KZA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S36 | P35 | sing | 2.12Å | 2.06Å | |
| O36 | P35 | doub | 1.48Å | 1.46Å | |
| P35 | O35 | sing | 1.61Å | 1.59Å | |
| P35 | O23 | sing | 1.61Å | 1.59Å | |
| C36 | C31 | sing | 1.53Å | 1.54Å | |
| C36 | C34 | sing | 1.53Å | 1.55Å | |
| O35 | C35 | sing | 1.43Å | 1.44Å | |
| C18 | N17 | doub | 1.30Å | 1.32Å | Aromatic |
| C18 | N19 | sing | 1.36Å | 1.38Å | Aromatic |
| N17 | C15 | sing | 1.35Å | 1.38Å | Aromatic |
| C35 | C34 | sing | 1.53Å | 1.51Å | |
| N19 | C31 | sing | 1.46Å | 1.48Å | |
| N19 | C14 | sing | 1.37Å | 1.37Å | Aromatic |
| C15 | C16 | doub | 1.40Å | 1.40Å | Aromatic |
| C15 | C14 | sing | 1.41Å | 1.38Å | Aromatic |
| N16 | C16 | sing | 1.38Å | 1.34Å | |
| C31 | C32 | sing | 1.53Å | 1.53Å | |
| C34 | C33 | sing | 1.53Å | 1.53Å | |
| C16 | N11 | sing | 1.33Å | 1.35Å | Aromatic |
| C14 | N13 | doub | 1.33Å | 1.34Å | Aromatic |
| O23 | C23 | sing | 1.43Å | 1.42Å | |
| N11 | C12 | doub | 1.32Å | 1.34Å | Aromatic |
| N13 | C12 | sing | 1.32Å | 1.34Å | Aromatic |
| F22 | C22 | sing | 1.40Å | 1.39Å | |
| C32 | C33 | sing | 1.53Å | 1.52Å | |
| C32 | F32 | sing | 1.40Å | 1.39Å | |
| C33 | O33 | sing | 1.43Å | 1.42Å | |
| C23 | C22 | sing | 1.54Å | 1.53Å | |
| C23 | C24 | sing | 1.54Å | 1.53Å | |
| C22 | C21 | sing | 1.54Å | 1.54Å | |
| C2 | N3 | doub | 1.32Å | 1.34Å | Aromatic |
| C2 | N1 | sing | 1.32Å | 1.34Å | Aromatic |
| N3 | C4 | sing | 1.33Å | 1.34Å | Aromatic |
| N1 | C6 | doub | 1.33Å | 1.35Å | Aromatic |
| O33 | P25 | sing | 1.61Å | 1.59Å | |
| C4 | C5 | doub | 1.40Å | 1.37Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.37Å | Aromatic |
| C24 | C25 | sing | 1.53Å | 1.50Å | |
| C24 | O24 | sing | 1.42Å | 1.46Å | |
| C6 | C5 | sing | 1.41Å | 1.40Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.34Å | |
| C21 | N9 | sing | 1.46Å | 1.46Å | |
| C21 | O24 | sing | 1.43Å | 1.43Å | |
| C5 | N7 | sing | 1.35Å | 1.38Å | Aromatic |
| N9 | C8 | sing | 1.36Å | 1.37Å | Aromatic |
| C25 | O25 | sing | 1.43Å | 1.43Å | |
| O25 | P25 | sing | 1.61Å | 1.59Å | |
| C8 | N7 | doub | 1.30Å | 1.32Å | Aromatic |
| P25 | O26 | doub | 1.48Å | 1.46Å | |
| P25 | S26 | sing | 2.12Å | 2.06Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| N16 | H2 | sing | 0.97Å | 1.00Å | |
| N16 | H3 | sing | 0.97Å | 1.00Å | |
| C18 | H4 | sing | 1.08Å | 1.08Å | |
| C21 | H5 | sing | 1.09Å | 1.10Å | |
| C22 | H6 | sing | 1.09Å | 1.10Å | |
