NMZ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N6 | C6 | sing | 1.47Å | 1.42Å | |
C6 | C5 | sing | 1.53Å | 1.56Å | |
N9 | C9 | sing | 1.47Å | 1.47Å | |
C5 | C4 | sing | 1.53Å | 1.59Å | |
C5 | O5 | sing | 1.43Å | 1.53Å | |
C4 | F99 | sing | 1.40Å | 1.41Å | |
C4 | C3 | sing | 1.53Å | 1.54Å | |
C9 | C8 | sing | 1.53Å | 1.57Å | |
C9 | C10 | sing | 1.53Å | 1.54Å | |
C8 | C7 | sing | 1.53Å | 1.61Å | |
C3 | O23 | sing | 1.43Å | 1.14Å | |
C3 | C2 | sing | 1.53Å | 1.55Å | |
O5 | C1 | sing | 1.43Å | 1.52Å | |
O1 | C10 | sing | 1.43Å | 1.44Å | |
O1 | C1 | sing | 1.43Å | 1.40Å | |
O19 | C28 | sing | 1.43Å | 1.43Å | |
C10 | C11 | sing | 1.53Å | 1.58Å | |
O2 | C26 | doub | 1.21Å | 1.24Å | |
C28 | C26 | sing | 1.51Å | 1.62Å | |
C28 | C24 | sing | 1.53Å | 1.33Å | |
C26 | N7 | sing | 1.35Å | 1.50Å | |
C1 | C2 | sing | 1.53Å | 1.57Å | |
N7 | C7 | sing | 1.46Å | 1.49Å | |
C7 | C12 | sing | 1.53Å | 1.60Å | |
C2 | N2 | sing | 1.47Å | 1.52Å | |
C27 | C24 | sing | 1.53Å | 1.38Å | |
C27 | N3 | sing | 1.47Å | 1.42Å | |
C11 | C12 | sing | 1.53Å | 1.61Å | |
C11 | O11 | sing | 1.43Å | 1.48Å | |
C12 | O12 | sing | 1.43Å | 1.39Å | |
O11 | C13 | sing | 1.43Å | 1.29Å | |
C13 | O16 | sing | 1.44Å | 1.46Å | |
C13 | C14 | sing | 1.54Å | 1.56Å | |
O16 | C16 | sing | 1.44Å | 1.41Å | |
O17 | C17 | sing | 1.43Å | 1.42Å | |
C17 | C16 | sing | 1.53Å | 1.53Å | |
C14 | O14 | sing | 1.43Å | 1.39Å | |
C14 | C15 | sing | 1.55Å | 1.47Å | |
C16 | C15 | sing | 1.55Å | 1.56Å | |
C15 | O18 | sing | 1.43Å | 1.50Å | |
O18 | C18 | sing | 1.43Å | 1.37Å | |
C18 | O22 | sing | 1.43Å | 1.56Å | |
C18 | C19 | sing | 1.53Å | 1.50Å | |
O22 | C22 | sing | 1.43Å | 1.52Å | |
N19 | C23 | sing | 1.47Å | 1.53Å | |
N23 | C19 | sing | 1.47Å | 1.41Å | |
C19 | C20 | sing | 1.53Å | 1.58Å | |
C23 | C22 | sing | 1.53Å | 1.59Å | |
C22 | C21 | sing | 1.53Å | 1.44Å | |
O24 | C21 | sing | 1.43Å | 1.15Å | |
C20 | C21 | sing | 1.53Å | 1.57Å | |
C20 | O25 | sing | 1.43Å | 1.15Å | |
C4 | H1 | sing | 1.09Å | 1.10Å | |
C5 | H2 | sing | 1.09Å | 1.10Å | |
C6 | H3 | sing | 1.09Å | 1.10Å | |
C6 | H4 | sing | 1.09Å | 1.10Å | |
C3 | H5 | sing | 1.09Å | 1.10Å | |
C2 | H6 | sing | 1.09Å | 1.10Å | |
C1 | H7 | sing | 1.09Å | 1.10Å | |
C10 | H8 | sing | 1.09Å | 1.10Å | |
C11 | H9 | sing | 1.09Å | 1.10Å | |
C12 | H10 | sing | 1.09Å | 1.10Å | |
C13 | H11 | sing | 1.09Å | 1.10Å | |
C14 | H12 | sing | 1.09Å | 1.10Å | |
C15 | H13 | sing | 1.09Å | 1.10Å | |
C16 | H14 | sing | 1.09Å | 1.10Å | |
C17 | H15 | sing | 1.09Å | 1.10Å | |
C17 | 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 | |
C22 | H21 | sing | 1.09Å | 1.10Å | |
C23 | H22 | sing | 1.09Å | 1.10Å | |
C23 | H23 | sing | 1.09Å | 1.10Å | |
C24 | H24 | sing | 1.09Å | 1.10Å | |
C24 | H25 | sing | 1.09Å | 1.10Å | |
C27 | H26 | sing | 1.09Å | 1.10Å | |
C27 | H27 | sing | 1.09Å | 1.10Å | |
C28 | H28 | sing | 1.09Å | 1.10Å | |
C7 | H29 | sing | 1.09Å | 1.10Å | |
C8 | H30 | sing | 1.09Å | 1.10Å | |
C8 | H31 | sing | 1.09Å | 1.10Å | |
C9 | H32 | sing | 1.09Å | 1.10Å | |
N19 | H33 | sing | 1.01Å | 1.00Å | |
N19 | H34 | sing | 1.01Å | 1.00Å | |
N2 | H36 | sing | 1.01Å | 1.00Å | |
N2 | H37 | sing | 1.01Å | 1.00Å | |
N23 | H39 | sing | 1.01Å | 1.00Å | |
N23 | H40 | sing | 1.01Å | 1.00Å | |
N3 | H42 | sing | 1.01Å | 1.00Å | |
N3 | H43 | sing | 1.01Å | 1.00Å | |
N6 | H45 | sing | 1.01Å | 1.00Å | |
N6 | H46 | sing | 1.01Å | 1.00Å | |
N7 | H48 | sing | 0.97Å | 1.00Å | |
