7P8
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C07 | N06 | sing | 1.47Å | 1.45Å | |
N06 | C03 | sing | 1.47Å | 1.46Å | |
C02 | C03 | sing | 1.53Å | 1.53Å | |
C02 | O01 | sing | 1.43Å | 1.41Å | |
C02 | C08 | sing | 1.53Å | 1.54Å | |
C03 | C04 | sing | 1.53Å | 1.53Å | |
C10 | N09 | sing | 1.47Å | 1.46Å | |
N09 | C08 | sing | 1.47Å | 1.46Å | |
C08 | C11 | sing | 1.53Å | 1.55Å | |
C04 | O05 | sing | 1.43Å | 1.41Å | |
C04 | C13 | sing | 1.53Å | 1.53Å | |
C11 | C13 | sing | 1.53Å | 1.54Å | |
C11 | O12 | sing | 1.43Å | 1.41Å | |
C13 | O14 | sing | 1.43Å | 1.41Å | |
C18 | C17 | sing | 1.53Å | 1.50Å | |
O16 | C17 | sing | 1.43Å | 1.47Å | |
O16 | C15 | sing | 1.43Å | 1.49Å | |
O14 | C15 | sing | 1.43Å | 1.36Å | |
C17 | C21 | sing | 1.53Å | 1.53Å | |
C15 | C19 | sing | 1.53Å | 1.51Å | |
C21 | C20 | sing | 1.53Å | 1.49Å | |
C19 | C20 | sing | 1.53Å | 1.48Å | |
C19 | O23 | sing | 1.43Å | 1.44Å | |
C20 | O22 | sing | 1.43Å | 1.46Å | |
C02 | H1 | sing | 1.09Å | 1.10Å | |
C03 | H2 | sing | 1.09Å | 1.10Å | |
C04 | H3 | sing | 1.09Å | 1.10Å | |
C07 | H4 | sing | 1.09Å | 1.10Å | |
C07 | H5 | sing | 1.09Å | 1.10Å | |
C07 | H6 | sing | 1.09Å | 1.10Å | |
C08 | H7 | sing | 1.09Å | 1.10Å | |
C10 | H8 | sing | 1.09Å | 1.10Å | |
C10 | H9 | sing | 1.09Å | 1.10Å | |
C10 | H10 | sing | 1.09Å | 1.10Å | |
C11 | H11 | sing | 1.09Å | 1.10Å | |
C13 | H12 | sing | 1.09Å | 1.10Å | |
C15 | H13 | sing | 1.09Å | 1.10Å | |
C17 | H14 | sing | 1.09Å | 1.10Å | |
C18 | H15 | sing | 1.09Å | 1.10Å | |
C18 | H16 | sing | 1.09Å | 1.10Å | |
C18 | H17 | sing | 1.09Å | 1.10Å | |
C19 | H18 | sing | 1.09Å | 1.10Å | |
C20 | H19 | sing | 1.09Å | 1.10Å | |
C21 | H20 | sing | 1.09Å | 1.10Å | |
C21 | H21 | sing | 1.09Å | 1.10Å | |
N06 | H22 | sing | 1.01Å | 1.00Å | |
N09 | H24 | sing | 1.01Å | 1.00Å | |
O01 | H26 | sing | 0.97Å | 0.95Å | |
O05 | H27 | sing | 0.97Å | 0.95Å | |
O12 | H28 | sing | 0.97Å | 0.95Å | |
O22 | H29 | sing | 0.97Å | 0.95Å | |
O23 | H30 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C07 | N06 | C03 | 109.7° | 111.0° |
N06 | C07 | H4 | 109.5° | 109.5° |
N06 | C07 | H5 | 109.5° | 109.5° |
N06 | C07 | H6 | 109.5° | 109.5° |
C07 | N06 | H22 | 109.4° | 110.9° |
N06 | C03 | C02 | 110.1° | 109.5° |
N06 | C03 | C04 | 107.6° | 109.5° |
N06 | C03 | H2 | 109.9° | 109.5° |
C03 | N06 | H22 | 109.4° | 111.0° |