| C23 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C25 | H9 | sing | 1.09Å | 1.10Å | |
| C25 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.08Å | 1.08Å | |
| C31 | H12 | sing | 1.09Å | 1.10Å | |
| C32 | H13 | sing | 1.09Å | 1.10Å | |
| C33 | H14 | sing | 1.09Å | 1.10Å | |
| C34 | H15 | sing | 1.09Å | 1.10Å | |
| C35 | H16 | sing | 1.09Å | 1.10Å | |
| C35 | H17 | sing | 1.09Å | 1.10Å | |
| C36 | H18 | sing | 1.09Å | 1.10Å | |
| C36 | H19 | sing | 1.09Å | 1.10Å | |
| C8 | H20 | sing | 1.08Å | 1.08Å | |
| N6 | H21 | sing | 0.97Å | 1.00Å | |
| N6 | H22 | sing | 0.97Å | 1.00Å | |
| S26 | H23 | sing | 1.34Å | 1.30Å | |
| S36 | H24 | sing | 1.35Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| S36 | P35 | O36 | 113.9° | 109.5° |
| S36 | P35 | O35 | 109.6° | 109.5° |
| S36 | P35 | O23 | 108.3° | 109.5° |
| P35 | S36 | H24 | 102.0° | 103.0° |
| O36 | P35 | O35 | 109.1° | 109.5° |
| O36 | P35 | O23 | 109.6° | 109.5° |
| O35 | P35 | O23 | 106.1° | 109.5° |
| P35 | O35 | C35 | 121.3° | 123.0° |
| P35 | O23 | C23 | 118.9° | 123.0° |
| C31 | C36 | C34 | 105.3° | 107.7° |
| C36 | C31 | N19 | 113.3° | 109.7° |
| C36 | C31 | C32 | 104.7° | 108.1° |
| C36 | C31 | H12 | 108.2° | 109.7° |
| C31 | C36 | H18 | 110.5° | 109.8° |
| C31 | C36 | H19 | 110.5° | 109.8° |
| C36 | C34 | C35 | 112.4° | 109.8° |
| C36 | C34 | C33 | 104.2° | 107.8° |
| C36 | C34 | H15 | 107.9° | 109.7° |
| C34 | C36 | H18 | 110.5° | 109.8° |
| C34 | C36 | H19 | 110.5° | 109.8° |
| O35 | C35 | C34 | 110.9° | 109.5° |
| O35 | C35 | H16 | 109.1° | 109.5° |
| O35 | C35 | H17 | 109.1° | 109.4° |
| N17 | C18 | N19 | 112.9° | 110.0° |
| C18 | N17 | C15 | 104.0° | 109.4° |
| N17 | C18 | H4 | 123.6° | 125.0° |
| C18 | N19 | C31 | 127.4° | 126.3° |
| C18 | N19 | C14 | 106.1° | 107.4° |
| N19 | C18 | H4 | 123.5° | 125.0° |
| N17 | C15 | C16 | 133.2° | 134.7° |
| N17 | C15 | C14 | 111.1° | 107.1° |
| C35 | C34 | C33 | 115.6° | 109.8° |
| C35 | C34 | H15 | 108.3° | 109.9° |
| C34 | C35 | H16 | 109.1° | 109.5° |
| C34 | C35 | H17 | 109.1° | 109.4° |
| C31 | N19 | C14 | 126.4° | 126.3° |
| N19 | C31 | C32 | 113.0° | 109.7° |
| N19 | C31 | H12 | 109.0° | 109.8° |
| N19 | C14 | C15 | 105.8° | 106.0° |
| N19 | C14 | N13 | 127.5° | 135.0° |
| C16 | C15 | C14 | 115.7° | 118.2° |
| C15 | C16 | N16 | 121.0° | 120.8° |
| C15 | C16 | N11 | 119.8° | 118.5° |
| C15 | C14 | N13 | 126.6° | 119.0° |
| N16 | C16 | N11 | 119.2° | 120.8° |