N9 | H49 | sing | 1.01Å | 1.00Å | |
N9 | H50 | sing | 1.01Å | 1.00Å | |
O12 | H52 | sing | 0.97Å | 0.95Å | |
O14 | H53 | sing | 0.97Å | 0.95Å | |
O17 | H54 | sing | 0.97Å | 0.95Å | |
O19 | H55 | sing | 0.97Å | 0.95Å | |
O23 | H56 | sing | 0.97Å | 0.95Å | |
O24 | H57 | sing | 0.97Å | 0.95Å | |
O25 | H58 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N6 | C6 | C5 | 113.8° | 109.5° |
N6 | C6 | H3 | 108.4° | 109.4° |
N6 | C6 | H4 | 108.4° | 109.5° |
C6 | N6 | H45 | 109.5° | 111.0° |
C6 | N6 | H46 | 109.5° | 111.0° |
C6 | C5 | C4 | 111.5° | 109.5° |
C6 | C5 | O5 | 111.5° | 109.4° |
C6 | C5 | H2 | 108.7° | 109.5° |
C5 | C6 | H3 | 108.4° | 109.4° |
C5 | C6 | H4 | 108.4° | 109.5° |
N9 | C9 | C8 | 110.9° | 109.5° |
N9 | C9 | C10 | 108.2° | 109.5° |
N9 | C9 | H32 | 109.9° | 109.5° |
C9 | N9 | H49 | 109.5° | 111.0° |
C9 | N9 | H50 | 109.5° | 111.0° |
C4 | C5 | O5 | 107.8° | 109.4° |
C5 | C4 | F99 | 108.1° | 109.5° |
C5 | C4 | C3 | 111.7° | 109.1° |
C5 | C4 | H1 | 108.0° | 109.6° |
C4 | C5 | H2 | 108.3° | 109.5° |
C5 | O5 | C1 | 114.7° | 114.1° |
O5 | C5 | H2 | 109.0° | 109.5° |
F99 | C4 | C3 | 109.9° | 109.6° |
F99 | C4 | H1 | 110.4° | 109.5° |
C4 | C3 | O23 | 109.2° | 109.5° |
C4 | C3 | C2 | 110.4° | 109.0° |
C3 | C4 | H1 | 108.6° | 109.5° |
C4 | C3 | H5 | 107.3° | 109.6° |
C8 | C9 | C10 | 110.3° | 109.5° |
C9 | C8 | C7 | 110.4° | 109.5° |
C9 | C8 | H30 | 109.2° | 109.4° |
C9 | C8 | H31 | 109.2° | 109.4° |
C8 | C9 | H32 | 108.6° | 109.4° |
C9 | C10 | O1 | 105.9° | 109.4° |
C9 | C10 | C11 | 110.5° | 109.5° |
C9 | C10 | H8 | 109.1° | 109.5° |
C10 | C9 | H32 | 108.9° | 109.5° |
C8 | C7 | N7 | 107.0° | 109.5° |
C8 | C7 | C12 | 107.1° | 109.5° |
C8 | C7 | H29 | 109.9° | 109.5° |
C7 | C8 | H30 | 109.2° | 109.5° |
C7 | C8 | H31 | 109.2° | 109.5° |
O23 | C3 | C2 | 109.0° | 109.5° |
O23 | C3 | H5 | 113.6° | 109.6° |
C3 | O23 | H56 | 109.5° | 114.0° |
C3 | C2 | C1 | 110.4° | 109.1° |
C3 | C2 | N2 | 111.4° | 109.5° |
C2 | C3 | H5 | 107.2° | 109.6° |
C3 | C2 | H6 | 108.6° | 109.5° |
O5 | C1 | O1 | 109.9° | 109.5° |
O5 | C1 | C2 | 109.0° | 109.4° |
O5 | C1 | H7 | 109.0° | 109.5° |
C10 | O1 | C1 | 129.1° | 114.0° |
O1 | C10 | C11 | 112.2° | 109.5° |
O1 | C10 | H8 | 110.6° | 109.4° |
O1 | C1 | C2 | 109.7° | 109.5° |
O1 | C1 | H7 | 110.8° | 109.5° |
O19 | C28 | C26 | 109.9° | 109.5° |
O19 | C28 | C24 | 110.8° | 109.5° |
O19 | C28 | H28 | 110.2° | 109.4° |
C28 | O19 | H55 | 109.5° | 114.0° |
C10 | C11 | C12 | 108.9° | 109.5° |
C10 | C11 | O11 | 106.3° | 109.5° |
C11 | C10 | H8 | 108.5° | 109.5° |
C10 | C11 | H9 | 109.8° | 109.5° |
O2 | C26 | C28 | 123.5° | 120.0° |
O2 | C26 | N7 | 125.4° | 120.0° |
C26 | C28 | C24 | 106.4° | 109.5° |
C28 | C26 | N7 | 111.0° | 120.0° |
C26 | C28 | H28 | 107.8° | 109.5° |
C28 | C24 | C27 | 108.1° | 109.5° |
C28 | C24 | H24 | 109.8° | 109.4° |
C28 | C24 | H25 | 109.8° | 109.5° |
C24 | C28 | H28 | 111.7° | 109.5° |
C26 | N7 | C7 | 116.9° | 120.0° |
C26 | N7 | H48 | 121.6° | 120.0° |
C1 | C2 | N2 | 109.1° | 109.5° |
C1 | C2 | H6 | 108.3° | 109.6° |
C2 | C1 | H7 | 108.4° | 109.5° |
N7 | C7 | C12 | 111.3° | 109.5° |
N7 | C7 | H29 | 111.4° | 109.4° |
C7 | N7 | H48 | 121.5° | 120.0° |
C7 | C12 | C11 | 107.4° | 109.4° |
C7 | C12 | O12 | 109.1° | 109.5° |
C7 | C12 | H10 | 109.8° | 109.5° |
C12 | C7 | H29 | 110.0° | 109.5° |
N2 | C2 | H6 | 109.0° | 109.5° |
C2 | N2 | H36 | 109.5° | 111.0° |
C2 | N2 | H37 | 109.5° | 111.0° |
C24 | C27 | N3 | 131.7° | 109.4° |
