8IZ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O15 | C14 | doub | 1.22Å | 1.23Å | |
C14 | N13 | sing | 1.35Å | 1.39Å | |
C14 | N16 | sing | 1.35Å | 1.58Å | |
N13 | C11 | sing | 1.35Å | 1.45Å | |
C17 | N16 | sing | 1.47Å | 1.57Å | |
N16 | C18 | sing | 1.37Å | 1.40Å | |
C11 | O12 | doub | 1.22Å | 1.23Å | |
C11 | C10 | sing | 1.42Å | 1.46Å | |
C18 | C10 | doub | 1.35Å | 1.40Å | |
C10 | C03 | sing | 1.51Å | 1.53Å | |
O01 | C02 | sing | 1.43Å | 1.40Å | |
C03 | C02 | sing | 1.55Å | 1.52Å | |
C03 | O04 | sing | 1.44Å | 1.41Å | |
C02 | C08 | sing | 1.55Å | 1.61Å | |
O04 | C05 | sing | 1.44Å | 1.42Å | |
C08 | O09 | sing | 1.43Å | 1.38Å | |
C08 | C05 | sing | 1.54Å | 1.60Å | |
C05 | C06 | sing | 1.53Å | 1.61Å | |
C06 | O07 | sing | 1.43Å | 1.41Å | |
C02 | H1 | sing | 1.09Å | 1.10Å | |
C03 | H2 | sing | 1.09Å | 1.10Å | |
C05 | H3 | sing | 1.09Å | 1.10Å | |
C06 | H4 | sing | 1.09Å | 1.10Å | |
C06 | H5 | sing | 1.09Å | 1.10Å | |
C08 | H6 | sing | 1.09Å | 1.10Å | |
C17 | H7 | sing | 1.09Å | 1.10Å | |
C17 | H8 | sing | 1.09Å | 1.10Å | |
C17 | H9 | sing | 1.09Å | 1.10Å | |
C18 | H10 | sing | 1.08Å | 1.08Å | |
N13 | H11 | sing | 0.97Å | 1.00Å | |
O01 | H12 | sing | 0.97Å | 0.95Å | |
O07 | H13 | sing | 0.97Å | 0.95Å | |
O09 | H14 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O15 | C14 | N13 | 118.5° | 119.6° |
O15 | C14 | N16 | 120.0° | 119.5° |
N13 | C14 | N16 | 121.5° | 120.9° |
C14 | N13 | C11 | 113.6° | 120.3° |
C14 | N13 | H11 | 123.2° | 119.8° |
C14 | N16 | C17 | 121.0° | 119.7° |
C14 | N16 | C18 | 120.8° | 120.6° |
N13 | C11 | O12 | 112.2° | 120.3° |
N13 | C11 | C10 | 125.3° | 119.4° |
C11 | N13 | H11 | 123.2° | 119.9° |
C17 | N16 | C18 | 118.2° | 119.7° |
N16 | C17 | H7 | 109.5° | 109.4° |
N16 | C17 | H8 | 109.5° | 109.5° |
N16 | C17 | H9 | 109.5° | 109.5° |
N16 | C18 | C10 | 117.2° | 119.7° |
N16 | C18 | H10 | 121.4° | 120.2° |
O12 | C11 | C10 | 122.3° | 120.3° |
C11 | C10 | C18 | 121.4° | 119.1° |
C11 | C10 | C03 | 124.6° | 120.4° |
C18 | C10 | C03 | 113.4° | 120.5° |
C10 | C18 | H10 | 121.4° | 120.1° |
C10 | C03 | C02 | 118.9° | 110.6° |
C10 | C03 | O04 | 110.0° | 110.6° |
C10 | C03 | H2 | 106.0° | 110.5° |
O01 | C02 | C03 | 110.4° | 110.9° |
O01 | C02 | C08 | 117.0° | 110.9° |
O01 | C02 | H1 | 112.2° | 110.7° |
C02 | O01 | H12 | 109.5° | 114.0° |
C02 | C03 | O04 | 107.7° | 103.5° |
C03 | C02 | C08 | 96.7° | 102.1° |
C03 | C02 | H1 | 110.4° | 111.0° |
C02 | C03 | H2 | 106.2° | 110.6° |
C03 | O04 | C05 | 109.8° | 106.9° |
O04 | C03 | H2 | 107.5° | 110.7° |
C02 | C08 | O09 | 107.9° | 110.5° |
C02 | C08 | C05 | 108.8° | 104.2° |
C08 | C02 | H1 | 109.1° | 110.9° |
C02 | C08 | H6 | 110.0° | 110.5° |
O04 | C05 | C08 | 97.4° | 107.3° |
