RN7
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C24 | C25 | sing | 1.53Å | 1.53Å | |
C24 | C23 | sing | 1.52Å | 1.53Å | |
C25 | C26 | sing | 1.53Å | 1.54Å | |
C26 | C27 | sing | 1.53Å | 1.53Å | |
C23 | S20 | sing | 1.76Å | 1.71Å | Aromatic |
C23 | C22 | doub | 1.34Å | 1.45Å | Aromatic |
S20 | C19 | sing | 1.74Å | 1.68Å | Aromatic |
C22 | C27 | sing | 1.52Å | 1.53Å | |
C22 | C21 | sing | 1.45Å | 1.52Å | Aromatic |
C19 | C21 | doub | 1.40Å | 1.39Å | Aromatic |
C19 | N18 | sing | 1.34Å | 1.34Å | Aromatic |
C21 | C02 | sing | 1.42Å | 1.42Å | Aromatic |
N18 | C04 | doub | 1.33Å | 1.32Å | Aromatic |
C02 | N01 | sing | 1.38Å | 1.44Å | |
C02 | N03 | doub | 1.33Å | 1.31Å | Aromatic |
C04 | N03 | sing | 1.32Å | 1.33Å | Aromatic |
C04 | S05 | sing | 1.76Å | 1.80Å | |
S05 | C06 | sing | 1.81Å | 1.83Å | |
C06 | C07 | sing | 1.51Å | 1.53Å | |
C13 | O14 | sing | 1.43Å | 1.39Å | |
C13 | C12 | sing | 1.53Å | 1.53Å | |
O14 | C15 | sing | 1.43Å | 1.40Å | |
C12 | N11 | sing | 1.47Å | 1.39Å | |
C07 | N08 | sing | 1.35Å | 1.45Å | |
C07 | O17 | doub | 1.21Å | 1.18Å | |
C15 | C16 | sing | 1.53Å | 1.53Å | |
N08 | C09 | sing | 1.46Å | 1.45Å | |
N11 | C16 | sing | 1.47Å | 1.39Å | |
N11 | C10 | sing | 1.47Å | 1.28Å | |
C09 | C10 | sing | 1.53Å | 1.54Å | |
C26 | H1 | sing | 1.09Å | 1.10Å | |
C26 | H2 | sing | 1.09Å | 1.10Å | |
C25 | H3 | sing | 1.09Å | 1.10Å | |
C25 | H4 | sing | 1.09Å | 1.10Å | |
C24 | H5 | sing | 1.09Å | 1.10Å | |
C24 | H6 | sing | 1.09Å | 1.10Å | |
C15 | H7 | sing | 1.09Å | 1.10Å | |
C15 | H8 | sing | 1.09Å | 1.10Å | |
C13 | H9 | sing | 1.09Å | 1.10Å | |
C13 | H10 | sing | 1.09Å | 1.10Å | |
C12 | H11 | sing | 1.09Å | 1.10Å | |
C12 | H12 | sing | 1.09Å | 1.10Å | |
C16 | H13 | sing | 1.09Å | 1.10Å | |
C16 | H14 | sing | 1.09Å | 1.10Å | |
C06 | H15 | sing | 1.09Å | 1.10Å | |
C06 | H16 | sing | 1.09Å | 1.10Å | |
N01 | H17 | sing | 0.97Å | 1.00Å | |
N01 | H18 | sing | 0.97Å | 1.00Å | |
N08 | H19 | sing | 0.97Å | 1.00Å | |
C09 | H20 | sing | 1.09Å | 1.10Å | |
C09 | H21 | sing | 1.09Å | 1.10Å | |
C10 | H22 | sing | 1.09Å | 1.10Å | |
C10 | H23 | sing | 1.09Å | 1.10Å | |
C27 | H25 | sing | 1.09Å | 1.10Å | |
C27 | H26 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C25 | C24 | C23 | 113.3° | 108.9° |
C24 | C25 | C26 | 114.8° | 108.9° |
C24 | C25 | H3 | 108.1° | 109.6° |