C27 | C24 | H24 | 109.8° | 109.5° |
C27 | C24 | H25 | 109.8° | 109.5° |
C24 | C27 | H26 | 103.7° | 109.5° |
C24 | C27 | H27 | 103.7° | 109.4° |
N3 | C27 | H26 | 103.7° | 109.5° |
N3 | C27 | H27 | 103.7° | 109.4° |
C27 | N3 | H42 | 109.5° | 111.0° |
C27 | N3 | H43 | 109.5° | 111.1° |
C12 | C11 | O11 | 111.1° | 109.4° |
C11 | C12 | O12 | 108.0° | 109.5° |
C12 | C11 | H9 | 109.4° | 109.5° |
C11 | C12 | H10 | 109.6° | 109.5° |
C11 | O11 | C13 | 127.0° | 114.0° |
O11 | C11 | H9 | 111.3° | 109.5° |
O12 | C12 | H10 | 112.9° | 109.5° |
C12 | O12 | H52 | 109.5° | 114.0° |
O11 | C13 | O16 | 114.9° | 110.4° |
O11 | C13 | C14 | 115.7° | 110.4° |
O11 | C13 | H11 | 108.7° | 110.3° |
O16 | C13 | C14 | 105.1° | 104.9° |
C13 | O16 | C16 | 114.2° | 105.3° |
O16 | C13 | H11 | 106.4° | 110.4° |
C13 | C14 | O14 | 108.1° | 110.5° |
C13 | C14 | C15 | 98.6° | 104.0° |
C14 | C13 | H11 | 105.4° | 110.4° |
C13 | C14 | H12 | 111.1° | 110.5° |
O16 | C16 | C17 | 117.7° | 110.5° |
O16 | C16 | C15 | 98.2° | 104.8° |
O16 | C16 | H14 | 108.5° | 110.4° |
O17 | C17 | C16 | 106.3° | 109.5° |
O17 | C17 | H15 | 110.3° | 109.5° |
O17 | C17 | H16 | 110.3° | 109.5° |
C17 | O17 | H54 | 109.5° | 114.0° |
C17 | C16 | C15 | 118.2° | 110.4° |
C17 | C16 | H14 | 106.9° | 110.4° |
C16 | C17 | H15 | 110.3° | 109.4° |
C16 | C17 | H16 | 110.2° | 109.5° |
O14 | C14 | C15 | 111.7° | 110.5° |
O14 | C14 | H12 | 113.8° | 110.5° |
C14 | O14 | H53 | 109.5° | 114.0° |
C14 | C15 | C16 | 108.2° | 104.1° |
C14 | C15 | O18 | 106.4° | 110.5° |
C15 | C14 | H12 | 112.5° | 110.6° |
C14 | C15 | H13 | 110.4° | 110.6° |
C16 | C15 | O18 | 112.8° | 110.5° |
C16 | C15 | H13 | 109.1° | 110.6° |
C15 | C16 | H14 | 106.6° | 110.4° |
C15 | O18 | C18 | 117.9° | 114.0° |
O18 | C15 | H13 | 109.9° | 110.5° |
O18 | C18 | O22 | 113.7° | 109.5° |
O18 | C18 | C19 | 112.1° | 109.5° |
O18 | C18 | H17 | 109.1° | 109.5° |
O22 | C18 | C19 | 107.9° | 109.5° |
C18 | O22 | C22 | 116.2° | 114.1° |
O22 | C18 | H17 | 106.5° | 109.5° |
C18 | C19 | N23 | 110.0° | 109.5° |
C18 | C19 | C20 | 109.4° | 109.1° |
C19 | C18 | H17 | 107.3° | 109.5° |
C18 | C19 | H18 | 109.7° | 109.6° |
O22 | C22 | C23 | 110.8° | 109.5° |
O22 | C22 | C21 | 110.7° | 109.4° |
O22 | C22 | H21 | 108.2° | 109.5° |
N19 | C23 | C22 | 113.8° | 109.5° |
N19 | C23 | H22 | 108.4° | 109.4° |
N19 | C23 | H23 | 108.4° | 109.4° |
C23 | N19 | H33 | 109.5° | 111.0° |
C23 | N19 | H34 | 109.5° | 111.1° |
N23 | C19 | C20 | 108.1° | 109.5° |
N23 | C19 | H18 | 111.0° | 109.6° |
C19 | N23 | H39 | 109.5° | 111.0° |
C19 | N23 | H40 | 109.5° | 111.0° |
C19 | C20 | C21 | 113.7° | 109.1° |
C19 | C20 | O25 | 108.1° | 109.5° |
C20 | C19 | H18 | 108.7° | 109.6° |
C19 | C20 | H19 | 107.2° | 109.5° |
C23 | C22 | C21 | 110.5° | 109.5° |
C23 | C22 | H21 | 107.3° | 109.5° |
C22 | C23 | H22 | 108.4° | 109.5° |
C22 | C23 | H23 | 108.4° | 109.5° |
C22 | C21 | O24 | 108.9° | 109.6° |
C22 | C21 | C20 | 108.8° | 109.2° |
C22 | C21 | H20 | 109.0° | 109.5° |
C21 | C22 | H21 | 109.2° | 109.5° |
O24 | C21 | C20 | 108.4° | 109.5° |
O24 | C21 | H20 | 114.2° | 109.5° |
C21 | O24 | H57 | 109.5° | 114.1° |
C21 | C20 | O25 | 106.7° | 109.5° |
C21 | C20 | H19 | 107.3° | 109.6° |
C20 | C21 | H20 | 107.4° | 109.5° |
O25 | C20 | H19 | 113.9° | 109.6° |
C20 | O25 | H58 | 109.5° | 114.0° |
H3 | C6 | H4 | 109.5° | 109.4° |
H15 | C17 | H16 | 109.5° | 109.4° |
H22 | C23 | H23 | 109.4° | 109.5° |