C03 | C02 | O01 | 108.0° | 109.5° |
C03 | C02 | C08 | 111.6° | 109.5° |
C02 | C03 | C04 | 111.5° | 109.5° |
C03 | C02 | H1 | 108.5° | 109.5° |
C02 | C03 | H2 | 108.9° | 109.4° |
O01 | C02 | C08 | 110.2° | 109.5° |
O01 | C02 | H1 | 110.2° | 109.5° |
C02 | O01 | H26 | 109.5° | 114.0° |
C02 | C08 | N09 | 108.3° | 109.5° |
C02 | C08 | C11 | 112.2° | 109.4° |
C08 | C02 | H1 | 108.4° | 109.4° |
C02 | C08 | H7 | 108.3° | 109.5° |
C03 | C04 | O05 | 108.1° | 109.5° |
C03 | C04 | C13 | 111.7° | 109.5° |
C04 | C03 | H2 | 108.8° | 109.5° |
C03 | C04 | H3 | 108.8° | 109.5° |
C10 | N09 | C08 | 110.1° | 111.0° |
N09 | C10 | H8 | 109.5° | 109.4° |
N09 | C10 | H9 | 109.5° | 109.5° |
N09 | C10 | H10 | 109.5° | 109.5° |
C10 | N09 | H24 | 109.3° | 111.0° |
N09 | C08 | C11 | 110.4° | 109.5° |
N09 | C08 | H7 | 109.4° | 109.5° |
C08 | N09 | H24 | 109.3° | 111.0° |
C08 | C11 | C13 | 111.6° | 109.5° |
C08 | C11 | O12 | 110.5° | 109.5° |
C11 | C08 | H7 | 108.2° | 109.5° |
C08 | C11 | H11 | 108.5° | 109.5° |
O05 | C04 | C13 | 108.9° | 109.5° |
O05 | C04 | H3 | 110.6° | 109.5° |
C04 | O05 | H27 | 109.5° | 114.0° |
C04 | C13 | C11 | 111.1° | 109.5° |
C04 | C13 | O14 | 109.5° | 109.4° |
C13 | C04 | H3 | 108.8° | 109.4° |
C04 | C13 | H12 | 108.5° | 109.4° |
C13 | C11 | O12 | 107.4° | 109.4° |
C11 | C13 | O14 | 109.1° | 109.5° |
C13 | C11 | H11 | 108.6° | 109.4° |
C11 | C13 | H12 | 108.5° | 109.5° |
O12 | C11 | H11 | 110.3° | 109.5° |
C11 | O12 | H28 | 109.5° | 114.1° |
C13 | O14 | C15 | 109.7° | 114.0° |
O14 | C13 | H12 | 110.1° | 109.4° |
C18 | C17 | O16 | 108.1° | 109.5° |
C18 | C17 | C21 | 109.7° | 109.5° |
C18 | C17 | H14 | 108.9° | 109.5° |
C17 | C18 | H15 | 109.5° | 109.4° |
C17 | C18 | H16 | 109.5° | 109.5° |
C17 | C18 | H17 | 109.5° | 109.5° |
C17 | O16 | C15 | 111.7° | 114.1° |
O16 | C17 | C21 | 112.3° | 109.4° |
O16 | C17 | H14 | 109.3° | 109.5° |
O16 | C15 | O14 | 108.8° | 109.5° |
O16 | C15 | C19 | 109.2° | 109.4° |
O16 | C15 | H13 | 109.4° | 109.4° |
O14 | C15 | C19 | 109.2° | 109.5° |
O14 | C15 | H13 | 111.2° | 109.5° |
C17 | C21 | C20 | 113.1° | 109.2° |
C21 | C17 | H14 | 108.5° | 109.5° |
C17 | C21 | H20 | 108.6° | 109.5° |
C17 | C21 | H21 | 108.6° | 109.5° |
C15 | C19 | C20 | 111.3° | 109.2° |
C15 | C19 | O23 | 109.1° | 109.5° |
C19 | C15 | H13 | 109.0° | 109.5° |
C15 | C19 | H18 | 108.4° | 109.5° |
