6QZ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C2 | C1 | sing | 0.00Å | 1.51Å | |
C2 | C3 | sing | 0.00Å | 1.53Å | |
O | C1 | doub | 0.00Å | 1.22Å | |
C1 | N | sing | 0.00Å | 1.34Å | |
C3 | C7 | sing | 0.00Å | 1.53Å | |
C3 | C4 | sing | 0.00Å | 1.54Å | |
N | C4 | sing | 0.00Å | 1.49Å | |
N | C | sing | 0.00Å | 1.46Å | |
C7 | N1 | sing | 0.00Å | 1.47Å | |
C4 | C5 | sing | 0.00Å | 1.53Å | |
N1 | C8 | sing | 0.00Å | 1.48Å | |
N1 | C6 | sing | 0.00Å | 1.48Å | |
O1 | C22 | sing | 0.00Å | 1.43Å | |
O1 | C23 | sing | 0.00Å | 1.43Å | |
C22 | C21 | sing | 0.00Å | 1.51Å | |
C8 | C13 | sing | 0.00Å | 1.53Å | |
C8 | C9 | sing | 0.00Å | 1.54Å | |
C23 | C24 | sing | 0.00Å | 1.51Å | |
C5 | C6 | sing | 0.00Å | 1.53Å | |
C13 | C12 | sing | 0.00Å | 1.53Å | |
C12 | C11 | sing | 0.00Å | 1.52Å | |
C21 | C20 | sing | 0.00Å | 1.54Å | |
C9 | C10 | sing | 0.00Å | 1.54Å | |
C24 | C20 | sing | 0.00Å | 1.54Å | |
C10 | C11 | sing | 0.00Å | 1.53Å | |
C20 | C18 | sing | 0.00Å | 1.51Å | |
C11 | N2 | sing | 0.00Å | 1.47Å | |
N2 | C14 | sing | 0.00Å | 1.35Å | |
C18 | C17 | sing | 0.00Å | 1.46Å | Aromatic |
C18 | C19 | doub | 0.00Å | 1.37Å | Aromatic |
C14 | C17 | doub | 0.00Å | 1.46Å | Aromatic |
C14 | N3 | sing | 0.00Å | 1.36Å | Aromatic |
C17 | C16 | sing | 0.00Å | 1.41Å | Aromatic |
C19 | N5 | sing | 0.00Å | 1.37Å | Aromatic |
N3 | C15 | doub | 0.00Å | 1.34Å | Aromatic |
C16 | N5 | sing | 0.00Å | 1.36Å | Aromatic |
C16 | N4 | doub | 0.00Å | 1.34Å | Aromatic |
C15 | N4 | sing | 0.00Å | 1.34Å | Aromatic |
C2 | H1 | sing | 0.00Å | 1.10Å | |
C2 | H2 | sing | 0.00Å | 1.10Å | |
C3 | H3 | sing | 0.00Å | 1.10Å | |
C7 | H4 | sing | 0.00Å | 1.10Å | |
C7 | H5 | sing | 0.00Å | 1.10Å | |
C8 | H6 | sing | 0.00Å | 1.10Å | |
C9 | H7 | sing | 0.00Å | 1.10Å | |
C9 | H8 | sing | 0.00Å | 1.10Å | |
C10 | H9 | sing | 0.00Å | 1.10Å | |
C10 | H10 | sing | 0.00Å | 1.10Å | |
C11 | H11 | sing | 0.00Å | 1.10Å | |
C12 | H12 | sing | 0.00Å | 1.10Å | |
C12 | H13 | sing | 0.00Å | 1.10Å | |
C13 | H14 | sing | 0.00Å | 1.10Å | |
C13 | H15 | sing | 0.00Å | 1.10Å | |
C15 | H16 | sing | 0.00Å | 1.08Å | |
C19 | H17 | sing | 0.00Å | 1.08Å | |
C20 | H18 | sing | 0.00Å | 1.10Å | |
C21 | H19 | sing | 0.00Å | 1.10Å | |
C21 | H20 | sing | 0.00Å | 1.10Å | |
C22 | H21 | sing | 0.00Å | 1.10Å | |
C22 | H22 | sing | 0.00Å | 1.10Å | |
C24 | H23 | sing | 0.00Å | 1.10Å | |
C24 | H24 | sing | 0.00Å | 1.10Å | |
C6 | H26 | sing | 0.00Å | 1.10Å | |
C6 | H27 | sing | 0.00Å | 1.10Å | |
