JLU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N12 | C12 | sing | 1.37Å | 1.33Å | |
| C12 | N13 | sing | 1.36Å | 1.36Å | |
| C12 | N11 | doub | 1.32Å | 1.33Å | |
| N13 | C14 | sing | 1.37Å | 1.36Å | |
| N11 | C16 | sing | 1.34Å | 1.38Å | |
| C32 | C31 | sing | 1.53Å | 1.52Å | |
| C32 | C33 | sing | 1.53Å | 1.51Å | |
| C31 | N19 | sing | 1.46Å | 1.47Å | |
| C31 | C36 | sing | 1.53Å | 1.53Å | |
| C14 | N19 | sing | 1.36Å | 1.36Å | Aromatic |
| C14 | C15 | doub | 1.39Å | 1.37Å | Aromatic |
| C16 | C15 | sing | 1.47Å | 1.45Å | |
| C16 | O16 | doub | 1.22Å | 1.23Å | |
| N19 | C18 | sing | 1.36Å | 1.37Å | Aromatic |
| C36 | C34 | sing | 1.53Å | 1.54Å | |
| C15 | N17 | sing | 1.35Å | 1.39Å | Aromatic |
| C33 | O33 | sing | 1.43Å | 1.45Å | |
| C33 | C34 | sing | 1.53Å | 1.51Å | |
| O33 | P25 | sing | 1.61Å | 1.59Å | |
| C34 | C35 | sing | 1.53Å | 1.51Å | |
| O25B | P25 | doub | 1.48Å | 1.50Å | |
| O25A | P25 | sing | 1.61Å | 1.50Å | |
| C18 | N17 | doub | 1.30Å | 1.32Å | Aromatic |
| P25 | O25 | sing | 1.61Å | 1.59Å | |
| C35 | O35 | sing | 1.43Å | 1.44Å | |
| O35 | P35 | sing | 1.61Å | 1.58Å | |
| O25 | C25 | sing | 1.43Å | 1.44Å | |
| C25 | C24 | sing | 1.53Å | 1.51Å | |
| P35 | O35A | doub | 1.48Å | 1.50Å | |
| P35 | O23 | sing | 1.61Å | 1.59Å | |
| P35 | O35B | sing | 1.61Å | 1.50Å | |
| N7 | C8 | doub | 1.30Å | 1.31Å | Aromatic |
| N7 | C5 | sing | 1.36Å | 1.39Å | Aromatic |
| C8 | N9 | sing | 1.36Å | 1.38Å | Aromatic |
| O23 | C23 | sing | 1.43Å | 1.44Å | |
| C24 | C23 | sing | 1.54Å | 1.51Å | |
| C24 | O24 | sing | 1.43Å | 1.45Å | |
| C23 | C22 | sing | 1.54Å | 1.52Å | |
| O24 | C21 | sing | 1.43Å | 1.42Å | |
| N6 | C6 | sing | 1.38Å | 1.34Å | |
| C5 | C6 | doub | 1.41Å | 1.40Å | Aromatic |
| C5 | C4 | sing | 1.41Å | 1.38Å | Aromatic |
| N9 | C21 | sing | 1.46Å | 1.46Å | |
| N9 | C4 | sing | 1.37Å | 1.37Å | Aromatic |
| C6 | N1 | sing | 1.33Å | 1.35Å | Aromatic |
| C22 | C21 | sing | 1.54Å | 1.52Å | |
| C22 | F22 | sing | 1.40Å | 1.40Å | |
| C4 | N3 | doub | 1.33Å | 1.34Å | Aromatic |
| N1 | C2 | doub | 1.32Å | 1.33Å | Aromatic |
| N3 | C2 | sing | 1.32Å | 1.33Å | Aromatic |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C18 | H2 | sing | 1.08Å | 1.08Å | |
| C21 | H3 | sing | 1.09Å | 1.10Å | |
| C22 | H4 | sing | 1.09Å | 1.10Å | |
| C23 | H5 | sing | 1.09Å | 1.10Å | |
| C24 | H6 | sing | 1.09Å | 1.10Å | |