O04 | C05 | C06 | 112.3° | 109.9° |
O04 | C05 | H3 | 111.9° | 110.0° |
O09 | C08 | C05 | 106.3° | 110.5° |
O09 | C08 | H6 | 113.5° | 110.4° |
C08 | O09 | H14 | 109.5° | 114.0° |
C08 | C05 | C06 | 116.2° | 109.9° |
C08 | C05 | H3 | 109.4° | 109.9° |
C05 | C08 | H6 | 110.2° | 110.6° |
C05 | C06 | O07 | 108.6° | 109.5° |
C06 | C05 | H3 | 109.2° | 109.8° |
C05 | C06 | H4 | 109.7° | 109.5° |
C05 | C06 | H5 | 109.7° | 109.5° |
O07 | C06 | H4 | 109.7° | 109.5° |
O07 | C06 | H5 | 109.7° | 109.5° |
C06 | O07 | H13 | 109.5° | 114.0° |
H4 | C06 | H5 | 109.5° | 109.4° |
H7 | C17 | H8 | 109.5° | 109.5° |
H7 | C17 | H9 | 109.5° | 109.5° |
H8 | C17 | H9 | 109.4° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O15 | C14 | N13 | N16 | 180.0° | 179.7° |
O15 | C14 | N13 | C11 | 179.4° | 180.0° |
O15 | C14 | N16 | C17 | 0.6° | 0.2° |
O15 | C14 | N16 | C18 | 179.5° | 180.0° |
O15 | C14 | N13 | H11 | 0.6° | 0.3° |
C14 | N13 | C11 | H11 | 180.0° | 179.7° |
N13 | C14 | N16 | C17 | 179.4° | 179.9° |
N13 | C14 | N16 | C18 | 0.5° | 0.3° |
C14 | N13 | C11 | O12 | 179.1° | 180.0° |
C14 | N13 | C11 | C10 | 2.9° | 0.1° |
N16 | C14 | N13 | C11 | 0.6° | 0.3° |
C14 | N16 | C17 | C18 | 179.9° | 179.8° |
C14 | N16 | C18 | C10 | 2.6° | 0.0° |
C14 | N16 | C17 | H7 | 180.0° | 0.0° |
C14 | N16 | C17 | H8 | 60.0° | 120.0° |
C14 | N16 | C17 | H9 | 60.0° | 120.0° |
C14 | N16 | C18 | H10 | 177.5° | 179.9° |
N16 | C14 | N13 | H11 | 179.4° | 180.0° |
N13 | C11 | O12 | C10 | 176.3° | 179.9° |
N13 | C11 | C10 | C18 | 5.3° | 0.1° |
N13 | C11 | C10 | C03 | 175.8° | 180.0° |
C17 | N16 | C18 | C10 | 177.3° | 179.8° |
N16 | C17 | H7 | H8 | 120.0° | 120.0° |
N16 | C17 | H7 | H9 | 120.0° | 120.0° |
N16 | C17 | H8 | H9 | 120.0° | 120.0° |
C17 | N16 | C18 | H10 | 2.7° | 0.3° |
N16 | C18 | C10 | C11 | 4.8° | 0.2° |
N16 | C18 | C10 | H10 | 180.0° | 179.9° |
N16 | C18 | C10 | C03 | 176.3° | 180.0° |
C18 | N16 | C17 | H7 | 0.1° | 179.8° |
C18 | N16 | C17 | H8 | 119.9° | 60.2° |
C18 | N16 | C17 | H9 | 120.1° | 59.8° |
O12 | C11 | C10 | C18 | 178.9° | 179.7° |
O12 | C11 | C10 | C03 | 8.5° | 0.1° |
O12 | C11 | N13 | H11 | 0.9° | 0.3° |
C11 | C10 | C18 | C03 | 171.5° | 179.8° |
C11 | C10 | C03 | C02 | 141.7° | 65.1° |
C11 | C10 | C03 | O04 | 93.6° | 49.0° |
C11 | C10 | C03 | H2 | 22.3° | 172.0° |
C11 | C10 | C18 | H10 | 175.2° | 179.7° |
C10 | C11 | N13 | H11 | 177.1° | 179.8° |
C18 | C10 | C03 | C02 | 47.2° | 114.8° |
C18 | C10 | C03 | O04 | 77.5° | 131.2° |
C18 | C10 | C03 | H2 | 166.5° | 8.1° |
C10 | C03 | C02 | O01 | 83.3° | 86.2° |
C10 | C03 | C02 | O04 | 125.8° | 118.5° |
C10 | C03 | C02 | H2 | 119.2° | 122.8° |
C10 | C03 | O04 | H2 | 115.0° | 122.9° |
C10 | C03 | C02 | C08 | 154.6° | 155.6° |
C10 | C03 | O04 | C05 | 179.4° | 158.6° |