C5 | H28 | sing | 0.00Å | 1.10Å | |
C5 | H29 | sing | 0.00Å | 1.10Å | |
C4 | H30 | sing | 0.00Å | 1.10Å | |
C | H31 | sing | 0.00Å | 1.10Å | |
C | H32 | sing | 0.00Å | 1.10Å | |
C | H33 | sing | 0.00Å | 1.10Å | |
N2 | H34 | sing | 0.00Å | 1.00Å | |
N5 | H35 | sing | 0.00Å | 1.00Å | |
C23 | H36 | sing | 0.00Å | 1.10Å | |
C23 | H37 | sing | 0.00Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C1 | C2 | C3 | 105.7° | 90.0° |
C2 | C1 | O | 126.4° | 90.0° |
C2 | C1 | N | 108.3° | 90.0° |
C1 | C2 | H1 | 110.4° | 90.0° |
C1 | C2 | H2 | 110.4° | 90.0° |
C2 | C3 | C7 | 118.6° | 90.0° |
C2 | C3 | C4 | 105.6° | 90.0° |
C3 | C2 | H1 | 110.4° | 90.0° |
C3 | C2 | H2 | 110.4° | 90.0° |
C2 | C3 | H3 | 106.7° | 90.0° |
O | C1 | N | 125.3° | 90.0° |
C1 | N | C4 | 115.0° | 90.0° |
C1 | N | C | 123.0° | 90.0° |
C7 | C3 | C4 | 111.9° | 90.0° |
C3 | C7 | N1 | 112.3° | 90.0° |
C7 | C3 | H3 | 106.7° | 90.0° |
C3 | C7 | H4 | 108.8° | 90.0° |
C3 | C7 | H5 | 108.8° | 90.0° |
C3 | C4 | N | 102.7° | 90.0° |
C3 | C4 | C5 | 113.7° | 90.0° |
C4 | C3 | H3 | 106.6° | 90.0° |
C3 | C4 | H30 | 108.5° | 90.0° |
C4 | N | C | 122.0° | 90.0° |
N | C4 | C5 | 114.0° | 90.0° |
N | C4 | H30 | 109.1° | 90.0° |
N | C | H31 | 109.5° | 90.0° |
N | C | H32 | 109.5° | 90.0° |
N | C | H33 | 109.5° | 90.0° |
C7 | N1 | C8 | 114.2° | 90.0° |
C7 | N1 | C6 | 109.4° | 90.0° |
N1 | C7 | H4 | 108.8° | 90.0° |
N1 | C7 | H5 | 108.8° | 90.0° |
C4 | C5 | C6 | 118.5° | 90.0° |
C4 | C5 | H28 | 107.2° | 90.0° |
C4 | C5 | H29 | 107.2° | 90.0° |
C5 | C4 | H30 | 108.6° | 90.0° |
C8 | N1 | C6 | 115.7° | 90.0° |
N1 | C8 | C13 | 108.2° | 90.0° |
N1 | C8 | C9 | 119.1° | 90.0° |
N1 | C8 | H6 | 105.3° | 90.0° |
N1 | C6 | C5 | 113.0° | 90.0° |
N1 | C6 | H26 | 108.5° | 90.0° |
N1 | C6 | H27 | 108.6° | 90.0° |
C22 | O1 | C23 | 110.8° | 90.0° |
O1 | C22 | C21 | 110.9° | 90.0° |
O1 | C22 | H21 | 109.1° | 90.0° |
O1 | C22 | H22 | 109.1° | 90.0° |
O1 | C23 | C24 | 111.3° | 90.0° |
O1 | C23 | H36 | 109.0° | 90.0° |
O1 | C23 | H37 | 109.0° | 90.0° |
C22 | C21 | C20 | 110.1° | 90.0° |
C22 | C21 | H19 | 109.3° | 90.0° |
C22 | C21 | H20 | 109.3° | 90.0° |
C21 | C22 | H21 | 109.1° | 90.0° |
C21 | C22 | H22 | 109.1° | 90.0° |
C13 | C8 | C9 | 113.3° | 90.0° |
C8 | C13 | C12 | 112.0° | 90.0° |
C13 | C8 | H6 | 104.8° | 90.0° |
C8 | C13 | H14 | 108.8° | 90.0° |
C8 | C13 | H15 | 108.8° | 90.0° |
C8 | C9 | C10 | 112.3° | 90.0° |
C9 | C8 | H6 | 104.7° | 90.0° |
C8 | C9 | H7 | 108.8° | 90.0° |
C8 | C9 | H8 | 108.8° | 90.0° |