| C25 | H7 | sing | 1.09Å | 1.10Å | |
| C25 | H8 | sing | 1.09Å | 1.10Å | |
| C31 | H9 | sing | 1.09Å | 1.10Å | |
| C32 | H10 | sing | 1.09Å | 1.10Å | |
| C32 | H11 | sing | 1.09Å | 1.10Å | |
| C33 | H12 | sing | 1.09Å | 1.10Å | |
| C34 | H13 | sing | 1.09Å | 1.10Å | |
| C35 | H14 | sing | 1.09Å | 1.10Å | |
| C35 | H15 | sing | 1.09Å | 1.10Å | |
| C36 | H16 | sing | 1.09Å | 1.10Å | |
| C36 | H17 | sing | 1.09Å | 1.10Å | |
| C8 | H18 | sing | 1.08Å | 1.08Å | |
| N12 | H19 | sing | 0.97Å | 1.00Å | |
| N12 | H20 | sing | 0.97Å | 1.00Å | |
| N13 | H21 | sing | 0.97Å | 1.00Å | |
| N6 | H22 | sing | 0.97Å | 1.00Å | |
| N6 | H23 | sing | 0.97Å | 1.00Å | |
| O25A | H24 | sing | 0.97Å | 0.95Å | |
| O35B | H25 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N12 | C12 | N13 | 115.3° | 118.7° |
| N12 | C12 | N11 | 120.8° | 118.7° |
| C12 | N12 | H19 | 120.0° | 120.0° |
| C12 | N12 | H20 | 120.0° | 120.0° |
| N13 | C12 | N11 | 123.9° | 122.6° |
| C12 | N13 | C14 | 116.5° | 120.6° |
| C12 | N13 | H21 | 121.8° | 119.8° |
| C12 | N11 | C16 | 121.0° | 121.3° |
| N13 | C14 | N19 | 128.5° | 134.8° |
| N13 | C14 | C15 | 124.1° | 118.9° |
| C14 | N13 | H21 | 121.7° | 119.7° |
| N11 | C16 | C15 | 117.0° | 118.6° |
| N11 | C16 | O16 | 119.9° | 120.7° |
| C31 | C32 | C33 | 98.1° | 107.8° |
| C32 | C31 | N19 | 111.4° | 109.8° |
| C32 | C31 | C36 | 103.7° | 108.1° |
| C32 | C31 | H9 | 108.9° | 109.7° |
| C31 | C32 | H10 | 112.2° | 109.8° |
| C31 | C32 | H11 | 112.2° | 109.8° |
| C32 | C33 | O33 | 111.7° | 109.8° |
| C32 | C33 | C34 | 100.8° | 107.9° |
| C33 | C32 | H10 | 112.3° | 109.8° |
| C33 | C32 | H11 | 112.2° | 109.8° |
| C32 | C33 | H12 | 110.8° | 109.7° |
| N19 | C31 | C36 | 114.4° | 109.8° |
| C31 | N19 | C14 | 123.5° | 126.2° |
| C31 | N19 | C18 | 130.7° | 126.2° |
| N19 | C31 | H9 | 109.5° | 109.8° |
| C31 | C36 | C34 | 104.8° | 107.8° |
| C36 | C31 | H9 | 108.7° | 109.7° |
| C31 | C36 | H16 | 110.6° | 109.8° |
| C31 | C36 | H17 | 110.6° | 109.8° |
| N19 | C14 | C15 | 107.4° | 106.4° |
| C14 | N19 | C18 | 105.8° | 107.6° |
| C14 | C15 | C16 | 117.5° | 118.1° |
| C14 | C15 | N17 | 109.7° | 107.4° |
| C15 | C16 | O16 | 123.1° | 120.7° |
| C16 | C15 | N17 | 132.7° | 134.5° |
| N19 | C18 | N17 | 112.7° | 109.5° |
| N19 | C18 | H2 | 123.6° | 125.3° |
| C36 | C34 | C33 | 102.5° | 107.8° |
| C36 | C34 | C35 | 112.1° | 109.8° |
