M6K
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O24 | C23 | doub | 1.21Å | 1.26Å | |
C23 | O25 | sing | 1.34Å | 1.27Å | |
C23 | C22 | sing | 1.51Å | 1.48Å | |
C18 | C17 | sing | 1.53Å | 1.53Å | |
C18 | N19 | sing | 1.47Å | 1.40Å | |
C22 | N19 | sing | 1.47Å | 1.48Å | |
C17 | N16 | sing | 1.47Å | 1.38Å | |
N19 | C20 | sing | 1.47Å | 1.37Å | |
O12 | C13 | sing | 1.45Å | 1.45Å | |
O12 | N11 | sing | 1.41Å | 1.40Å | |
C13 | C14 | sing | 1.55Å | 1.46Å | |
C13 | C15 | sing | 1.53Å | 1.52Å | |
N11 | C10 | doub | 1.29Å | 1.40Å | |
N16 | C15 | sing | 1.47Å | 1.30Å | |
N16 | C21 | sing | 1.47Å | 1.38Å | |
C20 | C21 | sing | 1.53Å | 1.54Å | |
C10 | C14 | sing | 1.52Å | 1.46Å | |
C10 | C07 | sing | 1.48Å | 1.47Å | |
C06 | C07 | doub | 1.40Å | 1.42Å | Aromatic |
C06 | C05 | sing | 1.38Å | 1.45Å | Aromatic |
C07 | C08 | sing | 1.40Å | 1.39Å | Aromatic |
C05 | C04 | doub | 1.40Å | 1.35Å | Aromatic |
N01 | C02 | doub | 1.30Å | 1.47Å | |
C08 | C09 | doub | 1.38Å | 1.41Å | Aromatic |
C04 | C09 | sing | 1.40Å | 1.45Å | Aromatic |
C04 | C02 | sing | 1.48Å | 1.48Å | |
C02 | N03 | sing | 1.38Å | 1.30Å | |
C13 | H2 | sing | 1.09Å | 1.10Å | |
C05 | H3 | sing | 1.08Å | 1.08Å | |
C06 | H4 | sing | 1.08Å | 1.08Å | |
C08 | H5 | sing | 1.08Å | 1.08Å | |
C09 | H6 | sing | 1.08Å | 1.08Å | |
C14 | H7 | sing | 1.09Å | 1.10Å | |
C14 | H8 | sing | 1.09Å | 1.10Å | |
C15 | H9 | sing | 1.09Å | 1.10Å | |
C15 | H10 | sing | 1.09Å | 1.10Å | |
C17 | H11 | sing | 1.09Å | 1.10Å | |
C17 | H12 | sing | 1.09Å | 1.10Å | |
C18 | H13 | sing | 1.09Å | 1.10Å | |
C18 | H14 | sing | 1.09Å | 1.10Å | |
C20 | H15 | sing | 1.09Å | 1.10Å | |
C20 | H16 | sing | 1.09Å | 1.10Å | |
C21 | H17 | sing | 1.09Å | 1.10Å | |
C21 | H18 | sing | 1.09Å | 1.10Å | |
C22 | H19 | sing | 1.09Å | 1.10Å | |
C22 | H20 | sing | 1.09Å | 1.10Å | |
N01 | H21 | sing | 0.97Å | 1.00Å | |
N03 | H22 | sing | 0.97Å | 1.00Å | |
N03 | H23 | sing | 0.97Å | 1.00Å | |
O25 | H27 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O24 | C23 | O25 | 119.5° | 120.0° |
O24 | C23 | C22 | 119.3° | 120.0° |
O25 | C23 | C22 | 121.2° | 120.0° |
C23 | O25 | H27 | 109.5° | 117.0° |
C23 | C22 | N19 | 113.7° | 109.5° |
C23 | C22 | H19 | 108.4° | 109.5° |
C23 | C22 | H20 | 108.4° | 109.5° |
C17 | C18 | N19 | 112.1° | 109.4° |
C18 | C17 | N16 | 112.7° | 109.4° |
C18 | C17 | H11 | 108.7° | 109.5° |
C18 | C17 | H12 | 108.7° | 109.5° |
C17 | C18 | H13 | 108.8° | 109.5° |
C17 | C18 | H14 | 108.8° | 109.5° |