C23 | C24 | C20 | 110.3° | 90.0° |
C23 | C24 | H23 | 109.2° | 90.0° |
C23 | C24 | H24 | 109.3° | 90.0° |
C24 | C23 | H36 | 109.0° | 90.0° |
C24 | C23 | H37 | 109.0° | 90.0° |
C5 | C6 | H26 | 108.6° | 90.0° |
C5 | C6 | H27 | 108.6° | 90.0° |
C6 | C5 | H28 | 107.2° | 90.0° |
C6 | C5 | H29 | 107.2° | 90.0° |
C13 | C12 | C11 | 110.9° | 90.0° |
C13 | C12 | H12 | 109.1° | 90.0° |
C13 | C12 | H13 | 109.1° | 90.0° |
C12 | C13 | H14 | 108.8° | 90.0° |
C12 | C13 | H15 | 108.8° | 90.0° |
C12 | C11 | C10 | 110.3° | 90.0° |
C12 | C11 | N2 | 111.2° | 90.0° |
C12 | C11 | H11 | 107.5° | 90.0° |
C11 | C12 | H12 | 109.1° | 90.0° |
C11 | C12 | H13 | 109.1° | 90.0° |
C21 | C20 | C24 | 109.9° | 90.0° |
C21 | C20 | C18 | 112.6° | 90.0° |
C21 | C20 | H18 | 108.6° | 90.0° |
C20 | C21 | H19 | 109.3° | 90.0° |
C20 | C21 | H20 | 109.3° | 90.0° |
C9 | C10 | C11 | 112.0° | 90.0° |
C10 | C9 | H7 | 108.7° | 90.0° |
C10 | C9 | H8 | 108.7° | 90.0° |
C9 | C10 | H9 | 108.8° | 90.0° |
C9 | C10 | H10 | 108.8° | 90.0° |
C24 | C20 | C18 | 108.4° | 90.0° |
C24 | C20 | H18 | 108.5° | 90.0° |
C20 | C24 | H23 | 109.3° | 90.0° |
C20 | C24 | H24 | 109.3° | 90.0° |
C10 | C11 | N2 | 112.1° | 90.0° |
C11 | C10 | H9 | 108.8° | 90.0° |
C11 | C10 | H10 | 108.8° | 90.0° |
C10 | C11 | H11 | 107.4° | 90.0° |
C20 | C18 | C17 | 126.6° | 90.0° |
C20 | C18 | C19 | 126.8° | 90.0° |
C18 | C20 | H18 | 108.9° | 90.0° |
C11 | N2 | C14 | 123.4° | 90.0° |
N2 | C11 | H11 | 108.2° | 90.0° |
C11 | N2 | H34 | 105.9° | 90.0° |
N2 | C14 | C17 | 122.1° | 90.0° |
N2 | C14 | N3 | 116.9° | 90.0° |
C14 | N2 | H34 | 105.9° | 90.0° |
C17 | C18 | C19 | 106.4° | 90.0° |
C18 | C17 | C14 | 141.0° | 90.0° |
C18 | C17 | C16 | 105.2° | 90.0° |
C18 | C19 | N5 | 110.5° | 90.0° |
C18 | C19 | H17 | 124.8° | 90.0° |
C17 | C14 | N3 | 120.8° | 90.0° |
C14 | C17 | C16 | 113.8° | 90.0° |
C14 | N3 | C15 | 116.9° | 90.0° |
C17 | C16 | N5 | 109.2° | 90.0° |
C17 | C16 | N4 | 125.5° | 90.0° |
C19 | N5 | C16 | 108.7° | 90.0° |
N5 | C19 | H17 | 124.8° | 90.0° |
C19 | N5 | H35 | 125.7° | 90.0° |
N3 | C15 | N4 | 128.6° | 90.0° |
N3 | C15 | H16 | 115.7° | 90.0° |
N5 | C16 | N4 | 125.3° | 90.0° |
C16 | N5 | H35 | 125.6° | 90.0° |
C16 | N4 | C15 | 114.3° | 90.0° |
N4 | C15 | H16 | 115.7° | 90.0° |
H1 | C2 | H2 | 109.5° | 90.0° |
H4 | C7 | H5 | 109.4° | 90.0° |
H7 | C9 | H8 | 109.5° | 90.0° |
H9 | C10 | H10 | 109.5° | 90.0° |
H12 | C12 | H13 | 109.4° | 90.0° |
H14 | C13 | H15 | 109.5° | 90.0° |
H19 | C21 | H20 | 109.5° | 90.0° |
