FI9
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N15 | C16 | sing | 1.35Å | 1.33Å | |
N15 | C13 | sing | 1.35Å | 1.35Å | |
C16 | C10 | doub | 1.38Å | 1.40Å | |
O14 | C13 | doub | 1.22Å | 1.17Å | |
C13 | C12 | sing | 1.41Å | 1.40Å | |
O09 | C08 | doub | 1.22Å | 1.20Å | |
C10 | C08 | sing | 1.47Å | 1.53Å | |
C10 | C11 | sing | 1.42Å | 1.39Å | |
C08 | N05 | sing | 1.35Å | 1.54Å | |
C12 | C11 | doub | 1.36Å | 1.41Å | |
C07 | C06 | sing | 1.53Å | 1.54Å | |
C07 | C02 | sing | 1.53Å | 1.49Å | |
N05 | C04 | sing | 1.47Å | 1.53Å | |
N05 | C06 | sing | 1.47Å | 1.52Å | |
C04 | C03 | sing | 1.53Å | 1.56Å | |
N01 | C02 | sing | 1.47Å | 1.51Å | |
C02 | C03 | sing | 1.53Å | 1.52Å | |
C02 | H1 | sing | 1.09Å | 1.10Å | |
C03 | H2 | sing | 1.09Å | 1.10Å | |
C03 | H3 | sing | 1.09Å | 1.10Å | |
C04 | H4 | sing | 1.09Å | 1.10Å | |
C04 | H5 | sing | 1.09Å | 1.10Å | |
C06 | H6 | sing | 1.09Å | 1.10Å | |
C06 | H7 | sing | 1.09Å | 1.10Å | |
C07 | H8 | sing | 1.09Å | 1.10Å | |
C07 | H9 | sing | 1.09Å | 1.10Å | |
C11 | H10 | sing | 1.08Å | 1.08Å | |
C12 | H11 | sing | 1.08Å | 1.08Å | |
C16 | H13 | sing | 1.08Å | 1.08Å | |
N01 | H14 | sing | 1.01Å | 1.00Å | |
N01 | H15 | sing | 1.01Å | 1.00Å | |
N15 | H12 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C16 | N15 | C13 | 120.4° | 121.0° |
N15 | C16 | C10 | 121.3° | 120.5° |
N15 | C16 | H13 | 119.4° | 119.7° |
C16 | N15 | H12 | 119.8° | 119.5° |
N15 | C13 | O14 | 119.5° | 119.7° |
N15 | C13 | C12 | 121.4° | 120.5° |
C13 | N15 | H12 | 119.8° | 119.4° |
C16 | C10 | C08 | 117.4° | 120.3° |
C16 | C10 | C11 | 119.8° | 119.4° |
C10 | C16 | H13 | 119.3° | 119.8° |
O14 | C13 | C12 | 119.1° | 119.7° |
C13 | C12 | C11 | 118.9° | 119.5° |
C13 | C12 | H11 | 120.6° | 120.3° |
O09 | C08 | C10 | 116.4° | 120.0° |
O09 | C08 | N05 | 117.7° | 120.0° |
C08 | C10 | C11 | 122.7° | 120.3° |
C10 | C08 | N05 | 125.8° | 120.0° |
C10 | C11 | C12 | 118.1° | 119.0° |
C10 | C11 | H10 | 120.9° | 120.5° |
C08 | N05 | C04 | 122.0° | 120.6° |
C08 | N05 | C06 | 126.4° | 120.6° |
C12 | C11 | H10 | 121.0° | 120.4° |
C11 | C12 | H11 | 120.6° | 120.3° |
C06 | C07 | C02 | 107.8° | 109.3° |
C07 | C06 | N05 | 113.1° | 108.8° |
C07 | C06 | H6 | 108.6° | 109.6° |
C07 | C06 | H7 | 108.6° | 109.6° |
C06 | C07 | H8 | 109.9° | 109.4° |
C06 | C07 | H9 | 109.9° | 109.5° |
C07 | C02 | N01 | 107.7° | 109.4° |
C07 | C02 | C03 | 113.0° | 109.5° |
C07 | C02 | H1 | 109.0° | 109.5° |
C02 | C07 | H8 | 109.9° | 109.5° |
C02 | C07 | H9 | 109.9° | 109.5° |
C04 | N05 | C06 | 111.6° | 118.7° |
N05 | C04 | C03 | 118.8° | 108.8° |
N05 | C04 | H4 | 107.1° | 109.6° |
N05 | C04 | H5 | 107.1° | 109.7° |
N05 | C06 | H6 | 108.6° | 109.6° |