| C16 | N16 | H2 | 109.5° | 120.0° |
| C16 | N16 | H3 | 109.4° | 120.0° |
| C31 | C32 | C33 | 101.2° | 107.8° |
| C31 | C32 | F32 | 110.3° | 109.8° |
| C32 | C31 | H12 | 108.3° | 109.7° |
| C31 | C32 | H13 | 110.4° | 109.8° |
| C34 | C33 | C32 | 101.9° | 107.8° |
| C34 | C33 | O33 | 111.5° | 109.9° |
| C34 | C33 | H14 | 110.2° | 109.7° |
| C33 | C34 | H15 | 108.1° | 109.8° |
| C16 | N11 | C12 | 118.5° | 121.2° |
| C14 | N13 | C12 | 112.8° | 120.7° |
| O23 | C23 | C22 | 111.1° | 110.4° |
| O23 | C23 | C24 | 113.6° | 110.4° |
| O23 | C23 | H7 | 111.6° | 110.2° |
| N11 | C12 | N13 | 126.6° | 122.4° |
| N11 | C12 | H11 | 116.7° | 118.8° |
| N13 | C12 | H11 | 116.7° | 118.8° |
| F22 | C22 | C23 | 110.8° | 110.6° |
| F22 | C22 | C21 | 110.2° | 110.5° |
| F22 | C22 | H6 | 112.6° | 110.4° |
| C33 | C32 | F32 | 111.0° | 109.8° |
| C32 | C33 | O33 | 110.6° | 109.8° |
| C33 | C32 | H13 | 110.6° | 109.9° |
| C32 | C33 | H14 | 110.4° | 109.7° |
| F32 | C32 | H13 | 112.7° | 109.8° |
| C33 | O33 | P25 | 119.3° | 123.0° |
| O33 | C33 | H14 | 111.9° | 109.9° |
| C22 | C23 | C24 | 100.2° | 105.1° |
| C23 | C22 | C21 | 102.0° | 104.3° |
| C23 | C22 | H6 | 110.5° | 110.5° |
| C22 | C23 | H7 | 109.9° | 110.3° |
| C23 | C24 | C25 | 116.5° | 109.8° |
| C23 | C24 | O24 | 104.2° | 108.1° |
| C24 | C23 | H7 | 109.9° | 110.3° |
| C23 | C24 | H8 | 108.0° | 109.6° |
| C22 | C21 | N9 | 113.8° | 109.9° |
| C22 | C21 | O24 | 105.5° | 107.4° |
| C22 | C21 | H5 | 108.8° | 109.9° |
| C21 | C22 | H6 | 110.4° | 110.4° |
| N3 | C2 | N1 | 126.6° | 122.5° |
| C2 | N3 | C4 | 112.8° | 120.7° |
| N3 | C2 | H1 | 116.7° | 118.8° |
| C2 | N1 | C6 | 118.5° | 121.2° |
| N1 | C2 | H1 | 116.7° | 118.7° |
| N3 | C4 | C5 | 126.6° | 119.1° |
| N3 | C4 | N9 | 127.7° | 134.9° |
| N1 | C6 | C5 | 119.7° | 118.4° |
| N1 | C6 | N6 | 119.2° | 120.8° |
| O33 | P25 | O25 | 105.6° | 109.5° |
| O33 | P25 | O26 | 109.8° | 109.4° |
| O33 | P25 | S26 | 108.6° | 109.4° |
| C5 | C4 | N9 | 105.8° | 106.0° |
| C4 | C5 | C6 | 115.8° | 118.2° |
| C4 | C5 | N7 | 111.0° | 107.2° |
| C4 | N9 | C21 | 126.4° | 126.2° |
| C4 | N9 | C8 | 106.3° | 107.4° |
| C25 | C24 | O24 | 110.6° | 110.0° |
| C24 | C25 | O25 | 109.9° | 109.4° |
| C25 | C24 | H8 | 108.3° | 109.4° |
| C24 | C25 | H9 | 109.4° | 109.4° |
| C24 | C25 | H10 | 109.3° | 109.5° |
| C24 | O24 | C21 | 110.1° | 111.4° |
| O24 | C24 | H8 | 108.9° | 109.9° |
| C5 | C6 | N6 | 121.1° | 120.8° |
| C6 | C5 | N7 | 133.2° | 134.7° |