H21 | C22 | H22 | 109.5° | 90.0° |
H23 | C24 | H24 | 109.5° | 90.0° |
H26 | C6 | H27 | 109.5° | 90.0° |
H28 | C5 | H29 | 109.5° | 90.0° |
H31 | C | H32 | 109.5° | 90.0° |
H31 | C | H33 | 109.5° | 90.0° |
H32 | C | H33 | 109.5° | 90.0° |
H36 | C23 | H37 | 109.5° | 90.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C1 | C2 | C3 | H1 | 119.4° | 90.0° |
C1 | C2 | C3 | H2 | 119.4° | 90.0° |
C2 | C1 | O | N | 179.4° | 90.0° |
C1 | C2 | C3 | C7 | 110.8° | 90.0° |
C1 | C2 | C3 | C4 | 15.6° | 90.0° |
C2 | C1 | N | C4 | 0.9° | 90.0° |
C2 | C1 | N | C | 178.6° | 90.0° |
C1 | C2 | H1 | H2 | 121.7° | 90.0° |
C1 | C2 | C3 | H3 | 128.8° | 90.0° |
C3 | C2 | C1 | O | 171.1° | 90.0° |
C3 | C2 | C1 | N | 9.5° | 90.0° |
C2 | C3 | C7 | C4 | 123.4° | 90.0° |
C2 | C3 | C7 | H3 | 120.4° | 90.0° |
C2 | C3 | C4 | H3 | 113.2° | 90.0° |
C2 | C3 | C4 | N | 15.6° | 90.0° |
C2 | C3 | C7 | N1 | 79.0° | 90.0° |
C2 | C3 | C4 | C5 | 139.2° | 90.0° |
C3 | C2 | H1 | H2 | 121.7° | 90.0° |
C2 | C3 | C7 | H4 | 41.4° | 90.0° |
C2 | C3 | C7 | H5 | 160.5° | 90.0° |
C2 | C3 | C4 | H30 | 99.9° | 90.0° |
O | C1 | N | C4 | 178.6° | 90.0° |
O | C1 | N | C | 0.8° | 90.0° |
O | C1 | C2 | H1 | 51.6° | 90.0° |
O | C1 | C2 | H2 | 69.6° | 90.0° |
C1 | N | C4 | C3 | 10.7° | 90.0° |
C1 | N | C4 | C | 177.8° | 90.0° |
C1 | N | C4 | C5 | 134.2° | 90.0° |
N | C1 | C2 | H1 | 128.9° | 90.0° |
N | C1 | C2 | H2 | 109.9° | 90.0° |
C1 | N | C4 | H30 | 104.3° | 90.0° |
C1 | N | C | H31 | 180.0° | 90.0° |
C1 | N | C | H32 | 60.0° | 90.0° |
C1 | N | C | H33 | 60.0° | 90.0° |
C7 | C3 | C4 | H3 | 116.3° | 90.0° |
C7 | C3 | C4 | N | 114.8° | 90.0° |
C3 | C7 | N1 | H4 | 120.4° | 90.0° |
C3 | C7 | N1 | H5 | 120.4° | 90.0° |
C7 | C3 | C4 | C5 | 8.8° | 90.0° |
C3 | C7 | N1 | C8 | 157.3° | 90.0° |
C3 | C7 | N1 | C6 | 71.2° | 90.0° |
C7 | C3 | C2 | H1 | 8.6° | 90.0° |
C7 | C3 | C2 | H2 | 129.8° | 90.0° |
C3 | C7 | H4 | H5 | 118.7° | 90.0° |
C7 | C3 | C4 | H30 | 129.7° | 90.0° |
C3 | C4 | N | C5 | 123.5° | 90.0° |
C3 | C4 | N | H30 | 115.0° | 90.0° |
C3 | C4 | N | C | 171.5° | 90.0° |
C4 | C3 | C7 | N1 | 44.4° | 90.0° |
C3 | C4 | C5 | H30 | 120.9° | 90.0° |
C3 | C4 | C5 | C6 | 38.2° | 90.0° |
C4 | C3 | C2 | H1 | 135.0° | 90.0° |
C4 | C3 | C2 | H2 | 103.8° | 90.0° |
C4 | C3 | C7 | H4 | 164.8° | 90.0° |
C4 | C3 | C7 | H5 | 76.1° | 90.0° |
C3 | C4 | C5 | H28 | 83.1° | 90.0° |
C3 | C4 | C5 | H29 | 159.5° | 90.0° |
N | C4 | C5 | H30 | 121.9° | 90.0° |
N | C4 | C5 | C6 | 79.0° | 90.0° |