C24 | C25 | H4 | 108.1° | 109.7° |
C25 | C24 | H5 | 108.5° | 109.6° |
C25 | C24 | H6 | 108.5° | 109.5° |
C24 | C23 | S20 | 128.9° | 124.2° |
C24 | C23 | C22 | 123.2° | 124.3° |
C23 | C24 | H5 | 108.5° | 109.6° |
C23 | C24 | H6 | 108.5° | 109.6° |
C25 | C26 | C27 | 113.4° | 109.1° |
C25 | C26 | H1 | 108.5° | 109.5° |
C25 | C26 | H2 | 108.5° | 109.6° |
C26 | C25 | H3 | 108.1° | 109.6° |
C26 | C25 | H4 | 108.1° | 109.6° |
C26 | C27 | C22 | 107.8° | 109.0° |
C27 | C26 | H1 | 108.5° | 109.5° |
C27 | C26 | H2 | 108.5° | 109.5° |
C26 | C27 | H25 | 109.9° | 109.5° |
C26 | C27 | H26 | 109.9° | 109.5° |
S20 | C23 | C22 | 107.9° | 111.5° |
C23 | S20 | C19 | 99.7° | 92.4° |
C23 | C22 | C27 | 120.8° | 123.2° |
C23 | C22 | C21 | 109.2° | 113.6° |
S20 | C19 | C21 | 108.1° | 109.7° |
S20 | C19 | N18 | 133.4° | 129.3° |
C27 | C22 | C21 | 130.0° | 123.2° |
C22 | C27 | H25 | 109.9° | 109.5° |
C22 | C27 | H26 | 109.9° | 109.6° |
C22 | C21 | C19 | 115.0° | 112.8° |
C22 | C21 | C02 | 125.3° | 128.0° |
C21 | C19 | N18 | 118.5° | 121.0° |
C19 | C21 | C02 | 119.7° | 119.2° |
C19 | N18 | C04 | 120.2° | 117.4° |
C21 | C02 | N01 | 122.8° | 122.1° |
C21 | C02 | N03 | 117.3° | 115.8° |
N18 | C04 | N03 | 122.5° | 123.8° |
N18 | C04 | S05 | 118.9° | 118.1° |
N01 | C02 | N03 | 119.9° | 122.1° |
C02 | N01 | H17 | 109.5° | 120.0° |
C02 | N01 | H18 | 109.5° | 120.0° |
C02 | N03 | C04 | 121.8° | 122.9° |
N03 | C04 | S05 | 118.6° | 118.1° |
C04 | S05 | C06 | 108.9° | 100.0° |
S05 | C06 | C07 | 111.3° | 109.5° |
S05 | C06 | H15 | 109.0° | 109.5° |
S05 | C06 | H16 | 109.0° | 109.5° |
C06 | C07 | N08 | 120.5° | 120.0° |
C06 | C07 | O17 | 120.0° | 120.0° |
C07 | C06 | H15 | 109.0° | 109.4° |
C07 | C06 | H16 | 109.0° | 109.5° |
O14 | C13 | C12 | 111.9° | 109.2° |
C13 | O14 | C15 | 115.4° | 113.7° |
O14 | C13 | H9 | 108.9° | 109.5° |
O14 | C13 | H10 | 108.8° | 109.5° |
C13 | C12 | N11 | 111.0° | 109.3° |
C12 | C13 | H9 | 108.9° | 109.5° |
C12 | C13 | H10 | 108.9° | 109.5° |
C13 | C12 | H11 | 109.1° | 109.5° |
C13 | C12 | H12 | 109.1° | 109.5° |
O14 | C15 | C16 | 113.5° | 109.3° |
O14 | C15 | H7 | 108.4° | 109.5° |
O14 | C15 | H8 | 108.5° | 109.5° |
C12 | N11 | C16 | 111.7° | 110.8° |
C12 | N11 | C10 | 111.8° | 111.0° |
N11 | C12 | H11 | 109.1° | 109.5° |
N11 | C12 | H12 | 109.1° | 109.5° |
N08 | C07 | O17 | 119.5° | 120.0° |