H24 | C24 | H25 | 109.5° | 109.5° |
H26 | C27 | H27 | 109.5° | 109.5° |
H30 | C8 | H31 | 109.5° | 109.5° |
H33 | N19 | H34 | 109.4° | 110.9° |
H36 | N2 | H37 | 109.4° | 111.0° |
H39 | N23 | H40 | 109.5° | 111.0° |
H42 | N3 | H43 | 109.5° | 111.0° |
H45 | N6 | H46 | 109.5° | 111.0° |
H49 | N9 | H50 | 109.4° | 111.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N6 | C6 | C5 | H3 | 120.6° | 119.9° |
N6 | C6 | C5 | H4 | 120.7° | 120.1° |
N6 | C6 | C5 | C4 | 179.0° | 173.7° |
N6 | C6 | C5 | O5 | 58.5° | 66.4° |
N6 | C6 | C5 | H2 | 61.7° | 53.7° |
N6 | C6 | H3 | H4 | 118.0° | 120.0° |
C6 | N6 | H45 | H46 | 120.0° | 124.0° |
C6 | C5 | C4 | O5 | 122.7° | 119.9° |
C6 | C5 | C4 | H2 | 119.5° | 120.1° |
C6 | C5 | O5 | H2 | 120.0° | 120.0° |
C6 | C5 | C4 | F99 | 56.7° | 57.6° |
C6 | C5 | C4 | C3 | 177.8° | 177.6° |
C6 | C5 | O5 | C1 | 179.2° | 178.9° |
C6 | C5 | C4 | H1 | 62.8° | 62.5° |
C5 | C6 | H3 | H4 | 118.0° | 120.0° |
C5 | C6 | N6 | H45 | 180.0° | 66.2° |
C5 | C6 | N6 | H46 | 60.0° | 169.8° |
N9 | C9 | C8 | C10 | 119.9° | 120.0° |
N9 | C9 | C8 | H32 | 120.8° | 120.0° |
N9 | C9 | C10 | H32 | 119.5° | 120.0° |
N9 | C9 | C8 | C7 | 179.1° | 180.0° |
N9 | C9 | C10 | O1 | 58.4° | 60.0° |
N9 | C9 | C10 | C11 | 179.9° | 180.0° |
N9 | C9 | C10 | H8 | 60.6° | 60.0° |
N9 | C9 | C8 | H30 | 60.7° | 60.0° |
N9 | C9 | C8 | H31 | 59.0° | 60.0° |
C9 | N9 | H49 | H50 | 120.0° | 124.0° |
C4 | C5 | O5 | H2 | 117.4° | 120.0° |
C5 | C4 | F99 | C3 | 122.2° | 119.7° |
C5 | C4 | F99 | H1 | 118.0° | 120.2° |
C5 | C4 | C3 | H1 | 119.0° | 120.0° |
C5 | C4 | C3 | O23 | 177.6° | 176.8° |
C5 | C4 | C3 | C2 | 57.7° | 57.0° |
C4 | C5 | O5 | C1 | 56.5° | 61.2° |
C4 | C5 | C6 | H3 | 58.4° | 53.8° |
C4 | C5 | C6 | H4 | 60.3° | 66.2° |
C5 | C4 | C3 | H5 | 58.9° | 63.0° |
O5 | C5 | C4 | F99 | 66.0° | 62.3° |
O5 | C5 | C4 | C3 | 55.1° | 57.7° |
C5 | O5 | C1 | O1 | 62.2° | 58.8° |
C5 | O5 | C1 | C2 | 58.1° | 61.2° |
O5 | C5 | C4 | H1 | 174.5° | 177.6° |
O5 | C5 | C6 | H3 | 62.1° | 173.7° |
O5 | C5 | C6 | H4 | 179.2° | 53.7° |
C5 | O5 | C1 | H7 | 176.2° | 178.8° |
F99 | C4 | C3 | H1 | 120.9° | 120.1° |
F99 | C4 | C3 | O23 | 57.5° | 56.9° |
F99 | C4 | C3 | C2 | 62.4° | 62.9° |
F99 | C4 | C5 | H2 | 176.1° | 177.7° |
F99 | C4 | C3 | H5 | 179.0° | 177.1° |
C4 | C3 | O23 | C2 | 120.8° | 119.5° |
C4 | C3 | O23 | H5 | 119.7° | 120.2° |
C4 | C3 | C2 | H5 | 116.6° | 119.9° |
C4 | C3 | C2 | C1 | 57.8° | 57.0° |
C4 | C3 | C2 | N2 | 179.2° | 176.9° |
C3 | C4 | C5 | H2 | 62.7° | 62.4° |
C4 | C3 | C2 | H6 | 60.8° | 63.0° |
C4 | C3 | O23 | H56 | 180.0° | 60.0° |
C8 | C9 | C10 | H32 | 119.0° | 120.0° |
C9 | C8 | C7 | H30 | 120.1° | 120.0° |
C9 | C8 | C7 | H31 | 120.1° | 120.0° |
C8 | C9 | C10 | O1 | 179.9° | 180.0° |
C8 | C9 | C10 | C11 | 58.4° | 60.0° |
C9 | C8 | C7 | N7 | 179.0° | 180.0° |
C9 | C8 | C7 | C12 | 61.5° | 60.0° |
C8 | C9 | C10 | H8 | 60.9° | 60.0° |
C9 | C8 | C7 | H29 | 57.9° | 60.0° |
C9 | C8 | H30 | H31 | 119.6° | 120.0° |
C8 | C9 | N9 | H49 | 180.0° | 61.9° |
C8 | C9 | N9 | H50 | 60.0° | 174.1° |
C10 | C9 | C8 | C7 | 59.2° | 60.0° |
C9 | C10 | O1 | C11 | 120.7° | 120.0° |
C9 | C10 | O1 | H8 | 118.0° | 120.0° |
C9 | C10 | O1 | C1 | 161.6° | 114.7° |
C9 | C10 | C11 | H8 | 119.5° | 120.0° |
C9 | C10 | C11 | C12 | 60.6° | 60.0° |
C9 | C10 | C11 | O11 | 179.7° | 180.0° |
C9 | C10 | C11 | H9 | 59.2° | 60.0° |
C10 | C9 | C8 | H30 | 179.4° | 60.0° |
C10 | C9 | C8 | H31 | 60.9° | 180.0° |