N | C4 | C3 | H3 | 128.8° | 90.0° |
N | C4 | C5 | H28 | 159.7° | 90.0° |
N | C4 | C5 | H29 | 42.3° | 90.0° |
C4 | N | C | H31 | 2.4° | 90.0° |
C4 | N | C | H32 | 117.6° | 90.0° |
C4 | N | C | H33 | 122.4° | 90.0° |
C | N | C4 | C5 | 48.1° | 90.0° |
C | N | C4 | H30 | 73.5° | 90.0° |
N | C | H31 | H32 | 120.0° | 90.0° |
N | C | H31 | H33 | 120.0° | 90.0° |
N | C | H32 | H33 | 120.0° | 90.0° |
C7 | N1 | C8 | C6 | 128.3° | 90.0° |
C7 | N1 | C8 | C13 | 130.2° | 90.0° |
C7 | N1 | C8 | C9 | 98.4° | 90.0° |
C7 | N1 | C6 | C5 | 39.3° | 90.0° |
N1 | C7 | C3 | H3 | 160.6° | 90.0° |
N1 | C7 | H4 | H5 | 118.7° | 90.0° |
C7 | N1 | C8 | H6 | 18.6° | 90.0° |
C7 | N1 | C6 | H26 | 159.8° | 90.0° |
C7 | N1 | C6 | H27 | 81.2° | 90.0° |
C4 | C5 | C6 | N1 | 13.5° | 90.0° |
C4 | C5 | C6 | H28 | 121.3° | 90.0° |
C4 | C5 | C6 | H29 | 121.3° | 90.0° |
C5 | C4 | C3 | H3 | 107.5° | 90.0° |
C4 | C5 | C6 | H26 | 107.0° | 90.0° |
C4 | C5 | C6 | H27 | 134.0° | 90.0° |
C4 | C5 | H28 | H29 | 115.9° | 90.0° |
N1 | C8 | C13 | C9 | 134.4° | 90.0° |
N1 | C8 | C13 | H6 | 112.0° | 90.0° |
N1 | C8 | C9 | H6 | 117.3° | 90.0° |
C8 | N1 | C6 | C5 | 170.0° | 90.0° |
N1 | C8 | C13 | C12 | 175.5° | 90.0° |
N1 | C8 | C9 | C10 | 176.5° | 90.0° |
C8 | N1 | C7 | H4 | 36.8° | 90.0° |
C8 | N1 | C7 | H5 | 82.3° | 90.0° |
N1 | C8 | C9 | H7 | 63.1° | 90.0° |
N1 | C8 | C9 | H8 | 56.1° | 90.0° |
N1 | C8 | C13 | H14 | 64.1° | 90.0° |
N1 | C8 | C13 | H15 | 55.1° | 90.0° |
C8 | N1 | C6 | H26 | 69.5° | 90.0° |
C8 | N1 | C6 | H27 | 49.4° | 90.0° |
C6 | N1 | C8 | C13 | 101.5° | 90.0° |
C6 | N1 | C8 | C9 | 29.9° | 90.0° |
N1 | C6 | C5 | H26 | 120.5° | 90.0° |
N1 | C6 | C5 | H27 | 120.5° | 90.0° |
C6 | N1 | C7 | H4 | 168.3° | 90.0° |
C6 | N1 | C7 | H5 | 49.2° | 90.0° |
C6 | N1 | C8 | H6 | 146.9° | 90.0° |
N1 | C6 | H26 | H27 | 118.4° | 90.0° |
N1 | C6 | C5 | H28 | 107.8° | 90.0° |
N1 | C6 | C5 | H29 | 134.8° | 90.0° |
O1 | C22 | C21 | H21 | 120.2° | 90.0° |
O1 | C22 | C21 | H22 | 120.2° | 90.0° |
C22 | O1 | C23 | C24 | 62.4° | 90.0° |
O1 | C22 | C21 | C20 | 58.1° | 90.0° |
O1 | C22 | C21 | H19 | 178.2° | 90.0° |
O1 | C22 | C21 | H20 | 62.0° | 90.0° |
O1 | C22 | H21 | H22 | 119.3° | 90.0° |
C22 | O1 | C23 | H36 | 177.3° | 90.0° |
C22 | O1 | C23 | H37 | 57.9° | 90.0° |
C23 | O1 | C22 | C21 | 63.4° | 90.0° |
O1 | C23 | C24 | H36 | 120.3° | 90.0° |
O1 | C23 | C24 | H37 | 120.3° | 90.0° |
O1 | C23 | C24 | C20 | 56.0° | 90.0° |
C23 | O1 | C22 | H21 | 56.9° | 90.0° |
C23 | O1 | C22 | H22 | 176.4° | 90.0° |