C07 | N08 | C09 | 121.0° | 120.0° |
C07 | N08 | H19 | 119.5° | 120.0° |
C15 | C16 | N11 | 109.9° | 109.2° |
C16 | C15 | H7 | 108.5° | 109.5° |
C16 | C15 | H8 | 108.5° | 109.5° |
C15 | C16 | H13 | 109.4° | 109.5° |
C15 | C16 | H14 | 109.4° | 109.5° |
N08 | C09 | C10 | 111.9° | 109.5° |
C09 | N08 | H19 | 119.5° | 120.0° |
N08 | C09 | H20 | 108.8° | 109.4° |
N08 | C09 | H21 | 108.9° | 109.5° |
C16 | N11 | C10 | 114.4° | 111.0° |
N11 | C16 | H13 | 109.4° | 109.5° |
N11 | C16 | H14 | 109.3° | 109.6° |
N11 | C10 | C09 | 112.8° | 109.5° |
N11 | C10 | H22 | 108.6° | 109.5° |
N11 | C10 | H23 | 108.7° | 109.5° |
C10 | C09 | H20 | 108.9° | 109.5° |
C10 | C09 | H21 | 108.9° | 109.5° |
C09 | C10 | H22 | 108.7° | 109.4° |
C09 | C10 | H23 | 108.6° | 109.5° |
H1 | C26 | H2 | 109.5° | 109.6° |
H3 | C25 | H4 | 109.5° | 109.5° |
H5 | C24 | H6 | 109.5° | 109.6° |
H7 | C15 | H8 | 109.5° | 109.5° |
H9 | C13 | H10 | 109.5° | 109.6° |
H11 | C12 | H12 | 109.4° | 109.5° |
H13 | C16 | H14 | 109.5° | 109.6° |
H15 | C06 | H16 | 109.5° | 109.4° |
H17 | N01 | H18 | 109.5° | 120.0° |
H20 | C09 | H21 | 109.5° | 109.5° |
H22 | C10 | H23 | 109.4° | 109.5° |
H25 | C27 | H26 | 109.4° | 109.7° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C25 | C24 | C23 | H5 | 120.6° | 119.9° |
C25 | C24 | C23 | H6 | 120.6° | 119.8° |
C24 | C25 | C26 | H3 | 120.8° | 119.8° |
C24 | C25 | C26 | H4 | 120.8° | 120.0° |
C24 | C25 | C26 | C27 | 55.8° | 70.4° |
C25 | C24 | C23 | S20 | 175.4° | 163.4° |
C25 | C24 | C23 | C22 | 4.5° | 16.7° |
C24 | C25 | C26 | H1 | 176.4° | 49.5° |
C24 | C25 | C26 | H2 | 64.8° | 169.7° |
C24 | C25 | H3 | H4 | 117.6° | 120.4° |
C25 | C24 | H5 | H6 | 118.2° | 120.2° |
C23 | C24 | C25 | C26 | 22.3° | 50.1° |
C24 | C23 | S20 | C22 | 179.9° | 180.0° |
C24 | C23 | S20 | C19 | 179.4° | 180.0° |
C24 | C23 | C22 | C27 | 0.2° | 0.1° |
C24 | C23 | C22 | C21 | 179.5° | 180.0° |
C23 | C24 | C25 | H3 | 98.4° | 69.7° |
C23 | C24 | C25 | H4 | 143.1° | 170.0° |
C23 | C24 | H5 | H6 | 118.2° | 120.3° |
C25 | C26 | C27 | H1 | 120.6° | 119.8° |
C25 | C26 | C27 | H2 | 120.6° | 120.0° |
C25 | C26 | C27 | C22 | 57.2° | 50.9° |
C25 | C26 | H1 | H2 | 118.2° | 120.3° |
C26 | C25 | H3 | H4 | 117.6° | 120.2° |
C26 | C25 | C24 | H5 | 98.3° | 169.9° |
C26 | C25 | C24 | H6 | 142.9° | 69.8° |