C18 | N19 | C22 | 109.9° | 111.0° |
C18 | N19 | C20 | 112.0° | 110.9° |
N19 | C18 | H13 | 108.8° | 109.5° |
N19 | C18 | H14 | 108.8° | 109.5° |
C22 | N19 | C20 | 107.2° | 111.0° |
N19 | C22 | H19 | 108.4° | 109.4° |
N19 | C22 | H20 | 108.4° | 109.5° |
C17 | N16 | C15 | 111.4° | 111.0° |
C17 | N16 | C21 | 111.6° | 110.9° |
N16 | C17 | H11 | 108.7° | 109.5° |
N16 | C17 | H12 | 108.7° | 109.5° |
N19 | C20 | C21 | 113.5° | 109.4° |
N19 | C20 | H15 | 108.5° | 109.5° |
N19 | C20 | H16 | 108.5° | 109.5° |
C13 | O12 | N11 | 108.0° | 107.5° |
O12 | C13 | C14 | 106.4° | 101.6° |
O12 | C13 | C15 | 109.2° | 110.7° |
O12 | C13 | H2 | 110.4° | 111.4° |
O12 | N11 | C10 | 109.6° | 112.9° |
C14 | C13 | C15 | 111.2° | 111.0° |
C13 | C14 | C10 | 105.1° | 102.5° |
C14 | C13 | H2 | 110.2° | 111.0° |
C13 | C14 | H7 | 110.6° | 110.7° |
C13 | C14 | H8 | 110.5° | 110.8° |
C13 | C15 | N16 | 112.2° | 109.4° |
C15 | C13 | H2 | 109.4° | 110.8° |
C13 | C15 | H9 | 108.8° | 109.5° |
C13 | C15 | H10 | 108.8° | 109.4° |
N11 | C10 | C14 | 108.4° | 108.3° |
N11 | C10 | C07 | 124.1° | 125.9° |
C15 | N16 | C21 | 108.0° | 111.0° |
N16 | C15 | H9 | 108.8° | 109.5° |
N16 | C15 | H10 | 108.8° | 109.4° |
N16 | C21 | C20 | 113.2° | 109.4° |
N16 | C21 | H17 | 108.5° | 109.5° |
N16 | C21 | H18 | 108.5° | 109.5° |
C21 | C20 | H15 | 108.5° | 109.5° |
C21 | C20 | H16 | 108.4° | 109.5° |
C20 | C21 | H17 | 108.5° | 109.5° |
C20 | C21 | H18 | 108.5° | 109.5° |
C14 | C10 | C07 | 127.5° | 125.8° |
C10 | C14 | H7 | 110.5° | 110.8° |
C10 | C14 | H8 | 110.5° | 110.8° |
C10 | C07 | C06 | 118.4° | 120.0° |
C10 | C07 | C08 | 121.6° | 120.0° |
C07 | C06 | C05 | 120.0° | 120.0° |
C06 | C07 | C08 | 120.0° | 120.0° |
C07 | C06 | H4 | 120.0° | 120.0° |
C06 | C05 | C04 | 120.2° | 120.0° |
C06 | C05 | H3 | 119.9° | 120.0° |
C05 | C06 | H4 | 120.0° | 120.0° |
C07 | C08 | C09 | 119.7° | 120.0° |
C07 | C08 | H5 | 120.2° | 120.0° |
C05 | C04 | C09 | 119.8° | 120.0° |
C05 | C04 | C02 | 119.6° | 120.0° |
C04 | C05 | H3 | 119.9° | 120.0° |
N01 | C02 | C04 | 119.9° | 120.0° |
N01 | C02 | N03 | 120.0° | 120.0° |
C02 | N01 | H21 | 112.0° | 120.0° |
C08 | C09 | C04 | 120.2° | 120.0° |
C09 | C08 | H5 | 120.1° | 120.0° |
C08 | C09 | H6 | 119.9° | 120.0° |
C09 | C04 | C02 | 120.6° | 120.0° |
C04 | C09 | H6 | 119.9° | 120.0° |
C04 | C02 | N03 | 120.1° | 120.0° |
C02 | N03 | H22 | 120.0° | 120.1° |
C02 | N03 | H23 | 120.0° | 120.0° |
H7 | C14 | H8 | 109.5° | 110.8° |
H9 | C15 | H10 | 109.5° | 109.5° |