| C36 | C34 | H13 | 108.9° | 109.7° |
| C34 | C36 | H16 | 110.6° | 109.8° |
| C34 | C36 | H17 | 110.6° | 109.8° |
| C15 | N17 | C18 | 104.3° | 109.2° |
| O33 | C33 | C34 | 110.4° | 109.8° |
| C33 | O33 | P25 | 120.2° | 123.0° |
| O33 | C33 | H12 | 111.8° | 109.9° |
| C33 | C34 | C35 | 114.6° | 109.8° |
| C34 | C33 | H12 | 110.8° | 109.7° |
| C33 | C34 | H13 | 109.2° | 109.8° |
| O33 | P25 | O25B | 109.6° | 109.5° |
| O33 | P25 | O25A | 109.2° | 109.5° |
| O33 | P25 | O25 | 105.4° | 109.5° |
| C34 | C35 | O35 | 110.1° | 109.5° |
| C35 | C34 | H13 | 109.3° | 109.9° |
| C34 | C35 | H14 | 109.3° | 109.5° |
| C34 | C35 | H15 | 109.3° | 109.5° |
| O25B | P25 | O25A | 113.8° | 109.4° |
| O25B | P25 | O25 | 109.1° | 109.4° |
| O25A | P25 | O25 | 109.4° | 109.5° |
| P25 | O25A | H24 | 109.5° | 114.0° |
| N17 | C18 | H2 | 123.6° | 125.2° |
| P25 | O25 | C25 | 120.9° | 123.0° |
| C35 | O35 | P35 | 120.3° | 123.0° |
| O35 | C35 | H14 | 109.3° | 109.5° |
| O35 | C35 | H15 | 109.3° | 109.5° |
| O35 | P35 | O35A | 109.3° | 109.5° |
| O35 | P35 | O23 | 104.7° | 109.4° |
| O35 | P35 | O35B | 109.4° | 109.4° |
| O25 | C25 | C24 | 109.5° | 109.5° |
| O25 | C25 | H7 | 109.5° | 109.4° |
| O25 | C25 | H8 | 109.5° | 109.5° |
| C25 | C24 | C23 | 115.2° | 109.8° |
| C25 | C24 | O24 | 110.5° | 109.9° |
| C25 | C24 | H6 | 109.2° | 109.8° |
| C24 | C25 | H7 | 109.5° | 109.5° |
| C24 | C25 | H8 | 109.5° | 109.5° |
| O35A | P35 | O23 | 109.2° | 109.5° |
| O35A | P35 | O35B | 114.3° | 109.5° |
| O23 | P35 | O35B | 109.4° | 109.5° |
| P35 | O23 | C23 | 119.6° | 123.0° |
| P35 | O35B | H25 | 109.5° | 114.0° |
| C8 | N7 | C5 | 103.7° | 109.4° |
| N7 | C8 | N9 | 113.8° | 110.0° |
| N7 | C8 | H18 | 123.1° | 124.9° |
| N7 | C5 | C6 | 132.6° | 134.7° |
| N7 | C5 | C4 | 110.8° | 107.1° |
| C8 | N9 | C21 | 128.2° | 126.3° |
| C8 | N9 | C4 | 105.8° | 107.5° |
| N9 | C8 | H18 | 123.1° | 125.1° |
| O23 | C23 | C24 | 112.0° | 110.4° |
| O23 | C23 | C22 | 109.2° | 110.4° |
| O23 | C23 | H5 | 112.8° | 110.3° |
| C23 | C24 | O24 | 102.3° | 107.6° |
| C24 | C23 | C22 | 98.6° | 105.1° |
| C24 | C23 | H5 | 111.8° | 110.3° |
| C23 | C24 | H6 | 109.3° | 109.8° |
| C24 | O24 | C21 | 109.0° | 109.7° |
| O24 | C24 | H6 | 110.1° | 109.9° |
| C23 | C22 | C21 | 99.3° | 105.0° |
| C23 | C22 | F22 | 109.5° | 110.3° |
| C23 | C22 | H4 | 112.0° | 110.4° |
| C22 | C23 | H5 | 111.7° | 110.3° |