C10 | C9 | N9 | H49 | 58.9° | 178.1° |
C10 | C9 | N9 | H50 | 61.1° | 54.1° |
C8 | C7 | N7 | C26 | 100.7° | 84.9° |
C8 | C7 | N7 | C12 | 116.7° | 120.0° |
C8 | C7 | N7 | H29 | 120.1° | 120.0° |
C8 | C7 | C12 | H29 | 119.3° | 120.0° |
C8 | C7 | C12 | C11 | 62.7° | 60.0° |
C8 | C7 | C12 | O12 | 179.4° | 180.0° |
C8 | C7 | C12 | H10 | 56.4° | 60.0° |
C7 | C8 | H30 | H31 | 119.6° | 120.0° |
C7 | C8 | C9 | H32 | 60.0° | 60.0° |
C8 | C7 | N7 | H48 | 79.3° | 95.0° |
O23 | C3 | C2 | H5 | 123.4° | 120.3° |
O23 | C3 | C2 | C1 | 177.8° | 176.8° |
O23 | C3 | C2 | N2 | 60.8° | 63.3° |
O23 | C3 | C4 | H1 | 63.4° | 63.2° |
O23 | C3 | C2 | H6 | 59.2° | 56.8° |
C3 | C2 | C1 | O5 | 56.6° | 57.6° |
C3 | C2 | C1 | O1 | 63.8° | 62.4° |
C3 | C2 | C1 | N2 | 122.7° | 119.9° |
C3 | C2 | C1 | H6 | 118.8° | 120.0° |
C3 | C2 | N2 | H6 | 119.8° | 120.2° |
C2 | C3 | C4 | H1 | 176.7° | 177.0° |
C3 | C2 | C1 | H7 | 175.1° | 177.6° |
C3 | C2 | N2 | H36 | 180.0° | 60.0° |
C3 | C2 | N2 | H37 | 60.0° | 63.9° |
C2 | C3 | O23 | H56 | 59.2° | 179.5° |
O5 | C1 | O1 | C10 | 83.4° | 87.8° |
O5 | C1 | O1 | C2 | 119.8° | 120.0° |
O5 | C1 | O1 | H7 | 120.6° | 120.0° |
O5 | C1 | C2 | H7 | 118.5° | 120.0° |
O5 | C1 | C2 | N2 | 179.3° | 177.5° |
C1 | O5 | C5 | H2 | 60.8° | 58.8° |
O5 | C1 | C2 | H6 | 62.2° | 62.3° |
O1 | C10 | C11 | H8 | 122.5° | 120.0° |
C10 | O1 | C1 | C2 | 156.8° | 152.2° |
O1 | C10 | C11 | C12 | 178.6° | 180.0° |
O1 | C10 | C11 | O11 | 61.7° | 60.1° |
C10 | O1 | C1 | H7 | 37.2° | 32.2° |
O1 | C10 | C11 | H9 | 58.8° | 60.0° |
O1 | C10 | C9 | H32 | 61.1° | 60.0° |
C1 | O1 | C10 | C11 | 77.8° | 125.3° |
O1 | C1 | C2 | H7 | 121.1° | 120.0° |
O1 | C1 | C2 | N2 | 58.9° | 57.5° |
O1 | C1 | C2 | H6 | 177.4° | 177.7° |
C1 | O1 | C10 | H8 | 43.6° | 5.2° |
O19 | C28 | C26 | O2 | 162.7° | 5.0° |
O19 | C28 | C26 | C24 | 120.0° | 120.0° |
O19 | C28 | C26 | H28 | 120.1° | 120.0° |
O19 | C28 | C24 | H28 | 123.3° | 120.0° |
O19 | C28 | C26 | N7 | 16.4° | 175.0° |
O19 | C28 | C24 | C27 | 106.8° | 65.0° |
O19 | C28 | C24 | H24 | 13.0° | 175.0° |
O19 | C28 | C24 | H25 | 133.4° | 55.0° |
C10 | C11 | C12 | C7 | 62.9° | 60.0° |
C10 | C11 | C12 | O11 | 116.7° | 120.0° |
C10 | C11 | C12 | H9 | 120.0° | 120.0° |
C10 | C11 | O11 | H9 | 119.5° | 120.1° |
C10 | C11 | C12 | O12 | 179.7° | 180.0° |
C10 | C11 | O11 | C13 | 149.6° | 150.0° |
C10 | C11 | C12 | H10 | 56.3° | 60.0° |
C11 | C10 | C9 | H32 | 60.7° | 60.0° |
O2 | C26 | C28 | N7 | 179.1° | 180.0° |
O2 | C26 | C28 | C24 | 77.3° | 115.0° |
O2 | C26 | N7 | C7 | 0.4° | 0.1° |
O2 | C26 | C28 | H28 | 42.6° | 125.0° |
O2 | C26 | N7 | H48 | 179.6° | 179.9° |
C26 | C28 | C24 | H28 | 117.3° | 120.0° |
C28 | C26 | N7 | C7 | 179.5° | 180.0° |
C26 | C28 | C24 | C27 | 133.8° | 175.0° |
C26 | C28 | C24 | H24 | 106.4° | 55.0° |
C26 | C28 | C24 | H25 | 14.0° | 65.0° |
C28 | C26 | N7 | H48 | 0.5° | 0.1° |
C26 | C28 | O19 | H55 | 180.0° | 60.0° |
C24 | C28 | C26 | N7 | 103.6° | 65.0° |
C28 | C24 | C27 | H24 | 119.8° | 119.9° |
C28 | C24 | C27 | H25 | 119.8° | 120.0° |
C28 | C24 | C27 | N3 | 117.6° | 180.0° |
C28 | C24 | H24 | H25 | 120.7° | 120.0° |
C28 | C24 | C27 | H26 | 119.6° | 60.0° |
C28 | C24 | C27 | H27 | 5.3° | 60.0° |
C24 | C28 | O19 | H55 | 62.7° | 60.0° |
C26 | N7 | C7 | H48 | 180.0° | 179.9° |
C26 | N7 | C7 | C12 | 142.6° | 155.0° |
N7 | C26 | C28 | H28 | 136.5° | 55.0° |
C26 | N7 | C7 | H29 | 19.4° | 35.1° |
C1 | C2 | N2 | H6 | 118.1° | 120.2° |