H11 | C17 | H12 | 109.4° | 109.5° |
H13 | C18 | H14 | 109.5° | 109.5° |
H15 | C20 | H16 | 109.5° | 109.5° |
H17 | C21 | H18 | 109.5° | 109.5° |
H19 | C22 | H20 | 109.5° | 109.4° |
H22 | N03 | H23 | 120.0° | 119.9° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O24 | C23 | O25 | C22 | 179.6° | 180.0° |
O24 | C23 | C22 | N19 | 161.8° | 0.0° |
O24 | C23 | C22 | H19 | 77.6° | 120.0° |
O24 | C23 | C22 | H20 | 41.2° | 120.0° |
O24 | C23 | O25 | H27 | 0.0° | 0.0° |
O25 | C23 | C22 | N19 | 18.6° | 180.0° |
O25 | C23 | C22 | H19 | 102.1° | 60.0° |
O25 | C23 | C22 | H20 | 139.2° | 60.0° |
C23 | C22 | N19 | C18 | 72.1° | 170.0° |
C23 | C22 | N19 | H19 | 120.6° | 120.0° |
C23 | C22 | N19 | H20 | 120.6° | 120.0° |
C23 | C22 | N19 | C20 | 166.0° | 66.2° |
C23 | C22 | H19 | H20 | 118.1° | 120.0° |
C22 | C23 | O25 | H27 | 179.6° | 180.0° |
C17 | C18 | N19 | H13 | 120.4° | 120.0° |
C17 | C18 | N19 | H14 | 120.4° | 119.9° |
C17 | C18 | N19 | C22 | 171.2° | 176.8° |
C18 | C17 | N16 | H11 | 120.5° | 120.0° |
C18 | C17 | N16 | H12 | 120.5° | 120.0° |
C17 | C18 | N19 | C20 | 52.2° | 59.3° |
C18 | C17 | N16 | C15 | 173.7° | 176.9° |
C18 | C17 | N16 | C21 | 53.0° | 59.3° |
C18 | C17 | H11 | H12 | 118.5° | 120.1° |
C17 | C18 | H13 | H14 | 118.8° | 120.0° |
C18 | N19 | C22 | C20 | 121.9° | 123.8° |
N19 | C18 | C17 | N16 | 54.1° | 58.4° |
C18 | N19 | C20 | C21 | 50.1° | 59.3° |
N19 | C18 | C17 | H11 | 174.6° | 178.3° |
N19 | C18 | C17 | H12 | 66.4° | 61.6° |
N19 | C18 | H13 | H14 | 118.8° | 120.1° |
C18 | N19 | C20 | H15 | 170.7° | 60.7° |
C18 | N19 | C20 | H16 | 70.4° | 179.3° |
C18 | N19 | C22 | H19 | 167.3° | 70.0° |
C18 | N19 | C22 | H20 | 48.5° | 50.0° |
C22 | N19 | C20 | C21 | 170.7° | 176.8° |
C22 | N19 | C18 | H13 | 68.4° | 56.8° |
C22 | N19 | C18 | H14 | 50.8° | 63.3° |
C22 | N19 | C20 | H15 | 68.7° | 63.2° |
C22 | N19 | C20 | H16 | 50.2° | 56.8° |
N19 | C22 | H19 | H20 | 118.1° | 120.0° |
C17 | N16 | C15 | C13 | 65.3° | 170.0° |
C17 | N16 | C15 | C21 | 122.9° | 123.8° |
C17 | N16 | C21 | C20 | 50.5° | 59.3° |
C17 | N16 | C15 | H9 | 174.2° | 70.0° |
C17 | N16 | C15 | H10 | 55.1° | 50.1° |
N16 | C17 | H11 | H12 | 118.5° | 120.0° |
N16 | C17 | C18 | H13 | 174.5° | 178.4° |
N16 | C17 | C18 | H14 | 66.3° | 61.6° |
C17 | N16 | C21 | H17 | 171.0° | 60.7° |
C17 | N16 | C21 | H18 | 70.1° | 179.3° |
N19 | C20 | C21 | N16 | 49.9° | 58.4° |
N19 | C20 | C21 | H15 | 120.6° | 120.0° |
N19 | C20 | C21 | H16 | 120.6° | 120.0° |