C21 | C20 | C19 | 111.5° | 109.0° |
C21 | C20 | O22 | 109.3° | 109.5° |
C21 | C20 | H19 | 109.3° | 109.6° |
C20 | C21 | H20 | 108.6° | 109.5° |
C20 | C21 | H21 | 108.5° | 109.5° |
C20 | C19 | O23 | 109.9° | 109.5° |
C19 | C20 | O22 | 107.2° | 109.6° |
C20 | C19 | H18 | 108.8° | 109.5° |
C19 | C20 | H19 | 109.5° | 109.5° |
O23 | C19 | H18 | 109.3° | 109.6° |
C19 | O23 | H30 | 109.5° | 114.0° |
O22 | C20 | H19 | 109.9° | 109.6° |
C20 | O22 | H29 | 109.5° | 114.0° |
H4 | C07 | H5 | 109.5° | 109.4° |
H4 | C07 | H6 | 109.5° | 109.5° |
H5 | C07 | H6 | 109.4° | 109.4° |
H8 | C10 | H9 | 109.5° | 109.5° |
H8 | C10 | H10 | 109.5° | 109.5° |
H9 | C10 | H10 | 109.5° | 109.5° |
H15 | C18 | H16 | 109.4° | 109.5° |
H15 | C18 | H17 | 109.5° | 109.4° |
H16 | C18 | H17 | 109.5° | 109.5° |
H20 | C21 | H21 | 109.5° | 109.6° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C07 | N06 | C03 | H22 | 120.0° | 123.9° |
C07 | N06 | C03 | C02 | 61.5° | 155.0° |
C07 | N06 | C03 | C04 | 176.7° | 85.0° |
C07 | N06 | C03 | H2 | 58.4° | 35.0° |
N06 | C07 | H4 | H5 | 120.0° | 120.0° |
N06 | C07 | H4 | H6 | 120.0° | 120.0° |
N06 | C07 | H5 | H6 | 120.0° | 120.0° |
N06 | C03 | C02 | C04 | 119.4° | 120.0° |
N06 | C03 | C02 | H2 | 120.5° | 120.0° |
N06 | C03 | C02 | O01 | 52.1° | 60.0° |
N06 | C03 | C02 | C08 | 173.4° | 180.0° |
N06 | C03 | C04 | H2 | 119.0° | 120.1° |
N06 | C03 | C04 | O05 | 63.6° | 60.0° |
N06 | C03 | C04 | C13 | 176.6° | 179.9° |
N06 | C03 | C02 | H1 | 67.3° | 60.0° |
N06 | C03 | C04 | H3 | 56.5° | 60.0° |
C03 | N06 | C07 | H4 | 180.0° | 180.0° |
C03 | N06 | C07 | H5 | 60.0° | 60.0° |
C03 | N06 | C07 | H6 | 60.0° | 60.0° |
C03 | C02 | O01 | C08 | 122.2° | 120.0° |
C03 | C02 | O01 | H1 | 118.3° | 120.0° |
C03 | C02 | C08 | H1 | 119.4° | 120.0° |
C02 | C03 | C04 | H2 | 120.1° | 120.0° |
C03 | C02 | C08 | N09 | 175.0° | 180.0° |
C03 | C02 | C08 | C11 | 52.9° | 60.1° |
C02 | C03 | C04 | O05 | 175.6° | 180.0° |
C02 | C03 | C04 | C13 | 55.7° | 60.0° |
C02 | C03 | C04 | H3 | 64.3° | 60.0° |
C03 | C02 | C08 | H7 | 66.5° | 59.9° |
C02 | C03 | N06 | H22 | 58.5° | 31.1° |
C03 | C02 | O01 | H26 | 180.0° | 180.0° |
O01 | C02 | C08 | H1 | 120.6° | 120.0° |
O01 | C02 | C03 | C04 | 67.3° | 60.0° |
O01 | C02 | C08 | N09 | 54.9° | 60.0° |
O01 | C02 | C08 | C11 | 67.2° | 60.0° |
O01 | C02 | C03 | H2 | 172.6° | 180.0° |