C1 | C2 | C3 | H5 | 58.8° | 62.9° |
C1 | C2 | N2 | H36 | 57.9° | 179.7° |
C1 | C2 | N2 | H37 | 177.9° | 55.8° |
N7 | C7 | C12 | H29 | 124.0° | 119.9° |
N7 | C7 | C12 | C11 | 179.3° | 179.9° |
N7 | C7 | C12 | O12 | 63.9° | 60.0° |
N7 | C7 | C12 | H10 | 60.2° | 60.1° |
N7 | C7 | C8 | H30 | 58.9° | 60.0° |
N7 | C7 | C8 | H31 | 60.8° | 60.0° |
C7 | C12 | C11 | O12 | 117.5° | 120.0° |
C7 | C12 | C11 | H10 | 119.2° | 120.0° |
C7 | C12 | C11 | O11 | 179.5° | 180.0° |
C7 | C12 | O12 | H10 | 122.3° | 120.0° |
C7 | C12 | C11 | H9 | 57.2° | 60.0° |
C12 | C7 | C8 | H30 | 178.4° | 60.0° |
C12 | C7 | C8 | H31 | 58.6° | 180.0° |
C12 | C7 | N7 | H48 | 37.4° | 25.1° |
C7 | C12 | O12 | H52 | 180.0° | 60.0° |
N2 | C2 | C3 | H5 | 62.6° | 57.0° |
N2 | C2 | C1 | H7 | 62.1° | 62.5° |
C2 | N2 | H36 | H37 | 120.0° | 123.9° |
C24 | C27 | N3 | H26 | 122.9° | 120.0° |
C24 | C27 | N3 | H27 | 122.8° | 119.9° |
C27 | C24 | H24 | H25 | 120.6° | 120.1° |
C24 | C27 | H26 | H27 | 110.1° | 120.0° |
C27 | C24 | C28 | H28 | 16.5° | 55.0° |
C24 | C27 | N3 | H42 | 180.0° | 180.0° |
C24 | C27 | N3 | H43 | 60.0° | 56.0° |
N3 | C27 | C24 | H24 | 2.2° | 60.1° |
N3 | C27 | C24 | H25 | 122.7° | 60.0° |
N3 | C27 | H26 | H27 | 110.1° | 120.0° |
C27 | N3 | H42 | H43 | 120.0° | 124.0° |
C12 | C11 | O11 | H9 | 122.2° | 120.0° |
C11 | C12 | O12 | H10 | 121.3° | 120.0° |
C12 | C11 | O11 | C13 | 92.2° | 90.1° |
C12 | C11 | C10 | H8 | 58.9° | 60.0° |
C11 | C12 | C7 | H29 | 56.7° | 60.0° |
C11 | C12 | O12 | H52 | 63.6° | 179.9° |
O11 | C11 | C12 | O12 | 63.0° | 60.0° |
C11 | O11 | C13 | O16 | 81.8° | 66.4° |
C11 | O11 | C13 | C14 | 155.5° | 178.2° |
O11 | C11 | C10 | H8 | 60.8° | 59.9° |
O11 | C11 | C12 | H10 | 60.3° | 60.0° |
C11 | O11 | C13 | H11 | 37.3° | 55.9° |
O12 | C12 | C11 | H9 | 60.3° | 60.0° |
O12 | C12 | C7 | H29 | 60.1° | 60.0° |
O11 | C13 | O16 | C14 | 128.3° | 118.9° |
O11 | C13 | O16 | H11 | 120.3° | 122.3° |
O11 | C13 | C14 | H11 | 120.1° | 122.2° |
O11 | C13 | O16 | C16 | 130.2° | 159.4° |
O11 | C13 | C14 | O14 | 91.1° | 98.5° |
O11 | C13 | C14 | C15 | 152.7° | 142.8° |
C13 | O11 | C11 | H9 | 30.0° | 29.9° |
O11 | C13 | C14 | H12 | 34.5° | 24.1° |
O16 | C13 | C14 | H11 | 112.1° | 118.9° |
C13 | O16 | C16 | C17 | 107.4° | 159.4° |
O16 | C13 | C14 | O14 | 141.1° | 142.6° |
O16 | C13 | C14 | C15 | 24.9° | 24.0° |
C13 | O16 | C16 | C15 | 20.6° | 40.5° |
O16 | C13 | C14 | H12 | 93.3° | 94.8° |
C13 | O16 | C16 | H14 | 131.2° | 78.3° |
C14 | C13 | O16 | C16 | 2.0° | 40.5° |
C13 | C14 | O14 | C15 | 107.4° | 114.6° |
C13 | C14 | O14 | H12 | 124.0° | 122.7° |
C13 | C14 | C15 | H12 | 117.2° | 118.7° |
C13 | C14 | C15 | C16 | 38.9° | 0.0° |
C13 | C14 | C15 | O18 | 82.5° | 118.6° |
C13 | C14 | C15 | H13 | 158.2° | 118.8° |
C13 | C14 | O14 | H53 | 180.0° | 61.5° |
O16 | C16 | C17 | O17 | 87.4° | 69.6° |
O16 | C16 | C17 | C15 | 117.7° | 115.4° |
O16 | C16 | C17 | H14 | 122.3° | 122.3° |
O16 | C16 | C15 | C14 | 38.1° | 24.0° |
O16 | C16 | C15 | H14 | 112.1° | 118.8° |
O16 | C16 | C15 | O18 | 79.3° | 142.6° |
C16 | O16 | C13 | H11 | 109.5° | 78.4° |
O16 | C16 | C15 | H13 | 158.2° | 94.8° |
O16 | C16 | C17 | H15 | 32.1° | 170.4° |
O16 | C16 | C17 | H16 | 153.1° | 50.5° |
O17 | C17 | C16 | H15 | 119.5° | 120.0° |
O17 | C17 | C16 | H16 | 119.5° | 120.1° |
O17 | C17 | C16 | C15 | 154.9° | 175.0° |
O17 | C17 | C16 | H14 | 34.8° | 52.7° |
O17 | C17 | H15 | H16 | 121.5° | 120.1° |