O1 | C23 | C24 | H23 | 64.2° | 90.0° |
O1 | C23 | C24 | H24 | 176.1° | 90.0° |
O1 | C23 | H36 | H37 | 119.1° | 90.0° |
C22 | C21 | C20 | H19 | 120.1° | 90.0° |
C22 | C21 | C20 | H20 | 120.1° | 90.0° |
C22 | C21 | C20 | C24 | 51.6° | 90.0° |
C22 | C21 | C20 | C18 | 172.5° | 90.0° |
C22 | C21 | C20 | H18 | 66.9° | 90.0° |
C22 | C21 | H19 | H20 | 119.7° | 90.0° |
C21 | C22 | H21 | H22 | 119.3° | 90.0° |
C13 | C8 | C9 | H6 | 113.6° | 90.0° |
C8 | C13 | C12 | H14 | 120.4° | 90.0° |
C8 | C13 | C12 | H15 | 120.4° | 90.0° |
C8 | C13 | C12 | C11 | 56.0° | 90.0° |
C13 | C8 | C9 | C10 | 47.4° | 90.0° |
C13 | C8 | C9 | H7 | 167.8° | 90.0° |
C13 | C8 | C9 | H8 | 73.0° | 90.0° |
C8 | C13 | C12 | H12 | 176.2° | 90.0° |
C8 | C13 | C12 | H13 | 64.2° | 90.0° |
C8 | C13 | H14 | H15 | 118.9° | 90.0° |
C9 | C8 | C13 | C12 | 50.1° | 90.0° |
C8 | C9 | C10 | H7 | 120.4° | 90.0° |
C8 | C9 | C10 | H8 | 120.4° | 90.0° |
C8 | C9 | C10 | C11 | 50.9° | 90.0° |
C8 | C9 | H7 | H8 | 118.7° | 90.0° |
C8 | C9 | C10 | H9 | 69.5° | 90.0° |
C8 | C9 | C10 | H10 | 171.3° | 90.0° |
C9 | C8 | C13 | H14 | 70.3° | 90.0° |
C9 | C8 | C13 | H15 | 170.4° | 90.0° |
C23 | C24 | C20 | C21 | 50.6° | 90.0° |
C23 | C24 | C20 | H23 | 120.1° | 90.0° |
C23 | C24 | C20 | H24 | 120.1° | 90.0° |
C23 | C24 | C20 | C18 | 174.1° | 90.0° |
C23 | C24 | C20 | H18 | 67.9° | 90.0° |
C23 | C24 | H23 | H24 | 119.6° | 90.0° |
C24 | C23 | H36 | H37 | 119.2° | 90.0° |
C5 | C6 | H26 | H27 | 118.4° | 90.0° |
C6 | C5 | H28 | H29 | 115.9° | 90.0° |
C6 | C5 | C4 | H30 | 159.1° | 90.0° |
C13 | C12 | C11 | H12 | 120.2° | 90.0° |
C13 | C12 | C11 | H13 | 120.2° | 90.0° |
C13 | C12 | C11 | C10 | 59.4° | 90.0° |
C13 | C12 | C11 | N2 | 175.6° | 90.0° |
C12 | C13 | C8 | H6 | 63.5° | 90.0° |
C13 | C12 | C11 | H11 | 57.4° | 90.0° |
C13 | C12 | H12 | H13 | 119.3° | 90.0° |
C12 | C13 | H14 | H15 | 118.9° | 90.0° |
C12 | C11 | C10 | C9 | 57.0° | 90.0° |
C12 | C11 | C10 | N2 | 124.5° | 90.0° |
C12 | C11 | C10 | H11 | 116.8° | 90.0° |
C12 | C11 | N2 | H11 | 117.8° | 90.0° |
C12 | C11 | N2 | C14 | 145.8° | 90.0° |
C12 | C11 | C10 | H9 | 63.3° | 90.0° |
C12 | C11 | C10 | H10 | 177.4° | 90.0° |
C11 | C12 | H12 | H13 | 119.3° | 90.0° |
C11 | C12 | C13 | H14 | 64.3° | 90.0° |
C11 | C12 | C13 | H15 | 176.4° | 90.0° |
C12 | C11 | N2 | H34 | 23.9° | 90.0° |
C21 | C20 | C24 | C18 | 123.4° | 90.0° |
C21 | C20 | C24 | H18 | 118.5° | 90.0° |
C21 | C20 | C18 | H18 | 120.4° | 90.0° |
C21 | C20 | C18 | C17 | 66.0° | 90.0° |
