | H3 | 119.1° | 123.9° |
C02 | C03 | H4 | H5 | 121.7° | 123.2° |
C02 | C03 | C04 | H6 | 129.7° | 97.2° |
C02 | C03 | C04 | H7 | 109.2° | 141.7° |
C03 | C02 | C06 | H8 | 93.4° | 81.8° |
C03 | C02 | C06 | H9 | 145.7° | 156.0° |
C03 | C02 | N01 | H13 | 63.0° | 61.4° |
C03 | C02 | N01 | H14 | 177.0° | 174.6° |
N01 | C02 | C03 | H4 | 10.0° | 88.1° |
N01 | C02 | C03 | H5 | 131.2° | 35.0° |
N01 | C02 | C06 | H8 | 146.5° | 36.3° |
N01 | C02 | C06 | H9 | 25.7° | 85.9° |
C02 | N01 | H13 | H14 | 120.0° | 124.0° |
H1 | C13 | C12 | H11 | 0.1° | 0.3° |
H1 | C13 | C14 | H12 | 0.0° | 0.2° |
H2 | C15 | C14 | H12 | 0.5° | 0.3° |
H3 | C02 | C03 | H4 | 109.4° | 35.7° |
H3 | C02 | C03 | H5 | 11.7° | 158.9° |
H3 | C02 | C06 | H8 | 23.8° | 160.1° |
H3 | C02 | C06 | H9 | 97.1° | 37.9° |
H3 | C02 | N01 | H13 | 56.1° | 62.5° |
H3 | C02 | N01 | H14 | 63.9° | 61.5° |
H4 | C03 | C04 | H6 | 10.3° | 21.2° |
H4 | C03 | C04 | H7 | 131.3° | 99.9° |
H5 | C03 | C04 | H6 | 110.8° | 144.3° |
H5 | C03 | C04 | H7 | 10.2° | 23.3° |
H10 | C11 | C12 | H11 | 0.3° | 0.3° |