C17 | C16 | C15 | C14 | 89.5° | 142.9° |
C17 | C16 | C15 | H14 | 120.3° | 122.3° |
C17 | C16 | C15 | O18 | 153.1° | 98.5° |
C17 | C16 | C15 | H13 | 30.6° | 24.2° |
C16 | C17 | H15 | H16 | 121.5° | 119.9° |
C16 | C17 | O17 | H54 | 180.0° | 180.0° |
O14 | C14 | C15 | H12 | 129.4° | 122.6° |
O14 | C14 | C15 | C16 | 152.4° | 118.6° |
O14 | C14 | C15 | O18 | 30.9° | 0.0° |
O14 | C14 | C13 | H11 | 29.0° | 23.7° |
O14 | C14 | C15 | H13 | 88.3° | 122.6° |
C14 | C15 | C16 | O18 | 117.4° | 118.6° |
C14 | C15 | C16 | H13 | 120.1° | 118.8° |
C14 | C15 | O18 | H13 | 119.5° | 122.7° |
C14 | C15 | O18 | C18 | 145.9° | 91.5° |
C15 | C14 | C13 | H11 | 87.2° | 94.9° |
C14 | C15 | C16 | H14 | 150.3° | 94.8° |
C15 | C14 | O14 | H53 | 72.7° | 176.1° |
C16 | C15 | O18 | H13 | 122.1° | 122.7° |
C16 | C15 | O18 | C18 | 95.7° | 153.9° |
C16 | C15 | C14 | H12 | 78.3° | 118.7° |
C15 | C16 | C17 | H15 | 85.6° | 55.0° |
C15 | C16 | C17 | H16 | 35.4° | 64.9° |
C15 | O18 | C18 | O22 | 57.0° | 70.0° |
C15 | O18 | C18 | C19 | 179.7° | 170.0° |
O18 | C15 | C14 | H12 | 160.3° | 122.7° |
O18 | C15 | C16 | H14 | 32.9° | 23.8° |
C15 | O18 | C18 | H17 | 61.7° | 50.0° |
O18 | C18 | O22 | C19 | 125.0° | 120.0° |
O18 | C18 | O22 | H17 | 120.1° | 120.0° |
O18 | C18 | C19 | H17 | 119.7° | 120.0° |
O18 | C18 | O22 | C22 | 179.6° | 178.9° |
O18 | C18 | C19 | N23 | 59.5° | 57.8° |
O18 | C18 | C19 | C20 | 178.0° | 177.6° |
C18 | O18 | C15 | H13 | 26.4° | 31.2° |
O18 | C18 | C19 | H18 | 62.9° | 62.5° |
O22 | C18 | C19 | H17 | 114.4° | 120.0° |
O22 | C18 | C19 | N23 | 66.4° | 62.3° |
O22 | C18 | C19 | C20 | 52.1° | 57.6° |
C18 | O22 | C22 | C23 | 179.1° | 178.9° |
C18 | O22 | C22 | C21 | 57.9° | 61.1° |
O22 | C18 | C19 | H18 | 171.2° | 177.5° |
C18 | O22 | C22 | H21 | 61.7° | 58.9° |
C19 | C18 | O22 | C22 | 55.4° | 61.1° |
C18 | C19 | N23 | C20 | 119.3° | 119.6° |
C18 | C19 | N23 | H18 | 121.6° | 120.2° |
C18 | C19 | C20 | H18 | 119.7° | 119.9° |
C18 | C19 | C20 | C21 | 56.9° | 56.9° |
C18 | C19 | C20 | O25 | 61.4° | 62.9° |
C18 | C19 | C20 | H19 | 175.3° | 176.8° |
C18 | C19 | N23 | H39 | 180.0° | 60.0° |
C18 | C19 | N23 | H40 | 60.0° | 176.0° |
O22 | C22 | C23 | N19 | 13.2° | 60.0° |
O22 | C22 | C23 | C21 | 123.1° | 120.0° |
O22 | C22 | C23 | H21 | 118.0° | 120.0° |
O22 | C22 | C21 | H21 | 119.0° | 120.0° |
O22 | C22 | C21 | O24 | 62.8° | 62.4° |
O22 | C22 | C21 | C20 | 55.1° | 57.6° |
C22 | O22 | C18 | H17 | 59.5° | 58.9° |
O22 | C22 | C21 | H20 | 172.0° | 177.5° |
O22 | C22 | C23 | H22 | 107.5° | 60.0° |
O22 | C22 | C23 | H23 | 133.8° | 180.0° |
N19 | C23 | C22 | H22 | 120.7° | 120.0° |
N19 | C23 | C22 | H23 | 120.7° | 120.0° |
N19 | C23 | C22 | C21 | 109.9° | 180.0° |
N19 | C23 | C22 | H21 | 131.1° | 60.0° |
N19 | C23 | H22 | H23 | 118.0° | 119.9° |
C23 | N19 | H33 | H34 | 120.0° | 124.0° |
N23 | C19 | C20 | H18 | 120.5° | 120.2° |
N23 | C19 | C20 | C21 | 62.9° | 62.9° |
N23 | C19 | C20 | O25 | 178.8° | 177.2° |
N23 | C19 | C18 | H17 | 179.1° | 177.7° |
N23 | C19 | C20 | H19 | 55.5° | 57.0° |
C19 | N23 | H39 | H40 | 120.0° | 123.9° |
C19 | C20 | C21 | C22 | 57.5° | 57.0° |
C19 | C20 | C21 | O24 | 60.7° | 63.0° |
C19 | C20 | C21 | O25 | 119.1° | 119.8° |
C19 | C20 | C21 | H19 | 118.4° | 119.9° |
C19 | C20 | O25 | H19 | 119.1° | 120.2° |
C20 | C19 | C18 | H17 | 62.3° | 62.4° |
C19 | C20 | C21 | H20 | 175.4° | 176.9° |
C20 | C19 | N23 | H39 | 60.6° | 179.6° |
C20 | C19 | N23 | H40 | 59.4° | 56.4° |