O01 | C02 | C08 | H7 | 173.4° | 180.0° |
C08 | C02 | C03 | C04 | 54.0° | 60.0° |
C02 | C08 | N09 | C10 | 145.3° | 155.0° |
C02 | C08 | N09 | C11 | 123.2° | 119.9° |
C02 | C08 | N09 | H7 | 117.8° | 120.0° |
C02 | C08 | C11 | H7 | 119.5° | 120.0° |
C02 | C08 | C11 | C13 | 53.0° | 60.0° |
C02 | C08 | C11 | O12 | 172.5° | 180.0° |
C08 | C02 | C03 | H2 | 66.1° | 60.0° |
C02 | C08 | C11 | H11 | 66.5° | 59.9° |
C02 | C08 | N09 | H24 | 94.6° | 81.0° |
C08 | C02 | O01 | H26 | 57.8° | 60.0° |
C03 | C04 | O05 | C13 | 121.6° | 120.0° |
C03 | C04 | O05 | H3 | 119.0° | 120.0° |
C03 | C04 | C13 | H3 | 120.1° | 120.0° |
C03 | C04 | C13 | C11 | 55.7° | 60.0° |
C03 | C04 | C13 | O14 | 176.2° | 180.0° |
C04 | C03 | C02 | H1 | 173.3° | 180.0° |
C03 | C04 | C13 | H12 | 63.5° | 60.0° |
C04 | C03 | N06 | H22 | 63.2° | 151.1° |
C03 | C04 | O05 | H27 | 180.0° | 180.0° |
C10 | N09 | C08 | H24 | 120.1° | 123.9° |
C10 | N09 | C08 | C11 | 91.5° | 85.0° |
C10 | N09 | C08 | H7 | 27.5° | 35.0° |
N09 | C10 | H8 | H9 | 120.0° | 120.0° |
N09 | C10 | H8 | H10 | 120.0° | 120.0° |
N09 | C10 | H9 | H10 | 120.0° | 120.0° |
N09 | C08 | C11 | H7 | 119.6° | 120.0° |
N09 | C08 | C11 | C13 | 174.0° | 180.0° |
N09 | C08 | C11 | O12 | 66.6° | 60.1° |
N09 | C08 | C02 | H1 | 65.7° | 60.0° |
C08 | N09 | C10 | H8 | 180.0° | 180.0° |
C08 | N09 | C10 | H9 | 60.0° | 60.0° |
C08 | N09 | C10 | H10 | 60.0° | 60.0° |
N09 | C08 | C11 | H11 | 54.4° | 60.0° |
C08 | C11 | C13 | C04 | 54.1° | 60.0° |
C08 | C11 | C13 | O12 | 121.3° | 120.0° |
C08 | C11 | C13 | H11 | 119.5° | 120.0° |
C08 | C11 | O12 | H11 | 119.9° | 120.1° |
C08 | C11 | C13 | O14 | 174.9° | 180.0° |
C11 | C08 | C02 | H1 | 172.2° | 180.0° |
C08 | C11 | C13 | H12 | 65.1° | 60.0° |
C11 | C08 | N09 | H24 | 28.6° | 38.9° |
C08 | C11 | O12 | H28 | 180.0° | 174.1° |
O05 | C04 | C13 | H3 | 120.6° | 120.0° |
O05 | C04 | C13 | C11 | 175.0° | 180.0° |
O05 | C04 | C13 | O14 | 64.4° | 60.0° |
O05 | C04 | C03 | H2 | 55.4° | 60.0° |
O05 | C04 | C13 | H12 | 55.8° | 60.0° |
C04 | C13 | C11 | O14 | 120.8° | 120.0° |
C04 | C13 | C11 | H12 | 119.2° | 120.0° |
C04 | C13 | C11 | O12 | 175.3° | 180.0° |
C04 | C13 | O14 | H12 | 119.3° | 119.9° |
C04 | C13 | O14 | C15 | 117.6° | 141.5° |
C13 | C04 | C03 | H2 | 64.4° | 60.0° |
C04 | C13 | C11 | H11 | 65.4° | 60.0° |
C13 | C04 | O05 | H27 | 58.4° | 60.0° |
C13 | C11 | O12 | H11 | 118.1° | 120.0° |