| C6 | N6 | H21 | 109.5° | 120.0° |
| C6 | N6 | H22 | 109.4° | 120.0° |
| N9 | C21 | O24 | 108.6° | 109.8° |
| C21 | N9 | C8 | 127.1° | 126.3° |
| N9 | C21 | H5 | 109.8° | 109.9° |
| O24 | C21 | H5 | 110.3° | 109.9° |
| C5 | N7 | C8 | 104.0° | 109.4° |
| N9 | C8 | N7 | 112.9° | 110.0° |
| N9 | C8 | H20 | 123.5° | 125.0° |
| C25 | O25 | P25 | 120.0° | 123.0° |
| O25 | C25 | H9 | 109.4° | 109.4° |
| O25 | C25 | H10 | 109.4° | 109.5° |
| O25 | P25 | O26 | 109.1° | 109.5° |
| O25 | P25 | S26 | 109.5° | 109.5° |
| N7 | C8 | H20 | 123.6° | 125.0° |
| O26 | P25 | S26 | 114.0° | 109.5° |
| P25 | S26 | H23 | 102.0° | 103.0° |
| H2 | N16 | H3 | 109.5° | 120.0° |
| H9 | C25 | H10 | 109.5° | 109.5° |
| H16 | C35 | H17 | 109.5° | 109.5° |
| H18 | C36 | H19 | 109.5° | 109.8° |
| H21 | N6 | H22 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S36 | P35 | O36 | O35 | 122.8° | 120.0° |
| S36 | P35 | O36 | O23 | 121.5° | 120.0° |
| S36 | P35 | O35 | O23 | 116.7° | 120.0° |
| S36 | P35 | O35 | C35 | 62.7° | 110.0° |
| S36 | P35 | O23 | C23 | 168.4° | 132.4° |
| O36 | P35 | O35 | O23 | 118.0° | 120.0° |
| O36 | P35 | O35 | C35 | 172.0° | 10.0° |
| O36 | P35 | O23 | C23 | 43.5° | 12.4° |
| O36 | P35 | S36 | H24 | 0.0° | 60.0° |
| P35 | O35 | C35 | C34 | 164.1° | 151.6° |
| O35 | P35 | O23 | C23 | 74.1° | 107.6° |
| P35 | O35 | C35 | H16 | 43.9° | 31.6° |
| P35 | O35 | C35 | H17 | 75.7° | 88.5° |
| O35 | P35 | S36 | H24 | 122.5° | 60.0° |
| O23 | P35 | O35 | C35 | 54.1° | 130.0° |
| P35 | O23 | C23 | C22 | 91.7° | 121.5° |
| P35 | O23 | C23 | C24 | 156.3° | 122.7° |
| P35 | O23 | C23 | H7 | 31.3° | 0.5° |
| O23 | P35 | S36 | H24 | 122.2° | 180.0° |
| C31 | C36 | C34 | H18 | 119.4° | 119.5° |
| C31 | C36 | C34 | H19 | 119.4° | 119.6° |
| C36 | C31 | N19 | C18 | 17.3° | 60.2° |
| C31 | C36 | C34 | C35 | 141.0° | 126.9° |
| C36 | C31 | N19 | C32 | 119.0° | 118.7° |
| C36 | C31 | N19 | H12 | 120.6° | 120.7° |
| C36 | C31 | N19 | C14 | 167.1° | 120.0° |
| C36 | C31 | C32 | H12 | 115.3° | 119.7° |
| C31 | C36 | C34 | C33 | 15.1° | 7.2° |
| C36 | C31 | C32 | C33 | 38.2° | 2.8° |
| C36 | C31 | C32 | F32 | 79.3° | 116.7° |
| C36 | C31 | C32 | H13 | 155.5° | 122.4° |
| C31 | C36 | C34 | H15 | 99.7° | 112.3° |
| C31 | C36 | H18 | H19 | 121.9° | 120.9° |
| C36 | C34 | C35 | O35 | 52.5° | 124.4° |
| C36 | C34 | C35 | C33 | 119.4° | 118.4° |
| C36 | C34 | C35 | H15 | 119.2° | 120.7° |