C25 | C26 | C27 | H25 | 62.5° | 170.7° |
C25 | C26 | C27 | H26 | 177.0° | 69.0° |
C26 | C27 | C22 | C23 | 30.3° | 17.3° |
C26 | C27 | C22 | H25 | 119.8° | 119.8° |
C26 | C27 | C22 | H26 | 119.7° | 119.8° |
C26 | C27 | C22 | C21 | 149.3° | 162.8° |
C27 | C26 | H1 | H2 | 118.2° | 120.1° |
C27 | C26 | C25 | H3 | 65.0° | 49.4° |
C27 | C26 | C25 | H4 | 176.6° | 169.6° |
C26 | C27 | H25 | H26 | 120.7° | 120.2° |
S20 | C23 | C22 | C27 | 179.9° | 180.0° |
S20 | C23 | C22 | C21 | 0.4° | 0.1° |
C23 | S20 | C19 | C21 | 0.4° | 0.0° |
C23 | S20 | C19 | N18 | 179.8° | 179.9° |
S20 | C23 | C24 | H5 | 54.8° | 43.5° |
S20 | C23 | C24 | H6 | 64.0° | 76.8° |
C22 | C23 | S20 | C19 | 0.5° | 0.0° |
C23 | C22 | C27 | C21 | 179.6° | 179.9° |
C23 | C22 | C21 | C19 | 0.1° | 0.1° |
C23 | C22 | C21 | C02 | 180.0° | 180.0° |
C22 | C23 | C24 | H5 | 125.1° | 136.5° |
C22 | C23 | C24 | H6 | 116.1° | 103.1° |
C23 | C22 | C27 | H25 | 89.5° | 137.1° |
C23 | C22 | C27 | H26 | 150.0° | 102.5° |
S20 | C19 | C21 | C22 | 0.2° | 0.0° |
S20 | C19 | C21 | N18 | 179.8° | 179.9° |
S20 | C19 | C21 | C02 | 179.6° | 180.0° |
S20 | C19 | N18 | C04 | 179.8° | 180.0° |
C27 | C22 | C21 | C19 | 179.7° | 180.0° |
C27 | C22 | C21 | C02 | 0.4° | 0.1° |
C22 | C27 | C26 | H1 | 177.8° | 69.0° |
C22 | C27 | C26 | H2 | 63.4° | 170.9° |
C22 | C27 | H25 | H26 | 120.8° | 120.3° |
C22 | C21 | C19 | C02 | 179.8° | 179.9° |
C22 | C21 | C19 | N18 | 180.0° | 180.0° |
C22 | C21 | C02 | N01 | 0.4° | 0.1° |
C22 | C21 | C02 | N03 | 179.5° | 180.0° |
C21 | C22 | C27 | H25 | 90.9° | 43.0° |
C21 | C22 | C27 | H26 | 29.6° | 77.4° |
C21 | C19 | N18 | C04 | 0.0° | 0.0° |
C19 | C21 | C02 | N01 | 179.8° | 180.0° |
C19 | C21 | C02 | N03 | 0.4° | 0.1° |
N18 | C19 | C21 | C02 | 0.2° | 0.1° |
C19 | N18 | C04 | N03 | 0.8° | 0.0° |
C19 | N18 | C04 | S05 | 178.9° | 180.0° |
C21 | C02 | N01 | N03 | 179.8° | 179.9° |
C21 | C02 | N03 | C04 | 1.2° | 0.0° |
C21 | C02 | N01 | H17 | 179.8° | 170.0° |
C21 | C02 | N01 | H18 | 59.8° | 9.8° |
N18 | C04 | N03 | C02 | 1.4° | 0.0° |
N18 | C04 | N03 | S05 | 179.7° | 180.0° |
N18 | C04 | S05 | C06 | 172.6° | 180.0° |
N01 | C02 | N03 | C04 | 179.0° | 180.0° |
C02 | N01 | H17 | H18 | 120.0° | 179.9° |
C02 | N03 | C04 | S05 | 178.2° | 180.0° |
N03 | C02 | N01 | H17 | 0.0° | 10.0° |
N03 | C02 | N01 | H18 | 120.0° | 170.1° |