C20 | N19 | C18 | H13 | 172.6° | 179.3° |
C20 | N19 | C18 | H14 | 68.2° | 60.6° |
N19 | C20 | H15 | H16 | 118.2° | 120.0° |
N19 | C20 | C21 | H17 | 170.4° | 61.6° |
N19 | C20 | C21 | H18 | 70.7° | 178.4° |
C20 | N19 | C22 | H19 | 45.4° | 53.8° |
C20 | N19 | C22 | H20 | 73.4° | 173.8° |
O12 | C13 | C14 | C15 | 118.8° | 117.8° |
O12 | C13 | C14 | H2 | 119.7° | 118.5° |
O12 | C13 | C15 | H2 | 121.0° | 124.2° |
C13 | O12 | N11 | C10 | 10.1° | 17.8° |
O12 | C13 | C15 | N16 | 105.3° | 72.9° |
O12 | C13 | C14 | C10 | 15.3° | 24.6° |
O12 | C13 | C14 | H7 | 104.0° | 142.9° |
O12 | C13 | C14 | H8 | 134.7° | 93.7° |
O12 | C13 | C15 | H9 | 134.3° | 167.0° |
O12 | C13 | C15 | H10 | 15.1° | 47.0° |
N11 | O12 | C13 | C14 | 15.9° | 25.8° |
N11 | O12 | C13 | C15 | 136.0° | 143.7° |
O12 | N11 | C10 | C14 | 0.1° | 0.3° |
O12 | N11 | C10 | C07 | 180.0° | 179.4° |
N11 | O12 | C13 | H2 | 103.7° | 92.5° |
C14 | C13 | C15 | H2 | 122.0° | 123.8° |
C13 | C14 | C10 | N11 | 9.6° | 15.7° |
C14 | C13 | C15 | N16 | 137.6° | 175.1° |
C13 | C14 | C10 | H7 | 119.3° | 118.2° |
C13 | C14 | C10 | H8 | 119.3° | 118.3° |
C13 | C14 | C10 | C07 | 170.3° | 164.6° |
C13 | C14 | H7 | H8 | 122.0° | 123.4° |
C14 | C13 | C15 | H9 | 17.2° | 55.0° |
C14 | C13 | C15 | H10 | 102.0° | 65.0° |
C13 | C15 | N16 | H9 | 120.4° | 120.0° |
C13 | C15 | N16 | H10 | 120.4° | 119.9° |
C13 | C15 | N16 | C21 | 171.8° | 66.3° |
C15 | C13 | C14 | C10 | 134.1° | 142.4° |
C15 | C13 | C14 | H7 | 14.8° | 99.4° |
C15 | C13 | C14 | H8 | 106.6° | 24.1° |
C13 | C15 | H9 | H10 | 118.7° | 120.0° |
N11 | C10 | C14 | C07 | 179.9° | 179.8° |
N11 | C10 | C07 | C06 | 1.2° | 0.3° |
N11 | C10 | C07 | C08 | 178.9° | 179.7° |
N11 | C10 | C14 | H7 | 109.7° | 133.9° |
N11 | C10 | C14 | H8 | 128.9° | 102.6° |
C15 | N16 | C21 | C20 | 173.2° | 176.8° |
N16 | C15 | C13 | H2 | 15.6° | 51.3° |
N16 | C15 | H9 | H10 | 118.7° | 120.0° |
C15 | N16 | C17 | H11 | 65.8° | 56.9° |
C15 | N16 | C17 | H12 | 53.2° | 63.1° |
C15 | N16 | C21 | H17 | 66.3° | 63.2° |
C15 | N16 | C21 | H18 | 52.6° | 56.9° |
N16 | C21 | C20 | H17 | 120.5° | 120.0° |
N16 | C21 | C20 | H18 | 120.6° | 120.0° |
C21 | N16 | C15 | H9 | 51.4° | 53.8° |
C21 | N16 | C15 | H10 | 67.8° | 173.8° |
C21 | N16 | C17 | H11 | 173.5° | 179.3° |
C21 | N16 | C17 | H12 | 67.5° | 60.7° |
N16 | C21 | C20 | H15 | 170.5° | 61.6° |
N16 | C21 | C20 | H16 | 70.7° | 178.4° |
N16 | C21 | H17 | H18 | 118.3° | 120.0° |
C21 | C20 | H15 | H16 | 118.2° | 120.1° |