C21 | C20 | C18 | C19 | 119.3° | 90.0° |
C20 | C21 | H19 | H20 | 119.7° | 90.0° |
C20 | C21 | C22 | H21 | 62.2° | 90.0° |
C20 | C21 | C22 | H22 | 178.3° | 90.0° |
C21 | C20 | C24 | H23 | 69.5° | 90.0° |
C21 | C20 | C24 | H24 | 170.8° | 90.0° |
C9 | C10 | C11 | H9 | 120.4° | 90.0° |
C9 | C10 | C11 | H10 | 120.4° | 90.0° |
C9 | C10 | C11 | N2 | 178.4° | 90.0° |
C10 | C9 | C8 | H6 | 66.2° | 90.0° |
C10 | C9 | H7 | H8 | 118.7° | 90.0° |
C9 | C10 | H9 | H10 | 118.9° | 90.0° |
C9 | C10 | C11 | H11 | 59.8° | 90.0° |
C24 | C20 | C18 | H18 | 117.8° | 90.0° |
C24 | C20 | C18 | C17 | 172.2° | 90.0° |
C24 | C20 | C18 | C19 | 2.5° | 90.0° |
C24 | C20 | C21 | H19 | 171.7° | 90.0° |
C24 | C20 | C21 | H20 | 68.5° | 90.0° |
C20 | C24 | H23 | H24 | 119.6° | 90.0° |
C20 | C24 | C23 | H36 | 176.2° | 90.0° |
C20 | C24 | C23 | H37 | 64.3° | 90.0° |
C10 | C11 | N2 | H11 | 118.2° | 90.0° |
C10 | C11 | N2 | C14 | 90.2° | 90.0° |
C11 | C10 | C9 | H7 | 171.4° | 90.0° |
C11 | C10 | C9 | H8 | 69.5° | 90.0° |
C11 | C10 | H9 | H10 | 118.8° | 90.0° |
C10 | C11 | C12 | H12 | 179.6° | 90.0° |
C10 | C11 | C12 | H13 | 60.8° | 90.0° |
C10 | C11 | N2 | H34 | 147.9° | 90.0° |
C20 | C18 | C17 | C19 | 175.6° | 90.0° |
C20 | C18 | C17 | C14 | 1.8° | 90.0° |
C20 | C18 | C17 | C16 | 176.5° | 90.0° |
C20 | C18 | C19 | N5 | 177.0° | 90.0° |
C20 | C18 | C19 | H17 | 3.0° | 90.0° |
C18 | C20 | C21 | H19 | 67.4° | 90.0° |
C18 | C20 | C21 | H20 | 52.4° | 90.0° |
C18 | C20 | C24 | H23 | 53.9° | 90.0° |
C18 | C20 | C24 | H24 | 65.8° | 90.0° |
C11 | N2 | C14 | H34 | 121.9° | 90.0° |
C11 | N2 | C14 | C17 | 179.0° | 90.0° |
C11 | N2 | C14 | N3 | 5.2° | 90.0° |
N2 | C11 | C10 | H9 | 61.2° | 90.0° |
N2 | C11 | C10 | H10 | 58.1° | 90.0° |
N2 | C11 | C12 | H12 | 55.3° | 90.0° |
N2 | C11 | C12 | H13 | 64.2° | 90.0° |
N2 | C14 | C17 | C18 | 4.6° | 90.0° |
N2 | C14 | C17 | N3 | 175.7° | 90.0° |
N2 | C14 | C17 | C16 | 173.6° | 90.0° |
N2 | C14 | N3 | C15 | 174.2° | 90.0° |
C14 | N2 | C11 | H11 | 28.0° | 90.0° |
C18 | C17 | C14 | C16 | 178.2° | 90.0° |
C18 | C17 | C14 | N3 | 179.7° | 90.0° |
C17 | C18 | C19 | N5 | 1.4° | 90.0° |
C18 | C17 | C16 | N5 | 0.1° | 90.0° |
C18 | C17 | C16 | N4 | 179.9° | 90.0° |
C17 | C18 | C19 | H17 | 178.6° | 90.0° |
C17 | C18 | C20 | H18 | 54.4° | 90.0° |
C19 | C18 | C17 | C14 | 177.4° | 90.0° |
C19 | C18 | C17 | C16 | 0.9° | 90.0° |
C18 | C19 | N5 | H17 | 180.0° | 90.0° |
C18 | C19 | N5 | C16 | 1.4° | 90.0° |
C19 | C18 | C20 | H18 | 120.3° | 90.0° |