N03 | C04 | S05 | C06 | 7.1° | 0.0° |
C04 | S05 | C06 | C07 | 105.0° | 180.0° |
C04 | S05 | C06 | H15 | 15.3° | 60.0° |
C04 | S05 | C06 | H16 | 134.7° | 60.0° |
S05 | C06 | C07 | H15 | 120.3° | 120.0° |
S05 | C06 | C07 | H16 | 120.3° | 120.0° |
S05 | C06 | C07 | N08 | 57.6° | 180.0° |
S05 | C06 | C07 | O17 | 122.3° | 0.0° |
S05 | C06 | H15 | H16 | 119.1° | 120.0° |
C06 | C07 | N08 | O17 | 179.8° | 180.0° |
C06 | C07 | N08 | C09 | 179.4° | 180.0° |
C07 | C06 | H15 | H16 | 119.2° | 120.0° |
C06 | C07 | N08 | H19 | 0.6° | 0.1° |
O14 | C13 | C12 | H9 | 120.4° | 119.9° |
O14 | C13 | C12 | H10 | 120.3° | 119.9° |
O14 | C13 | C12 | N11 | 13.2° | 56.9° |
C13 | O14 | C15 | C16 | 49.3° | 58.7° |
C13 | O14 | C15 | H7 | 71.3° | 61.2° |
C13 | O14 | C15 | H8 | 169.9° | 178.6° |
O14 | C13 | H9 | H10 | 118.9° | 120.1° |
O14 | C13 | C12 | H11 | 133.4° | 176.8° |
O14 | C13 | C12 | H12 | 107.0° | 63.1° |
C12 | C13 | O14 | C15 | 41.5° | 58.7° |
C13 | C12 | N11 | H11 | 120.3° | 119.9° |
C13 | C12 | N11 | H12 | 120.2° | 120.0° |
C13 | C12 | N11 | C16 | 62.8° | 58.6° |
C13 | C12 | N11 | C10 | 167.5° | 177.6° |
C12 | C13 | H9 | H10 | 118.9° | 120.1° |
C13 | C12 | H11 | H12 | 119.3° | 120.1° |
O14 | C15 | C16 | H7 | 120.6° | 119.9° |
O14 | C15 | C16 | H8 | 120.6° | 119.9° |
O14 | C15 | C16 | N11 | 0.7° | 56.9° |
O14 | C15 | H7 | H8 | 118.2° | 120.1° |
C15 | O14 | C13 | H9 | 161.9° | 178.6° |
C15 | O14 | C13 | H10 | 78.9° | 61.2° |
O14 | C15 | C16 | H13 | 120.8° | 63.0° |
O14 | C15 | C16 | H14 | 119.4° | 176.8° |
C12 | N11 | C16 | C15 | 54.6° | 58.6° |
C12 | N11 | C16 | C10 | 128.3° | 123.8° |
C12 | N11 | C10 | C09 | 111.6° | 170.0° |
N11 | C12 | C13 | H9 | 107.2° | 176.8° |
N11 | C12 | C13 | H10 | 133.5° | 63.1° |
N11 | C12 | H11 | H12 | 119.3° | 120.1° |
C12 | N11 | C16 | H13 | 65.5° | 61.3° |
C12 | N11 | C16 | H14 | 174.6° | 178.5° |
C12 | N11 | C10 | H22 | 9.0° | 70.0° |
C12 | N11 | C10 | H23 | 127.9° | 50.0° |
C07 | N08 | C09 | H19 | 180.0° | 179.9° |
C07 | N08 | C09 | C10 | 146.6° | 180.0° |
N08 | C07 | C06 | H15 | 62.7° | 60.0° |
N08 | C07 | C06 | H16 | 177.8° | 60.0° |
C07 | N08 | C09 | H20 | 93.1° | 60.0° |
C07 | N08 | C09 | H21 | 26.2° | 60.0° |
O17 | C07 | N08 | C09 | 0.5° | 0.0° |
O17 | C07 | C06 | H15 | 117.4° | 120.0° |
O17 | C07 | C06 | H16 | 2.0° | 120.1° |
O17 | C07 | N08 | H19 | 179.5° | 179.9° |