| C34 | C36 | C31 | N19 | 109.4° | 122.4° |
| C34 | C36 | C31 | C32 | 14.3° | 2.8° |
| C36 | C34 | C33 | H15 | 114.6° | 119.4° |
| C36 | C34 | C33 | C32 | 39.0° | 8.9° |
| C36 | C34 | C33 | O33 | 156.9° | 128.6° |
| C34 | C36 | C31 | H12 | 129.6° | 116.9° |
| C36 | C34 | C33 | H14 | 78.2° | 110.5° |
| C36 | C34 | C35 | H16 | 172.7° | 115.5° |
| C36 | C34 | C35 | H17 | 67.7° | 4.5° |
| C34 | C36 | H18 | H19 | 121.9° | 120.9° |
| O35 | C35 | C34 | H16 | 120.2° | 120.0° |
| O35 | C35 | C34 | H17 | 120.2° | 119.9° |
| O35 | C35 | C34 | C33 | 66.9° | 117.1° |
| O35 | C35 | C34 | H15 | 171.7° | 3.7° |
| O35 | C35 | H16 | H17 | 119.3° | 120.0° |
| N17 | C18 | N19 | H4 | 180.0° | 179.7° |
| N17 | C18 | N19 | C31 | 178.1° | 180.0° |
| N17 | C18 | N19 | C14 | 1.8° | 0.1° |
| C18 | N17 | C15 | C16 | 179.8° | 180.0° |
| C18 | N17 | C15 | C14 | 0.1° | 0.2° |
| N19 | C18 | N17 | C15 | 1.2° | 0.2° |
| C18 | N19 | C31 | C14 | 175.6° | 179.8° |
| C18 | N19 | C14 | C15 | 1.6° | 0.0° |
| C18 | N19 | C31 | C32 | 101.7° | 58.5° |
| C18 | N19 | C14 | N13 | 179.4° | 179.9° |
| C18 | N19 | C31 | H12 | 137.8° | 179.1° |
| N17 | C15 | C14 | N19 | 1.0° | 0.2° |
| N17 | C15 | C16 | C14 | 179.9° | 179.7° |
| N17 | C15 | C16 | N16 | 0.1° | 0.3° |
| N17 | C15 | C16 | N11 | 180.0° | 179.7° |
| N17 | C15 | C14 | N13 | 180.0° | 179.8° |
| C15 | N17 | C18 | H4 | 178.9° | 180.0° |
| C35 | C34 | C33 | H15 | 121.5° | 120.9° |
| C35 | C34 | C33 | C32 | 162.8° | 128.6° |
| C35 | C34 | C33 | O33 | 79.2° | 111.7° |
| C35 | C34 | C33 | H14 | 45.6° | 9.2° |
| C34 | C35 | H16 | H17 | 119.3° | 120.0° |
| C35 | C34 | C36 | H18 | 21.6° | 7.4° |
| C35 | C34 | C36 | H19 | 99.6° | 113.5° |
| C31 | N19 | C14 | C15 | 178.0° | 179.8° |
| N19 | C31 | C32 | H12 | 120.9° | 120.7° |
| C31 | N19 | C14 | N13 | 3.1° | 0.2° |
| N19 | C31 | C32 | C33 | 85.6° | 116.9° |
| N19 | C31 | C32 | F32 | 156.9° | 123.6° |
| C31 | N19 | C18 | H4 | 1.9° | 0.3° |
| N19 | C31 | C32 | H13 | 31.7° | 2.8° |
| N19 | C31 | C36 | H18 | 10.0° | 2.9° |
| N19 | C31 | C36 | H19 | 131.3° | 118.0° |
| N19 | C14 | C15 | C16 | 179.1° | 180.0° |
| N19 | C14 | C15 | N13 | 179.0° | 180.0° |
| C14 | N19 | C31 | C32 | 73.9° | 121.4° |
| N19 | C14 | N13 | C12 | 178.9° | 180.0° |
| C14 | N19 | C18 | H4 | 178.2° | 179.9° |
| C14 | N19 | C31 | H12 | 46.6° | 0.7° |
| C15 | C16 | N16 | N11 | 179.9° | 180.0° |
| C16 | C15 | C14 | N13 | 0.1° | 0.0° |
| C15 | C16 | N11 | C12 | 0.0° | 0.0° |