C18 | C19 | N5 | H35 | 178.6° | 90.0° |
C17 | C14 | N3 | C15 | 1.7° | 90.0° |
C14 | C17 | C16 | N5 | 178.7° | 90.0° |
C14 | C17 | C16 | N4 | 1.3° | 90.0° |
C17 | C14 | N2 | H34 | 57.1° | 90.0° |
N3 | C14 | C17 | C16 | 2.1° | 90.0° |
C14 | N3 | C15 | N4 | 0.4° | 90.0° |
C14 | N3 | C15 | H16 | 179.6° | 90.0° |
N3 | C14 | N2 | H34 | 127.1° | 90.0° |
C17 | C16 | N5 | C19 | 0.8° | 90.0° |
C17 | C16 | N5 | N4 | 180.0° | 90.0° |
C17 | C16 | N4 | C15 | 0.2° | 90.0° |
C17 | C16 | N5 | H35 | 179.2° | 90.0° |
C19 | N5 | C16 | H35 | 180.0° | 90.0° |
C19 | N5 | C16 | N4 | 179.3° | 90.0° |
N3 | C15 | N4 | C16 | 0.4° | 90.0° |
N3 | C15 | N4 | H16 | 180.0° | 90.0° |
N5 | C16 | N4 | C15 | 179.9° | 90.0° |
C16 | N5 | C19 | H17 | 178.6° | 90.0° |
C16 | N4 | C15 | H16 | 179.6° | 90.0° |
N4 | C16 | N5 | H35 | 0.8° | 90.0° |
H1 | C2 | C3 | H3 | 111.8° | 90.0° |
H2 | C2 | C3 | H3 | 9.4° | 90.0° |
H3 | C3 | C7 | H4 | 79.0° | 90.0° |
H3 | C3 | C7 | H5 | 40.2° | 90.0° |
H3 | C3 | C4 | H30 | 13.4° | 90.0° |
H6 | C8 | C9 | H7 | 54.2° | 90.0° |
H6 | C8 | C9 | H8 | 173.4° | 90.0° |
H6 | C8 | C13 | H14 | 176.1° | 90.0° |
H6 | C8 | C13 | H15 | 56.8° | 90.0° |
H7 | C9 | C10 | H9 | 51.0° | 90.0° |
H7 | C9 | C10 | H10 | 68.3° | 90.0° |
H8 | C9 | C10 | H9 | 170.1° | 90.0° |
H8 | C9 | C10 | H10 | 50.9° | 90.0° |
H9 | C10 | C11 | H11 | 179.8° | 90.0° |
H10 | C10 | C11 | H11 | 60.6° | 90.0° |
H11 | C11 | C12 | H12 | 62.8° | 90.0° |
H11 | C11 | C12 | H13 | 177.6° | 90.0° |
H11 | C11 | N2 | H34 | 93.9° | 90.0° |
H12 | C12 | C13 | H14 | 55.9° | 90.0° |
H12 | C12 | C13 | H15 | 63.4° | 90.0° |
H13 | C12 | C13 | H14 | 175.4° | 90.0° |
H13 | C12 | C13 | H15 | 56.2° | 90.0° |
H17 | C19 | N5 | H35 | 1.4° | 90.0° |
H18 | C20 | C21 | H19 | 53.2° | 90.0° |
H18 | C20 | C21 | H20 | 173.0° | 90.0° |
H18 | C20 | C24 | H23 | 172.0° | 90.0° |
H18 | C20 | C24 | H24 | 52.2° | 90.0° |
H19 | C21 | C22 | H21 | 57.9° | 90.0° |
H19 | C21 | C22 | H22 | 61.6° | 90.0° |
H20 | C21 | C22 | H21 | 177.7° | 90.0° |
H20 | C21 | C22 | H22 | 58.2° | 90.0° |
H23 | C24 | C23 | H36 | 56.1° | 90.0° |
H23 | C24 | C23 | H37 | 175.5° | 90.0° |
H24 | C24 | C23 | H36 | 63.7° | 90.0° |
H24 | C24 | C23 | H37 | 55.8° | 90.0° |
H26 | C6 | C5 | H28 | 131.7° | 90.0° |
H26 | C6 | C5 | H29 | 14.2° | 90.0° |
H27 | C6 | C5 | H28 | 12.7° | 90.0° |
H27 | C6 | C5 | H29 | 104.7° | 90.0° |
H28 | C5 | C4 | H30 | 37.8° | 90.0° |
H29 | C5 | C4 | H30 | 79.6° | 90.0° |
H31 | C | H32 | H33 | 120.0° | 90.0° |