C15 | C16 | N11 | H13 | 120.1° | 119.9° |
C15 | C16 | N11 | H14 | 120.1° | 119.9° |
C15 | C16 | N11 | C10 | 177.1° | 177.6° |
C16 | C15 | H7 | H8 | 118.2° | 120.1° |
C15 | C16 | H13 | H14 | 119.8° | 120.1° |
N08 | C09 | C10 | N11 | 39.1° | 180.0° |
N08 | C09 | C10 | H20 | 120.3° | 119.9° |
N08 | C09 | C10 | H21 | 120.4° | 120.0° |
N08 | C09 | H20 | H21 | 118.9° | 120.0° |
N08 | C09 | C10 | H22 | 81.4° | 60.0° |
N08 | C09 | C10 | H23 | 159.7° | 60.0° |
C16 | N11 | C10 | C09 | 120.2° | 66.3° |
N11 | C16 | C15 | H7 | 119.9° | 63.1° |
N11 | C16 | C15 | H8 | 121.3° | 176.8° |
C16 | N11 | C12 | H11 | 177.0° | 178.6° |
C16 | N11 | C12 | H12 | 57.5° | 61.3° |
N11 | C16 | H13 | H14 | 119.8° | 120.2° |
C16 | N11 | C10 | H22 | 119.3° | 53.6° |
C16 | N11 | C10 | H23 | 0.3° | 173.7° |
N11 | C10 | C09 | H22 | 120.5° | 120.0° |
N11 | C10 | C09 | H23 | 120.5° | 120.0° |
C10 | N11 | C12 | H11 | 47.3° | 57.7° |
C10 | N11 | C12 | H12 | 72.2° | 62.4° |
C10 | N11 | C16 | H13 | 62.8° | 62.5° |
C10 | N11 | C16 | H14 | 57.0° | 57.7° |
N11 | C10 | C09 | H20 | 81.2° | 60.0° |
N11 | C10 | C09 | H21 | 159.5° | 60.0° |
N11 | C10 | H22 | H23 | 118.5° | 120.0° |
C10 | C09 | N08 | H19 | 33.4° | 0.1° |
C10 | C09 | H20 | H21 | 118.9° | 120.0° |
C09 | C10 | H22 | H23 | 118.5° | 120.0° |
H1 | C26 | C25 | H3 | 55.6° | 169.3° |
H1 | C26 | C25 | H4 | 62.8° | 70.5° |
H1 | C26 | C27 | H25 | 58.1° | 50.8° |
H1 | C26 | C27 | H26 | 62.4° | 171.2° |
H2 | C26 | C25 | H3 | 174.4° | 70.5° |
H2 | C26 | C25 | H4 | 56.0° | 49.7° |
H2 | C26 | C27 | H25 | 176.9° | 69.3° |
H2 | C26 | C27 | H26 | 56.4° | 51.0° |
H3 | C25 | C24 | H5 | 141.0° | 50.1° |
H3 | C25 | C24 | H6 | 22.1° | 170.4° |
H4 | C25 | C24 | H5 | 22.5° | 70.1° |
H4 | C25 | C24 | H6 | 96.3° | 50.1° |
H7 | C15 | C16 | H13 | 0.2° | 177.1° |
H7 | C15 | C16 | H14 | 120.1° | 56.9° |
H8 | C15 | C16 | H13 | 118.6° | 56.9° |
H8 | C15 | C16 | H14 | 1.2° | 63.2° |
H9 | C13 | C12 | H11 | 13.1° | 63.3° |
H9 | C13 | C12 | H12 | 132.6° | 56.9° |
H10 | C13 | C12 | H11 | 106.2° | 56.9° |
H10 | C13 | C12 | H12 | 13.3° | 177.0° |
H19 | N08 | C09 | H20 | 86.9° | 120.1° |
H19 | N08 | C09 | H21 | 153.8° | 119.9° |
H20 | C09 | C10 | H22 | 158.3° | 180.0° |
H20 | C09 | C10 | H23 | 39.3° | 60.0° |
H21 | C09 | C10 | H22 | 39.0° | 60.0° |
H21 | C09 | C10 | H23 | 80.0° | 180.0° |