C11 | C13 | O14 | H12 | 119.0° | 120.0° |
C11 | C13 | O14 | C15 | 120.7° | 98.5° |
C11 | C13 | C04 | H3 | 64.4° | 60.0° |
C13 | C11 | C08 | H7 | 66.4° | 60.0° |
C13 | C11 | O12 | H28 | 58.0° | 66.0° |
O12 | C11 | C13 | O14 | 63.9° | 60.0° |
O12 | C11 | C08 | H7 | 53.0° | 60.0° |
O12 | C11 | C13 | H12 | 56.1° | 60.0° |
C13 | O14 | C15 | O16 | 64.6° | 70.1° |
C13 | O14 | C15 | C19 | 176.3° | 170.0° |
O14 | C13 | C04 | H3 | 56.2° | 60.1° |
O14 | C13 | C11 | H11 | 55.4° | 60.0° |
C13 | O14 | C15 | H13 | 55.9° | 49.9° |
C18 | C17 | O16 | C21 | 121.1° | 120.0° |
C18 | C17 | O16 | H14 | 118.4° | 120.1° |
C18 | C17 | O16 | C15 | 174.6° | 178.9° |
C18 | C17 | C21 | H14 | 118.9° | 120.0° |
C18 | C17 | C21 | C20 | 168.6° | 177.6° |
C17 | C18 | H15 | H16 | 120.0° | 120.0° |
C17 | C18 | H15 | H17 | 120.0° | 120.0° |
C17 | C18 | H16 | H17 | 120.0° | 120.1° |
C18 | C17 | C21 | H20 | 48.0° | 57.7° |
C18 | C17 | C21 | H21 | 70.9° | 62.5° |
C17 | O16 | C15 | O14 | 178.1° | 178.9° |
O16 | C17 | C21 | H14 | 120.9° | 119.9° |
C17 | O16 | C15 | C19 | 59.0° | 61.1° |
O16 | C17 | C21 | C20 | 48.3° | 57.6° |
C17 | O16 | C15 | H13 | 60.2° | 58.9° |
O16 | C17 | C18 | H15 | 180.0° | 60.0° |
O16 | C17 | C18 | H16 | 60.0° | 60.0° |
O16 | C17 | C18 | H17 | 60.0° | 179.9° |
O16 | C17 | C21 | H20 | 72.2° | 62.3° |
O16 | C17 | C21 | H21 | 168.9° | 177.5° |
O16 | C15 | O14 | C19 | 119.1° | 120.0° |
O16 | C15 | O14 | H13 | 120.5° | 120.0° |
C15 | O16 | C17 | C21 | 53.4° | 61.1° |
O16 | C15 | C19 | H13 | 119.4° | 119.9° |
O16 | C15 | C19 | C20 | 60.1° | 57.6° |
O16 | C15 | C19 | O23 | 178.5° | 177.5° |
C15 | O16 | C17 | H14 | 67.0° | 58.8° |
O16 | C15 | C19 | H18 | 59.5° | 62.3° |
O14 | C15 | C19 | H13 | 121.7° | 120.1° |
O14 | C15 | C19 | C20 | 179.0° | 177.6° |
O14 | C15 | C19 | O23 | 59.6° | 62.5° |
C15 | O14 | C13 | H12 | 1.7° | 21.6° |
O14 | C15 | C19 | H18 | 59.4° | 57.7° |
C17 | C21 | C20 | H20 | 120.5° | 119.9° |
C17 | C21 | C20 | H21 | 120.5° | 119.9° |
C17 | C21 | C20 | C19 | 49.2° | 57.0° |
C17 | C21 | C20 | O22 | 167.6° | 176.9° |
C21 | C17 | C18 | H15 | 57.2° | 60.0° |
C21 | C17 | C18 | H16 | 62.7° | 179.9° |
C21 | C17 | C18 | H17 | 177.3° | 60.0° |
C17 | C21 | C20 | H19 | 72.1° | 62.9° |
C17 | C21 | H20 | H21 | 118.4° | 120.1° |
C15 | C19 | C20 | C21 | 55.5° | 57.0° |
C15 | C19 | C20 | O23 | 121.0° | 119.9° |