C10 | C03 | C02 | H1 | 41.3° | 37.3° |
C03 | C10 | C18 | H10 | 3.8° | 0.1° |
O01 | C02 | C03 | C08 | 122.1° | 118.2° |
O01 | C02 | C03 | H1 | 124.6° | 123.6° |
O01 | C02 | C03 | O04 | 150.9° | 155.3° |
O01 | C02 | C08 | H1 | 128.7° | 123.5° |
O01 | C02 | C08 | O09 | 6.6° | 20.5° |
O01 | C02 | C08 | C05 | 121.5° | 139.1° |
O01 | C02 | C03 | H2 | 36.0° | 36.6° |
O01 | C02 | C08 | H6 | 117.7° | 102.1° |
C02 | C03 | O04 | H2 | 114.1° | 118.6° |
C03 | C02 | C08 | H1 | 114.3° | 118.3° |
C02 | C03 | O04 | C05 | 48.5° | 40.1° |
C03 | C02 | C08 | O09 | 110.5° | 97.8° |
C03 | C02 | C08 | C05 | 4.5° | 20.9° |
C03 | C02 | C08 | H6 | 125.3° | 139.7° |
C03 | C02 | O01 | H12 | 180.0° | 174.1° |
O04 | C03 | C02 | C08 | 28.8° | 37.0° |
C03 | O04 | C05 | C08 | 40.3° | 26.5° |
C03 | O04 | C05 | C06 | 162.7° | 146.0° |
O04 | C03 | C02 | H1 | 84.5° | 81.2° |
C03 | O04 | C05 | H3 | 74.1° | 93.0° |
C02 | C08 | C05 | O04 | 20.0° | 2.0° |
C02 | C08 | O09 | C05 | 116.6° | 114.8° |
C02 | C08 | O09 | H6 | 122.1° | 122.5° |
C02 | C08 | C05 | H6 | 120.6° | 118.7° |
C02 | C08 | C05 | C06 | 139.3° | 121.5° |
C08 | C02 | C03 | H2 | 86.2° | 81.6° |
C02 | C08 | C05 | H3 | 96.4° | 117.6° |
C08 | C02 | O01 | H12 | 70.7° | 61.4° |
C02 | C08 | O09 | H14 | 180.0° | 180.0° |
O04 | C05 | C08 | O09 | 136.0° | 120.7° |
O04 | C05 | C08 | C06 | 119.4° | 119.4° |
O04 | C05 | C08 | H3 | 116.4° | 119.6° |
O04 | C05 | C06 | H3 | 124.7° | 121.1° |
O04 | C05 | C06 | O07 | 68.8° | 66.8° |
C05 | O04 | C03 | H2 | 65.6° | 78.5° |
O04 | C05 | C06 | H4 | 171.3° | 173.1° |
O04 | C05 | C06 | H5 | 51.1° | 53.2° |
O04 | C05 | C08 | H6 | 100.7° | 116.7° |
O09 | C08 | C05 | H6 | 123.3° | 122.6° |
O09 | C08 | C05 | C06 | 104.7° | 119.8° |
O09 | C08 | C02 | H1 | 135.2° | 144.0° |
O09 | C08 | C05 | H3 | 19.6° | 1.1° |
C08 | C05 | C06 | H3 | 124.3° | 121.0° |
C08 | C05 | C06 | O07 | 179.7° | 175.3° |
C05 | C08 | C02 | H1 | 109.8° | 97.4° |
C08 | C05 | C06 | H4 | 60.4° | 55.3° |
C08 | C05 | C06 | H5 | 59.9° | 64.7° |
C05 | C08 | O09 | H14 | 63.3° | 65.2° |
C05 | C06 | O07 | H4 | 119.9° | 120.1° |
C05 | C06 | O07 | H5 | 119.9° | 120.0° |
C05 | C06 | H4 | H5 | 120.4° | 120.0° |
C06 | C05 | C08 | H6 | 18.7° | 2.7° |
C05 | C06 | O07 | H13 | 180.0° | 179.9° |
O07 | C06 | C05 | H3 | 56.0° | 54.3° |
O07 | C06 | H4 | H5 | 120.4° | 120.0° |
H1 | C02 | C03 | H2 | 160.6° | 160.2° |
H1 | C02 | C08 | H6 | 11.0° | 21.4° |
H1 | C02 | O01 | H12 | 56.4° | 62.2° |
H3 | C05 | C06 | H4 | 63.9° | 65.8° |
H3 | C05 | C06 | H5 | 175.8° | 174.3° |
H3 | C05 | C08 | H6 | 142.9° | 123.7° |
H4 | C06 | O07 | H13 | 60.1° | 60.0° |
H5 | C06 | O07 | H13 | 60.1° | 59.9° |
H6 | C08 | O09 | H14 | 57.9° | 57.5° |
H7 | C17 | H8 | H9 | 120.0° | 120.0° |