C20 | C21 | H17 | H18 | 118.3° | 120.0° |
C14 | C10 | C07 | C06 | 178.9° | 180.0° |
C14 | C10 | C07 | C08 | 1.0° | 0.0° |
C10 | C14 | C13 | H2 | 104.4° | 93.9° |
C10 | C14 | H7 | H8 | 122.0° | 123.5° |
C10 | C07 | C06 | C08 | 179.9° | 180.0° |
C10 | C07 | C06 | C05 | 179.9° | 180.0° |
C10 | C07 | C08 | C09 | 180.0° | 180.0° |
C10 | C07 | C06 | H4 | 0.1° | 0.0° |
C10 | C07 | C08 | H5 | 0.0° | 0.0° |
C07 | C10 | C14 | H7 | 70.4° | 46.4° |
C07 | C10 | C14 | H8 | 51.0° | 77.1° |
C07 | C06 | C05 | H4 | 180.0° | 180.0° |
C07 | C06 | C05 | C04 | 0.1° | 0.1° |
C06 | C07 | C08 | C09 | 0.1° | 0.0° |
C07 | C06 | C05 | H3 | 179.9° | 180.0° |
C06 | C07 | C08 | H5 | 179.9° | 180.0° |
C05 | C06 | C07 | C08 | 0.0° | 0.0° |
C06 | C05 | C04 | H3 | 180.0° | 180.0° |
C06 | C05 | C04 | C09 | 0.1° | 0.1° |
C06 | C05 | C04 | C02 | 179.9° | 179.7° |
C07 | C08 | C09 | H5 | 180.0° | 180.0° |
C07 | C08 | C09 | C04 | 0.1° | 0.0° |
C08 | C07 | C06 | H4 | 180.0° | 180.0° |
C07 | C08 | C09 | H6 | 180.0° | 179.7° |
C05 | C04 | C02 | N01 | 104.7° | 179.7° |
C05 | C04 | C09 | C08 | 0.0° | 0.0° |
C05 | C04 | C09 | C02 | 180.0° | 179.7° |
C05 | C04 | C02 | N03 | 75.0° | 0.3° |
C04 | C05 | C06 | H4 | 179.9° | 179.9° |
C05 | C04 | C09 | H6 | 180.0° | 179.7° |
N01 | C02 | C04 | C09 | 75.2° | 0.0° |
N01 | C02 | C04 | N03 | 179.7° | 180.0° |
N01 | C02 | N03 | H22 | 179.7° | 180.0° |
N01 | C02 | N03 | H23 | 0.3° | 0.0° |
C08 | C09 | C04 | H6 | 180.0° | 179.7° |
C08 | C09 | C04 | C02 | 179.9° | 179.7° |
C09 | C04 | C02 | N03 | 105.1° | 180.0° |
C09 | C04 | C05 | H3 | 179.9° | 180.0° |
C04 | C09 | C08 | H5 | 179.9° | 180.0° |
C02 | C04 | C05 | H3 | 0.2° | 0.3° |
C02 | C04 | C09 | H6 | 0.1° | 0.0° |
C04 | C02 | N01 | H21 | 179.7° | 180.0° |
C04 | C02 | N03 | H22 | 0.0° | 0.0° |
C04 | C02 | N03 | H23 | 180.0° | 180.0° |
N03 | C02 | N01 | H21 | 0.0° | 0.0° |
C02 | N03 | H22 | H23 | 180.0° | 180.0° |
H2 | C13 | C14 | H7 | 136.3° | 24.3° |
H2 | C13 | C14 | H8 | 14.9° | 147.8° |
H2 | C13 | C15 | H9 | 104.8° | 68.8° |
H2 | C13 | C15 | H10 | 136.0° | 171.2° |
H3 | C05 | C06 | H4 | 0.1° | 0.0° |
H5 | C08 | C09 | H6 | 0.0° | 0.3° |
H11 | C17 | C18 | H13 | 65.0° | 61.6° |
H11 | C17 | C18 | H14 | 54.2° | 58.4° |
H12 | C17 | C18 | H13 | 54.0° | 58.4° |
H12 | C17 | C18 | H14 | 173.2° | 178.5° |
H15 | C20 | C21 | H17 | 69.0° | 178.4° |
H15 | C20 | C21 | H18 | 49.9° | 58.4° |
H16 | C20 | C21 | H17 | 49.8° | 58.4° |
H16 | C20 | C21 | H18 | 168.7° | 61.6° |