| O24 | C21 | N9 | 109.1° | 109.8° |
| O24 | C21 | C22 | 105.2° | 107.7° |
| O24 | C21 | H3 | 111.1° | 109.8° |
| N6 | C6 | C5 | 123.8° | 120.7° |
| N6 | C6 | N1 | 118.5° | 120.8° |
| C6 | N6 | H22 | 109.5° | 120.0° |
| C6 | N6 | H23 | 109.4° | 120.0° |
| C6 | C5 | C4 | 116.6° | 118.2° |
| C5 | C6 | N1 | 117.7° | 118.4° |
| C5 | C4 | N9 | 106.0° | 106.0° |
| C5 | C4 | N3 | 126.9° | 119.1° |
| C21 | N9 | C4 | 126.1° | 126.3° |
| N9 | C21 | C22 | 111.3° | 109.8° |
| N9 | C21 | H3 | 110.5° | 109.9° |
| N9 | C4 | N3 | 127.1° | 134.9° |
| C6 | N1 | C2 | 119.1° | 121.2° |
| C21 | C22 | F22 | 109.2° | 110.3° |
| C22 | C21 | H3 | 109.5° | 109.8° |
| C21 | C22 | H4 | 111.9° | 110.4° |
| F22 | C22 | H4 | 114.0° | 110.3° |
| C4 | N3 | C2 | 111.3° | 120.6° |
| N1 | C2 | N3 | 128.4° | 122.5° |
| N1 | C2 | H1 | 115.8° | 118.8° |
| N3 | C2 | H1 | 115.8° | 118.8° |
| H7 | C25 | H8 | 109.5° | 109.4° |
| H10 | C32 | H11 | 109.5° | 109.9° |
| H14 | C35 | H15 | 109.5° | 109.4° |
| H16 | C36 | H17 | 109.5° | 109.8° |
| H19 | N12 | H20 | 120.0° | 120.0° |
| H22 | N6 | H23 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N12 | C12 | N13 | N11 | 179.9° | 179.7° |
| N12 | C12 | N13 | C14 | 180.0° | 179.8° |
| N12 | C12 | N11 | C16 | 179.9° | 179.7° |
| C12 | N12 | H19 | H20 | 180.0° | 179.9° |
| N12 | C12 | N13 | H21 | 0.0° | 0.3° |
| C12 | N13 | C14 | H21 | 180.0° | 179.9° |
| N13 | C12 | N11 | C16 | 0.0° | 0.0° |
| C12 | N13 | C14 | N19 | 179.7° | 179.9° |
| C12 | N13 | C14 | C15 | 0.1° | 0.1° |
| N13 | C12 | N12 | H19 | 179.9° | 0.0° |
| N13 | C12 | N12 | H20 | 0.1° | 179.9° |
| N11 | C12 | N13 | C14 | 0.0° | 0.1° |
| C12 | N11 | C16 | C15 | 0.0° | 0.0° |
| C12 | N11 | C16 | O16 | 180.0° | 180.0° |
| N11 | C12 | N12 | H19 | 0.0° | 179.7° |
| N11 | C12 | N12 | H20 | 180.0° | 0.2° |
| N11 | C12 | N13 | H21 | 179.9° | 180.0° |
| N13 | C14 | N19 | C31 | 0.9° | 0.0° |
| N13 | C14 | N19 | C15 | 179.6° | 180.0° |
| N13 | C14 | C15 | C16 | 0.1° | 0.0° |
| N13 | C14 | N19 | C18 | 180.0° | 180.0° |
| N13 | C14 | C15 | N17 | 179.9° | 180.0° |
| N11 | C16 | C15 | C14 | 0.0° | 0.0° |
| N11 | C16 | C15 | O16 | 180.0° | 180.0° |
| N11 | C16 | C15 | N17 | 180.0° | 179.9° |
| C31 | C32 | C33 | H10 | 118.1° | 119.6° |
| C31 | C32 | C33 | H11 | 118.1° | 119.5° |
| C32 | C31 | N19 | C36 | 117.2° | 118.7° |
| C32 | C31 | N19 | H9 | 120.5° | 120.6° |