| C15 | C16 | N16 | H2 | 179.9° | 0.0° |
| C15 | C16 | N16 | H3 | 59.9° | 180.0° |
| C14 | C15 | C16 | N16 | 180.0° | 180.0° |
| C14 | C15 | C16 | N11 | 0.1° | 0.0° |
| C15 | C14 | N13 | C12 | 0.1° | 0.0° |
| N16 | C16 | N11 | C12 | 179.9° | 180.0° |
| C16 | N16 | H2 | H3 | 120.0° | 180.0° |
| C31 | C32 | C33 | C34 | 47.7° | 7.2° |
| C31 | C32 | C33 | F32 | 117.1° | 119.5° |
| C31 | C32 | C33 | H13 | 117.1° | 119.6° |
| C31 | C32 | F32 | H13 | 123.9° | 120.8° |
| C31 | C32 | C33 | O33 | 166.3° | 126.9° |
| C31 | C32 | C33 | H14 | 69.4° | 112.2° |
| C32 | C31 | C36 | H18 | 133.6° | 116.8° |
| C32 | C31 | C36 | H19 | 105.1° | 122.4° |
| C34 | C33 | C32 | O33 | 118.6° | 119.7° |
| C34 | C33 | C32 | H14 | 117.1° | 119.5° |
| C34 | C33 | C32 | F32 | 69.4° | 112.3° |
| C34 | C33 | O33 | H14 | 123.9° | 120.8° |
| C34 | C33 | O33 | P25 | 157.6° | 124.7° |
| C34 | C33 | C32 | H13 | 164.8° | 126.9° |
| C33 | C34 | C35 | H16 | 53.3° | 2.9° |
| C33 | C34 | C35 | H17 | 172.9° | 122.9° |
| C33 | C34 | C36 | H18 | 104.3° | 112.3° |
| C33 | C34 | C36 | H19 | 134.5° | 126.8° |
| C16 | N11 | C12 | N13 | 0.0° | 0.0° |
| N11 | C16 | N16 | H2 | 0.0° | 180.0° |
| N11 | C16 | N16 | H3 | 120.0° | 0.1° |
| C16 | N11 | C12 | H11 | 180.0° | 179.9° |
| C14 | N13 | C12 | N11 | 0.1° | 0.0° |
| C14 | N13 | C12 | H11 | 179.9° | 180.0° |
| O23 | C23 | C22 | F22 | 44.1° | 16.3° |
| O23 | C23 | C22 | C24 | 120.4° | 119.1° |
| O23 | C23 | C22 | H7 | 124.0° | 122.0° |
| O23 | C23 | C24 | H7 | 125.8° | 122.1° |
| O23 | C23 | C22 | C21 | 161.3° | 135.1° |
| O23 | C23 | C24 | C25 | 81.5° | 113.7° |
| O23 | C23 | C24 | O24 | 156.3° | 126.3° |
| O23 | C23 | C22 | H6 | 81.3° | 106.3° |
| O23 | C23 | C24 | H8 | 40.6° | 6.5° |
| N11 | C12 | N13 | H11 | 180.0° | 180.0° |
| F22 | C22 | C23 | C21 | 117.2° | 118.8° |
| F22 | C22 | C23 | H6 | 125.4° | 122.6° |
| F22 | C22 | C23 | C24 | 76.3° | 102.8° |
| F22 | C22 | C21 | H6 | 124.9° | 122.4° |
| F22 | C22 | C21 | N9 | 153.6° | 141.4° |
| F22 | C22 | C21 | O24 | 87.4° | 99.2° |
| F22 | C22 | C21 | H5 | 30.9° | 20.3° |
| F22 | C22 | C23 | H7 | 168.0° | 138.3° |
| C33 | C32 | F32 | H13 | 124.7° | 120.9° |
| C32 | C33 | O33 | H14 | 123.5° | 120.7° |
| C32 | C33 | O33 | P25 | 89.8° | 116.9° |
| C33 | C32 | C31 | H12 | 153.5° | 122.4° |
| C32 | C33 | C34 | H15 | 75.7° | 110.5° |
| F32 | C32 | C33 | O33 | 49.2° | 7.4° |
| F32 | C32 | C31 | H12 | 36.0° | 2.9° |
| F32 | C32 | C33 | H14 | 173.5° | 128.2° |