N05 | C06 | H7 | 108.6° | 109.7° |
C04 | C03 | C02 | 117.7° | 109.3° |
C04 | C03 | H2 | 107.4° | 109.5° |
C04 | C03 | H3 | 107.4° | 109.5° |
C03 | C04 | H4 | 107.1° | 109.6° |
C03 | C04 | H5 | 107.1° | 109.6° |
N01 | C02 | C03 | 109.7° | 109.4° |
N01 | C02 | H1 | 108.7° | 109.5° |
C02 | N01 | H14 | 109.5° | 110.9° |
C02 | N01 | H15 | 109.4° | 111.0° |
C03 | C02 | H1 | 108.7° | 109.4° |
C02 | C03 | H2 | 107.4° | 109.5° |
C02 | C03 | H3 | 107.4° | 109.5° |
H2 | C03 | H3 | 109.5° | 109.5° |
H4 | C04 | H5 | 109.5° | 109.6° |
H6 | C06 | H7 | 109.5° | 109.6° |
H8 | C07 | H9 | 109.5° | 109.5° |
H14 | N01 | H15 | 109.5° | 111.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C16 | N15 | C13 | H12 | 180.0° | 179.4° |
N15 | C16 | C10 | H13 | 180.0° | 179.8° |
C16 | N15 | C13 | O14 | 179.8° | 179.8° |
C16 | N15 | C13 | C12 | 0.0° | 0.2° |
N15 | C16 | C10 | C08 | 179.7° | 179.7° |
N15 | C16 | C10 | C11 | 1.4° | 0.5° |
C13 | N15 | C16 | C10 | 0.6° | 0.5° |
N15 | C13 | O14 | C12 | 179.8° | 180.0° |
N15 | C13 | C12 | C11 | 0.1° | 0.1° |
N15 | C13 | C12 | H11 | 179.9° | 180.0° |
C13 | N15 | C16 | H13 | 179.4° | 179.7° |
C16 | C10 | C08 | O09 | 20.8° | 99.4° |
C16 | C10 | C08 | C11 | 178.2° | 179.8° |
C16 | C10 | C08 | N05 | 158.8° | 80.5° |
C16 | C10 | C11 | C12 | 1.5° | 0.2° |
C16 | C10 | C11 | H10 | 178.5° | 179.8° |
C10 | C16 | N15 | H12 | 179.4° | 179.9° |
O14 | C13 | C12 | C11 | 179.6° | 179.9° |
O14 | C13 | C12 | H11 | 0.3° | 0.0° |
O14 | C13 | N15 | H12 | 0.2° | 0.3° |
C13 | C12 | C11 | C10 | 0.9° | 0.1° |
C13 | C12 | C11 | H11 | 180.0° | 179.9° |
C13 | C12 | C11 | H10 | 179.1° | 180.0° |
C12 | C13 | N15 | H12 | 180.0° | 179.7° |
O09 | C08 | C10 | N05 | 179.6° | 180.0° |
O09 | C08 | C10 | C11 | 157.5° | 80.8° |
O09 | C08 | N05 | C04 | 0.7° | 174.8° |
O09 | C08 | N05 | C06 | 179.4° | 5.3° |
C08 | C10 | C11 | C12 | 179.7° | 180.0° |
C10 | C08 | N05 | C04 | 179.7° | 5.2° |
C10 | C08 | N05 | C06 | 0.2° | 174.8° |
C08 | C10 | C11 | H10 | 0.3° | 0.0° |
C08 | C10 | C16 | H13 | 0.3° | 0.1° |
C11 | C10 | C08 | N05 | 22.9° | 99.2° |
C10 | C11 | C12 | H10 | 180.0° | 179.9° |
C10 | C11 | C12 | H11 | 179.2° | 180.0° |
C11 | C10 | C16 | H13 | 178.6° | 179.7° |
C08 | N05 | C06 | C07 | 144.5° | 126.4° |
C08 | N05 | C04 | C06 | 179.9° | 180.0° |
C08 | N05 | C04 | C03 | 168.8° | 126.4° |
C08 | N05 | C04 | H4 | 47.5° | 6.6° |
C08 | N05 | C04 | H5 | 69.9° | 113.7° |
C08 | N05 | C06 | H6 | 94.9° | 113.8° |
C08 | N05 | C06 | H7 | 24.0° | 6.5° |
C06 | C07 | C02 | H8 | 119.8° | 119.9° |
C06 | C07 | C02 | H9 | 119.7° | 120.0° |
C07 | C06 | N05 | C04 | 35.6° | 53.6° |
C07 | C06 | N05 | H6 | 120.5° | 119.8° |
C07 | C06 | N05 | H7 | 120.5° | 119.9° |