| C32 | C31 | C36 | H9 | 115.7° | 119.6° |
| C32 | C31 | N19 | C14 | 76.0° | 121.3° |
| C32 | C31 | N19 | C18 | 102.9° | 58.7° |
| C32 | C31 | C36 | C34 | 17.9° | 2.4° |
| C31 | C32 | C33 | O33 | 171.7° | 126.1° |
| C31 | C32 | C33 | C34 | 54.4° | 6.5° |
| C31 | C32 | H10 | H11 | 125.3° | 120.8° |
| C31 | C32 | C33 | H12 | 62.9° | 113.0° |
| C32 | C31 | C36 | H16 | 137.1° | 117.2° |
| C32 | C31 | C36 | H17 | 101.4° | 122.1° |
| C33 | C32 | C31 | N19 | 79.4° | 117.2° |
| C33 | C32 | C31 | C36 | 44.1° | 2.5° |
| C32 | C33 | C34 | C36 | 43.7° | 8.0° |
| C32 | C33 | O33 | C34 | 111.3° | 118.4° |
| C32 | C33 | O33 | H12 | 124.8° | 120.8° |
| C32 | C33 | C34 | H12 | 117.4° | 119.5° |
| C32 | C33 | O33 | P25 | 103.8° | 116.3° |
| C32 | C33 | C34 | C35 | 165.3° | 127.6° |
| C33 | C32 | C31 | H9 | 159.7° | 122.1° |
| C33 | C32 | H10 | H11 | 125.3° | 120.8° |
| C32 | C33 | C34 | H13 | 71.7° | 111.5° |
| N19 | C31 | C36 | H9 | 122.7° | 120.7° |
| C31 | N19 | C14 | C18 | 179.1° | 180.0° |
| C31 | N19 | C14 | C15 | 179.5° | 180.0° |
| N19 | C31 | C36 | C34 | 103.7° | 122.1° |
| C31 | N19 | C18 | N17 | 179.4° | 180.0° |
| C31 | N19 | C18 | H2 | 0.6° | 0.0° |
| N19 | C31 | C32 | H10 | 162.5° | 123.2° |
| N19 | C31 | C32 | H11 | 38.7° | 2.3° |
| N19 | C31 | C36 | H16 | 15.5° | 2.5° |
| N19 | C31 | C36 | H17 | 137.0° | 118.2° |
| C36 | C31 | N19 | C14 | 166.7° | 120.0° |
| C36 | C31 | N19 | C18 | 14.4° | 60.0° |
| C31 | C36 | C34 | H16 | 119.3° | 119.6° |
| C31 | C36 | C34 | H17 | 119.3° | 119.6° |
| C31 | C36 | C34 | C33 | 15.6° | 6.4° |
| C31 | C36 | C34 | C35 | 139.0° | 126.0° |
| C36 | C31 | C32 | H10 | 74.0° | 117.1° |
| C36 | C31 | C32 | H11 | 162.2° | 122.0° |
| C31 | C36 | C34 | H13 | 100.0° | 113.1° |
| C31 | C36 | H16 | H17 | 122.2° | 120.8° |
| N19 | C14 | C15 | C16 | 179.7° | 180.0° |
| N19 | C14 | C15 | N17 | 0.2° | 0.0° |
| C14 | N19 | C18 | N17 | 0.4° | 0.0° |
| C14 | N19 | C18 | H2 | 179.6° | 180.0° |
| C14 | N19 | C31 | H9 | 44.4° | 0.7° |
| N19 | C14 | N13 | H21 | 0.3° | 0.0° |
| C14 | C15 | C16 | N17 | 180.0° | 179.9° |
| C14 | C15 | C16 | O16 | 180.0° | 180.0° |
| C15 | C14 | N19 | C18 | 0.4° | 0.0° |
| C14 | C15 | N17 | C18 | 0.0° | 0.0° |
| C15 | C14 | N13 | H21 | 179.9° | 180.0° |
| C16 | C15 | N17 | C18 | 180.0° | 179.9° |
| O16 | C16 | C15 | N17 | 0.1° | 0.0° |
| N19 | C18 | N17 | C15 | 0.2° | 0.0° |