| C33 | O33 | P25 | O25 | 76.4° | 111.0° |
| C33 | O33 | P25 | O26 | 41.1° | 9.1° |
| C33 | O33 | P25 | S26 | 166.3° | 129.0° |
| O33 | C33 | C32 | H13 | 76.6° | 113.4° |
| O33 | C33 | C34 | H15 | 42.3° | 9.2° |
| C22 | C23 | C24 | H7 | 115.7° | 118.9° |
| C23 | C22 | C21 | H6 | 117.4° | 118.7° |
| C22 | C23 | C24 | C25 | 160.0° | 127.2° |
| C22 | C23 | C24 | O24 | 37.8° | 7.2° |
| C23 | C22 | C21 | N9 | 88.7° | 99.7° |
| C23 | C22 | C21 | O24 | 30.2° | 19.7° |
| C23 | C22 | C21 | H5 | 148.5° | 139.2° |
| C22 | C23 | C24 | H8 | 77.9° | 112.5° |
| C24 | C23 | C22 | C21 | 40.9° | 16.0° |
| C23 | C24 | C25 | O24 | 118.7° | 118.8° |
| C23 | C24 | C25 | H8 | 121.9° | 120.4° |
| C23 | C24 | O24 | H8 | 115.1° | 119.6° |
| C23 | C24 | O24 | C21 | 20.2° | 5.5° |
| C23 | C24 | C25 | O25 | 66.1° | 118.8° |
| C24 | C23 | C22 | H6 | 158.3° | 134.7° |
| C23 | C24 | C25 | H9 | 173.8° | 1.1° |
| C23 | C24 | C25 | H10 | 53.9° | 121.1° |
| C22 | C21 | N9 | C4 | 68.1° | 85.6° |
| C22 | C21 | O24 | C24 | 6.4° | 16.1° |
| C22 | C21 | N9 | O24 | 117.2° | 117.9° |
| C22 | C21 | N9 | H5 | 122.2° | 121.1° |
| C22 | C21 | O24 | H5 | 117.3° | 119.5° |
| C22 | C21 | N9 | C8 | 107.1° | 94.4° |
| C21 | C22 | C23 | H7 | 74.7° | 102.9° |
| N3 | C2 | N1 | H1 | 180.0° | 179.7° |
| N3 | C2 | N1 | C6 | 0.0° | 0.0° |
| C2 | N3 | C4 | C5 | 0.1° | 0.1° |
| C2 | N3 | C4 | N9 | 178.9° | 179.9° |
| N1 | C2 | N3 | C4 | 0.1° | 0.0° |
| C2 | N1 | C6 | C5 | 0.0° | 0.1° |
| C2 | N1 | C6 | N6 | 180.0° | 180.0° |
| N3 | C4 | C5 | N9 | 179.0° | 179.9° |
| N3 | C4 | C5 | C6 | 0.1° | 0.1° |
| N3 | C4 | N9 | C21 | 3.6° | 0.1° |
| N3 | C4 | C5 | N7 | 179.9° | 180.0° |
| N3 | C4 | N9 | C8 | 179.6° | 179.9° |
| C4 | N3 | C2 | H1 | 179.9° | 179.8° |
| N1 | C6 | C5 | C4 | 0.1° | 0.1° |
| N1 | C6 | C5 | N6 | 180.0° | 180.0° |
| N1 | C6 | C5 | N7 | 180.0° | 180.0° |
| C6 | N1 | C2 | H1 | 180.0° | 179.8° |
| N1 | C6 | N6 | H21 | 0.0° | 180.0° |
| N1 | C6 | N6 | H22 | 120.0° | 0.0° |
| O33 | P25 | O25 | C25 | 56.6° | 127.8° |
| O33 | P25 | O25 | O26 | 117.9° | 120.0° |
| O33 | P25 | O25 | S26 | 116.7° | 120.0° |
| O33 | P25 | O26 | S26 | 122.1° | 119.9° |
| P25 | O33 | C33 | H14 | 33.6° | 3.9° |
| O33 | P25 | S26 | H23 | 122.7° | 180.0° |
| C4 | C5 | C6 | N7 | 179.9° | 179.9° |
| C4 | C5 | C6 | N6 | 180.0° | 180.0° |
| C5 | C4 | N9 | C21 | 177.4° | 180.0° |
| C5 | C4 | N9 | C8 | 1.4° | 0.0° |
| C4 | C5 | N7 | C8 | 0.0° | 0.1° |