C15 | C19 | C20 | H18 | 119.3° | 119.9° |
C15 | C19 | O23 | H18 | 118.4° | 120.1° |
C15 | C19 | C20 | O22 | 175.2° | 176.9° |
C15 | C19 | C20 | H19 | 65.6° | 62.9° |
C15 | C19 | O23 | H30 | 180.0° | 180.0° |
C21 | C20 | C19 | O22 | 119.6° | 119.9° |
C21 | C20 | C19 | H19 | 121.2° | 119.9° |
C21 | C20 | C19 | O23 | 176.5° | 176.9° |
C21 | C20 | O22 | H19 | 120.0° | 120.2° |
C20 | C21 | C17 | H14 | 72.5° | 62.3° |
C21 | C20 | C19 | H18 | 63.8° | 62.9° |
C20 | C21 | H20 | H21 | 118.3° | 120.2° |
C21 | C20 | O22 | H29 | 180.0° | 60.4° |
C20 | C19 | O23 | H18 | 119.3° | 120.1° |
C19 | C20 | O22 | H19 | 119.0° | 120.2° |
C20 | C19 | C15 | H13 | 59.4° | 62.4° |
C19 | C20 | C21 | H20 | 71.3° | 63.0° |
C19 | C20 | C21 | H21 | 169.8° | 176.8° |
C19 | C20 | O22 | H29 | 58.9° | 180.0° |
C20 | C19 | O23 | H30 | 57.7° | 60.3° |
O23 | C19 | C20 | O22 | 63.9° | 63.2° |
O23 | C19 | C15 | H13 | 62.1° | 57.6° |
O23 | C19 | C20 | H19 | 55.3° | 57.0° |
O22 | C20 | C19 | H18 | 55.8° | 57.0° |
O22 | C20 | C21 | H20 | 47.1° | 56.9° |
O22 | C20 | C21 | H21 | 71.8° | 63.3° |
H1 | C02 | C03 | H2 | 53.2° | 60.0° |
H1 | C02 | C08 | H7 | 52.8° | 60.0° |
H1 | C02 | O01 | H26 | 61.7° | 60.0° |
H2 | C03 | C04 | H3 | 175.5° | 180.0° |
H2 | C03 | N06 | H22 | 178.4° | 88.9° |
H3 | C04 | C13 | H12 | 176.4° | NaN° |
H3 | C04 | O05 | H27 | 61.0° | 60.0° |
H4 | C07 | H5 | H6 | 120.0° | 120.0° |
H4 | C07 | N06 | H22 | 60.0° | 56.0° |
H5 | C07 | N06 | H22 | 60.1° | 64.0° |
H6 | C07 | N06 | H22 | 180.0° | 176.1° |
H7 | C08 | C11 | H11 | 174.0° | 180.0° |
H7 | C08 | N09 | H24 | 147.6° | 158.9° |
H8 | C10 | H9 | H10 | 120.0° | 120.0° |
H8 | C10 | N09 | H24 | 59.9° | 56.1° |
H9 | C10 | N09 | H24 | 60.1° | 63.9° |
H10 | C10 | N09 | H24 | 179.9° | 176.1° |
H11 | C11 | C13 | H12 | 175.4° | 180.0° |
H11 | C11 | O12 | H28 | 60.1° | 54.0° |
H13 | C15 | C19 | H18 | 178.9° | 177.7° |
H14 | C17 | C18 | H15 | 61.4° | 180.0° |
H14 | C17 | C18 | H16 | 178.6° | 60.0° |
H14 | C17 | C18 | H17 | 58.6° | 60.0° |
H14 | C17 | C21 | H20 | 166.9° | 177.8° |
H14 | C17 | C21 | H21 | 48.0° | 57.6° |
H15 | C18 | H16 | H17 | 120.0° | 120.0° |
H18 | C19 | C20 | H19 | 175.0° | 177.2° |
H18 | C19 | O23 | H30 | 61.6° | 59.9° |
H19 | C20 | C21 | H20 | 167.4° | 177.2° |
H19 | C20 | C21 | H21 | 48.4° | 57.0° |
H19 | C20 | O22 | H29 | 60.0° | 59.8° |