| N19 | C18 | N17 | H2 | 180.0° | 180.0° |
| C18 | N19 | C31 | H9 | 136.7° | 179.3° |
| C36 | C34 | C33 | O33 | 161.8° | 127.6° |
| C36 | C34 | C33 | C35 | 121.7° | 119.6° |
| C36 | C34 | C33 | H13 | 115.4° | 119.5° |
| C36 | C34 | C35 | H13 | 120.8° | 120.7° |
| C36 | C34 | C35 | O35 | 47.7° | 121.4° |
| C34 | C36 | C31 | H9 | 133.6° | 117.1° |
| C36 | C34 | C33 | H12 | 73.7° | 111.5° |
| C36 | C34 | C35 | H14 | 72.4° | 118.6° |
| C36 | C34 | C35 | H15 | 167.8° | 1.4° |
| C34 | C36 | H16 | H17 | 122.2° | 120.8° |
| C15 | N17 | C18 | H2 | 179.8° | 180.0° |
| O33 | C33 | C34 | H12 | 124.5° | 120.9° |
| O33 | C33 | C34 | C35 | 76.5° | 112.8° |
| C33 | O33 | P25 | O25B | 44.8° | 11.3° |
| C33 | O33 | P25 | O25A | 170.0° | 131.3° |
| C33 | O33 | P25 | O25 | 72.5° | 108.7° |
| O33 | C33 | C32 | H10 | 53.6° | 6.5° |
| O33 | C33 | C32 | H11 | 70.2° | 114.4° |
| O33 | C33 | C34 | H13 | 46.5° | 8.1° |
| C34 | C33 | O33 | P25 | 145.0° | 125.3° |
| C33 | C34 | C35 | H13 | 123.0° | 120.9° |
| C33 | C34 | C35 | O35 | 68.6° | 120.2° |
| C34 | C33 | C32 | H10 | 63.6° | 113.1° |
| C34 | C33 | C32 | H11 | 172.5° | 126.0° |
| C33 | C34 | C35 | H14 | 171.4° | 0.2° |
| C33 | C34 | C35 | H15 | 51.5° | 119.7° |
| C33 | C34 | C36 | H16 | 103.6° | 113.2° |
| C33 | C34 | C36 | H17 | 134.9° | 126.1° |
| O33 | P25 | O25B | O25A | 122.5° | 120.0° |
| O33 | P25 | O25B | O25 | 114.9° | 120.0° |
| O33 | P25 | O25A | O25 | 114.8° | 120.0° |
| O33 | P25 | O25 | C25 | 66.5° | 125.3° |
| P25 | O33 | C33 | H12 | 21.0° | 4.5° |
| O33 | P25 | O25A | H24 | 122.7° | 180.0° |
| C34 | C35 | O35 | H14 | 120.1° | 120.1° |
| C34 | C35 | O35 | H15 | 120.1° | 120.1° |
| C34 | C35 | O35 | P35 | 174.3° | 148.2° |
| C35 | C34 | C33 | H12 | 48.0° | 8.1° |
| C34 | C35 | H14 | H15 | 119.7° | 120.0° |
| C35 | C34 | C36 | H16 | 19.8° | 6.5° |
| C35 | C34 | C36 | H17 | 101.7° | 114.3° |
| O25B | P25 | O25A | O25 | 122.4° | 119.9° |
| O25B | P25 | O25 | C25 | 175.9° | 5.3° |
| O25B | P25 | O25A | H24 | 0.0° | 60.0° |
| O25A | P25 | O25 | C25 | 50.8° | 114.7° |
| P25 | O25 | C25 | C24 | 174.8° | 153.1° |
| P25 | O25 | C25 | H7 | 54.8° | 33.1° |
| P25 | O25 | C25 | H8 | 65.2° | 86.9° |
| O25 | P25 | O25A | H24 | 122.4° | 60.0° |
| C35 | O35 | P35 | O35A | 65.3° | 115.6° |
| C35 | O35 | P35 | O23 | 51.6° | 124.4° |
| C35 | O35 | P35 | O35B | 168.8° | 4.4° |