| N9 | C4 | C5 | C6 | 179.1° | 180.0° |
| C4 | N9 | C21 | C8 | 175.2° | 179.9° |
| C4 | N9 | C21 | O24 | 174.7° | 156.5° |
| N9 | C4 | C5 | N7 | 0.9° | 0.1° |
| C4 | N9 | C8 | N7 | 1.5° | 0.0° |
| C4 | N9 | C21 | H5 | 54.1° | 35.5° |
| C4 | N9 | C8 | H20 | 178.5° | 180.0° |
| C25 | C24 | O24 | H8 | 119.0° | 120.5° |
| C25 | C24 | O24 | C21 | 146.1° | 114.4° |
| C24 | C25 | O25 | H9 | 120.1° | 119.9° |
| C24 | C25 | O25 | H10 | 120.0° | 120.1° |
| C24 | C25 | O25 | P25 | 163.8° | 149.0° |
| C25 | C24 | C23 | H7 | 44.3° | 8.3° |
| C24 | C25 | H9 | H10 | 119.8° | 120.0° |
| C24 | O24 | C21 | N9 | 115.9° | 103.4° |
| O24 | C24 | C25 | O25 | 52.6° | 122.3° |
| C24 | O24 | C21 | H5 | 123.7° | 135.6° |
| O24 | C24 | C23 | H7 | 77.8° | 111.7° |
| O24 | C24 | C25 | H9 | 67.4° | 117.7° |
| O24 | C24 | C25 | H10 | 172.7° | 2.3° |
| C6 | C5 | N7 | C8 | 180.0° | 180.0° |
| C5 | C6 | N6 | H21 | 180.0° | 0.0° |
| C5 | C6 | N6 | H22 | 60.0° | 180.0° |
| N6 | C6 | C5 | N7 | 0.0° | 0.0° |
| C6 | N6 | H21 | H22 | 120.0° | 180.0° |
| N9 | C21 | O24 | H5 | 120.4° | 121.0° |
| C21 | N9 | C8 | N7 | 177.5° | 180.0° |
| N9 | C21 | C22 | H6 | 28.7° | 19.0° |
| C21 | N9 | C8 | H20 | 2.6° | 0.0° |
| O24 | C21 | N9 | C8 | 10.1° | 23.5° |
| O24 | C21 | C22 | H6 | 147.6° | 138.4° |
| C21 | O24 | C24 | H8 | 94.9° | 125.1° |
| C5 | N7 | C8 | N9 | 0.9° | 0.0° |
| C5 | N7 | C8 | H20 | 179.1° | 180.0° |
| N9 | C8 | N7 | H20 | 180.0° | 180.0° |
| C8 | N9 | C21 | H5 | 130.7° | 144.5° |
| C25 | O25 | P25 | O26 | 174.5° | 7.8° |
| C25 | O25 | P25 | S26 | 60.1° | 112.2° |
| O25 | C25 | C24 | H8 | 172.0° | 1.5° |
| O25 | C25 | H9 | H10 | 119.8° | 120.1° |
| O25 | P25 | O26 | S26 | 122.7° | 120.0° |
| P25 | O25 | C25 | H9 | 76.2° | 29.1° |
| P25 | O25 | C25 | H10 | 43.7° | 90.9° |
| O25 | P25 | S26 | H23 | 122.5° | 60.0° |
| O26 | P25 | S26 | H23 | 0.0° | 60.1° |
| H5 | C21 | C22 | H6 | 94.1° | 102.1° |
| H6 | C22 | C23 | H7 | 42.6° | 15.8° |
| H7 | C23 | C24 | H8 | 166.4° | 128.6° |
| H8 | C24 | C25 | H9 | 51.9° | 121.5° |
| H8 | C24 | C25 | H10 | 68.0° | 118.5° |
| H12 | C31 | C32 | H13 | 89.2° | 117.9° |
| H12 | C31 | C36 | H18 | 111.1° | 123.6° |
| H12 | C31 | C36 | H19 | 10.3° | 2.7° |
| H13 | C32 | C33 | H14 | 47.7° | 7.4° |
| H14 | C33 | C34 | H15 | 167.2° | 130.1° |
| H15 | C34 | C35 | H16 | 68.1° | 123.8° |
| H15 | C34 | C35 | H17 | 51.4° | 116.2° |
| H15 | C34 | C36 | H18 | 141.0° | 128.2° |
| H15 | C34 | C36 | H19 | 19.7° | 7.3° |