C19 | C20 | O25 | H58 | 180.0° | 180.0° |
C23 | C22 | C21 | H21 | 117.8° | 120.0° |
C23 | C22 | C21 | O24 | 60.4° | 57.7° |
C23 | C22 | C21 | C20 | 178.3° | 177.6° |
C23 | C22 | C21 | H20 | 64.8° | 62.5° |
C22 | C23 | H22 | H23 | 118.0° | 120.1° |
C22 | C23 | N19 | H33 | 180.0° | 56.0° |
C22 | C23 | N19 | H34 | 60.0° | 179.9° |
C22 | C21 | O24 | C20 | 118.2° | 119.7° |
C22 | C21 | O24 | H20 | 122.1° | 120.2° |
C22 | C21 | C20 | H20 | 117.9° | 119.9° |
C22 | C21 | C20 | O25 | 61.6° | 62.9° |
C22 | C21 | C20 | H19 | 175.9° | 176.8° |
C21 | C22 | C23 | H22 | 129.4° | 60.0° |
C21 | C22 | C23 | H23 | 10.7° | 60.0° |
C22 | C21 | O24 | H57 | 180.0° | 179.7° |
O24 | C21 | C20 | H20 | 123.9° | 120.1° |
O24 | C21 | C20 | O25 | 179.8° | 177.1° |
O24 | C21 | C20 | H19 | 57.7° | 56.9° |
O24 | C21 | C22 | H21 | 178.2° | 177.7° |
C21 | C20 | O25 | H19 | 118.3° | 120.2° |
C21 | C20 | C19 | H18 | 176.6° | 176.9° |
C20 | C21 | C22 | H21 | 63.9° | 62.4° |
C20 | C21 | O24 | H57 | 61.8° | 60.0° |
C21 | C20 | O25 | H58 | 57.3° | 60.4° |
O25 | C20 | C19 | H18 | 58.2° | 57.0° |
O25 | C20 | C21 | H20 | 56.3° | 57.1° |
H1 | C4 | C5 | H2 | 56.6° | 57.6° |
H1 | C4 | C3 | H5 | 60.1° | 57.0° |
H2 | C5 | C6 | H3 | 177.7° | 66.3° |
H2 | C5 | C6 | H4 | 59.0° | 173.8° |
H3 | C6 | N6 | H45 | 59.4° | 53.7° |
H3 | C6 | N6 | H46 | 60.6° | 70.3° |
H4 | C6 | N6 | H45 | 59.3° | 173.7° |
H4 | C6 | N6 | H46 | 179.3° | 49.7° |
H5 | C3 | C2 | H6 | 177.4° | 177.1° |
H5 | C3 | O23 | H56 | 60.3° | 60.2° |
H6 | C2 | C1 | H7 | 56.3° | 57.7° |
H6 | C2 | N2 | H36 | 60.2° | 60.1° |
H6 | C2 | N2 | H37 | 59.8° | 176.0° |
H8 | C10 | C11 | H9 | 178.7° | 180.0° |
H8 | C10 | C9 | H32 | 179.9° | 180.0° |
H9 | C11 | C12 | H10 | 176.4° | 180.0° |
H10 | C12 | C7 | H29 | 175.8° | 180.0° |
H10 | C12 | O12 | H52 | 57.7° | 60.1° |
H11 | C13 | C14 | H12 | 154.6° | 146.3° |
H12 | C14 | C15 | H13 | 41.1° | 0.1° |
H12 | C14 | O14 | H53 | 56.0° | 61.2° |
H13 | C15 | C16 | H14 | 89.6° | 146.5° |
H14 | C16 | C17 | H15 | 154.3° | 67.3° |
H14 | C16 | C17 | H16 | 84.7° | 172.8° |
H15 | C17 | O17 | H54 | 60.5° | 60.1° |
H16 | C17 | O17 | H54 | 60.5° | 59.9° |
H17 | C18 | C19 | H18 | 56.7° | 57.5° |
H18 | C19 | C20 | H19 | 65.0° | 63.2° |
H18 | C19 | N23 | H39 | 58.4° | 60.2° |
H18 | C19 | N23 | H40 | 178.4° | 63.8° |
H19 | C20 | C21 | H20 | 66.2° | 63.2° |
H19 | C20 | O25 | H58 | 60.9° | 59.8° |
H20 | C21 | C22 | H21 | 53.0° | 57.5° |
H20 | C21 | O24 | H57 | 57.9° | 60.1° |
H21 | C22 | C23 | H22 | 10.5° | 180.0° |
H21 | C22 | C23 | H23 | 108.2° | 60.0° |
H22 | C23 | N19 | H33 | 59.3° | 64.0° |
H22 | C23 | N19 | H34 | 60.6° | 59.9° |
H23 | C23 | N19 | H33 | 59.4° | 176.1° |
H23 | C23 | N19 | H34 | 179.3° | 60.0° |
H24 | C24 | C27 | H26 | 120.6° | 59.9° |
H24 | C24 | C27 | H27 | 125.1° | 180.0° |
H24 | C24 | C28 | H28 | 136.3° | 65.0° |
H25 | C24 | C27 | H26 | 0.2° | 180.0° |
H25 | C24 | C27 | H27 | 114.5° | 59.9° |
H25 | C24 | C28 | H28 | 103.3° | 175.0° |
H26 | C27 | N3 | H42 | 57.2° | 60.0° |
H26 | C27 | N3 | H43 | 177.2° | 176.0° |
H27 | C27 | N3 | H42 | 57.2° | 60.1° |
H27 | C27 | N3 | H43 | 62.8° | 63.9° |
H28 | C28 | O19 | H55 | 61.4° | 180.0° |
H29 | C7 | C8 | H30 | 62.2° | 180.0° |
H29 | C7 | C8 | H31 | 178.0° | 60.0° |
H29 | C7 | N7 | H48 | 160.6° | 145.1° |
H30 | C8 | C9 | H32 | 60.1° | 180.0° |
H31 | C8 | C9 | H32 | 179.9° | 60.0° |
H32 | C9 | N9 | H49 | 60.0° | 58.0° |
H32 | C9 | N9 | H50 | 179.9° | 66.0° |