C06 | C07 | C02 | N01 | 174.0° | 178.6° |
C06 | C07 | C02 | C03 | 52.7° | 61.4° |
C06 | C07 | C02 | H1 | 68.2° | 58.6° |
C07 | C06 | H6 | H7 | 118.3° | 120.3° |
C06 | C07 | H8 | H9 | 120.8° | 120.1° |
C02 | C07 | C06 | N05 | 70.2° | 54.6° |
C07 | C02 | C03 | C04 | 7.6° | 61.4° |
C07 | C02 | N01 | C03 | 123.4° | 120.0° |
C07 | C02 | N01 | H1 | 117.9° | 120.1° |
C07 | C02 | C03 | H1 | 121.1° | 120.1° |
C07 | C02 | C03 | H2 | 128.8° | 58.5° |
C07 | C02 | C03 | H3 | 113.6° | 178.7° |
C02 | C07 | C06 | H6 | 50.3° | 65.1° |
C02 | C07 | C06 | H7 | 169.2° | 174.6° |
C02 | C07 | H8 | H9 | 120.7° | 120.1° |
C07 | C02 | N01 | H14 | 180.0° | 60.0° |
C07 | C02 | N01 | H15 | 60.0° | 176.1° |
N05 | C04 | C03 | H4 | 121.3° | 119.7° |
N05 | C04 | C03 | H5 | 121.3° | 120.0° |
N05 | C04 | C03 | C02 | 26.5° | 54.7° |
N05 | C04 | C03 | H2 | 94.7° | 65.3° |
N05 | C04 | C03 | H3 | 147.6° | 174.6° |
N05 | C04 | H4 | H5 | 115.8° | 120.4° |
C04 | N05 | C06 | H6 | 84.9° | 66.2° |
C04 | N05 | C06 | H7 | 156.1° | 173.5° |
C06 | N05 | C04 | C03 | 11.1° | 53.6° |
C06 | N05 | C04 | H4 | 132.4° | 173.4° |
C06 | N05 | C04 | H5 | 110.2° | 66.3° |
N05 | C06 | H6 | H7 | 118.3° | 120.4° |
N05 | C06 | C07 | H8 | 49.5° | 174.6° |
N05 | C06 | C07 | H9 | 170.0° | 65.4° |
C04 | C03 | C02 | N01 | 127.8° | 178.6° |
C04 | C03 | C02 | H2 | 121.2° | 119.9° |
C04 | C03 | C02 | H3 | 121.2° | 119.9° |
C04 | C03 | C02 | H1 | 113.5° | 58.7° |
C04 | C03 | H2 | H3 | 116.3° | 120.1° |
C03 | C04 | H4 | H5 | 115.8° | 120.3° |
N01 | C02 | C03 | H1 | 118.7° | 120.0° |
N01 | C02 | C03 | H2 | 111.0° | 61.4° |
N01 | C02 | C03 | H3 | 6.7° | 58.7° |
N01 | C02 | C07 | H8 | 54.3° | 58.7° |
N01 | C02 | C07 | H9 | 66.2° | 61.4° |
C02 | N01 | H14 | H15 | 120.0° | 123.9° |
C02 | C03 | H2 | H3 | 116.2° | 120.1° |
C02 | C03 | C04 | H4 | 147.8° | 174.4° |
C02 | C03 | C04 | H5 | 94.8° | 65.3° |
C03 | C02 | C07 | H8 | 67.1° | 178.7° |
C03 | C02 | C07 | H9 | 172.4° | 58.6° |
C03 | C02 | N01 | H14 | 56.6° | 180.0° |
C03 | C02 | N01 | H15 | 63.4° | 56.1° |
H1 | C02 | C03 | H2 | 7.7° | 178.6° |
H1 | C02 | C03 | H3 | 125.4° | 61.3° |
H1 | C02 | C07 | H8 | 172.0° | 61.3° |
H1 | C02 | C07 | H9 | 51.5° | 178.6° |
H1 | C02 | N01 | H14 | 62.1° | 60.1° |
H1 | C02 | N01 | H15 | 177.9° | 63.8° |
H2 | C03 | C04 | H4 | 26.6° | 54.4° |
H2 | C03 | C04 | H5 | 144.0° | 174.7° |
H3 | C03 | C04 | H4 | 91.0° | 65.6° |
H3 | C03 | C04 | H5 | 26.3° | 54.6° |
H6 | C06 | C07 | H8 | 170.1° | 54.8° |
H6 | C06 | C07 | H9 | 69.4° | 174.9° |
H7 | C06 | C07 | H8 | 71.0° | 65.5° |
H7 | C06 | C07 | H9 | 49.5° | 54.6° |
H10 | C11 | C12 | H11 | 0.8° | 0.1° |
H13 | C16 | N15 | H12 | 0.7° | 0.3° |