| O35 | C35 | C34 | H13 | 168.5° | 0.6° |
| O35 | C35 | H14 | H15 | 119.7° | 119.9° |
| O35 | P35 | O35A | O23 | 114.0° | 120.0° |
| O35 | P35 | O35A | O35B | 123.1° | 120.0° |
| O35 | P35 | O23 | O35B | 117.2° | 120.0° |
| O35 | P35 | O23 | C23 | 76.4° | 113.7° |
| P35 | O35 | C35 | H14 | 65.6° | 28.2° |
| P35 | O35 | C35 | H15 | 54.2° | 91.7° |
| O35 | P35 | O35B | H25 | 123.0° | 60.0° |
| O25 | C25 | C24 | H7 | 120.0° | 120.0° |
| O25 | C25 | C24 | H8 | 120.0° | 120.1° |
| O25 | C25 | C24 | C23 | 56.5° | 118.7° |
| O25 | C25 | C24 | O24 | 58.8° | 123.1° |
| O25 | C25 | C24 | H6 | 179.9° | 2.1° |
| O25 | C25 | H7 | H8 | 120.0° | 120.0° |
| C25 | C24 | C23 | O23 | 79.6° | 108.0° |
| C25 | C24 | C23 | O24 | 120.0° | 119.6° |
| C25 | C24 | C23 | H6 | 123.4° | 120.9° |
| C25 | C24 | O24 | H6 | 120.8° | 120.9° |
| C25 | C24 | C23 | C22 | 165.5° | 133.1° |
| C25 | C24 | O24 | C21 | 148.4° | 142.0° |
| C25 | C24 | C23 | H5 | 48.0° | 14.2° |
| C24 | C25 | H7 | H8 | 120.0° | 120.0° |
| O35A | P35 | O23 | O35B | 125.8° | 120.0° |
| O35A | P35 | O23 | C23 | 166.7° | 126.3° |
| O35A | P35 | O35B | H25 | 0.0° | 60.0° |
| P35 | O23 | C23 | C24 | 152.8° | 126.1° |
| P35 | O23 | C23 | C22 | 99.0° | 118.2° |
| P35 | O23 | C23 | H5 | 25.7° | 3.9° |
| O23 | P35 | O35B | H25 | 122.8° | 180.0° |
| O35B | P35 | O23 | C23 | 40.8° | 6.2° |
| N7 | C8 | N9 | H18 | 180.0° | 180.0° |
| C8 | N7 | C5 | C6 | 180.0° | 180.0° |
| C8 | N7 | C5 | C4 | 0.0° | 0.3° |
| N7 | C8 | N9 | C21 | 179.4° | 180.0° |
| N7 | C8 | N9 | C4 | 0.4° | 0.1° |
| C5 | N7 | C8 | N9 | 0.2° | 0.2° |
| N7 | C5 | C6 | N6 | 0.0° | 0.0° |
| N7 | C5 | C6 | C4 | 180.0° | 179.7° |
| N7 | C5 | C4 | N9 | 0.3° | 0.2° |
| N7 | C5 | C6 | N1 | 180.0° | 180.0° |
| N7 | C5 | C4 | N3 | 180.0° | 179.9° |
| C5 | N7 | C8 | H18 | 179.8° | 179.8° |
| C8 | N9 | C21 | O24 | 12.5° | 23.4° |
| C8 | N9 | C4 | C5 | 0.4° | 0.1° |
| C8 | N9 | C21 | C4 | 178.9° | 179.9° |
| C8 | N9 | C21 | C22 | 103.2° | 94.9° |
| C8 | N9 | C4 | N3 | 179.9° | 179.7° |
| C8 | N9 | C21 | H3 | 134.9° | 144.3° |
| O23 | C23 | C24 | C22 | 114.8° | 119.0° |
| O23 | C23 | C24 | H5 | 127.6° | 122.2° |
| O23 | C23 | C24 | O24 | 160.4° | 132.4° |
| O23 | C23 | C22 | H5 | 125.4° | 122.1° |
| O23 | C23 | C22 | C21 | 164.9° | 119.5° |
| O23 | C23 | C22 | F22 | 50.6° | 0.6° |
| O23 | C23 | C22 | H4 | 76.8° | 121.6° |
| O23 | C23 | C24 | H6 | 43.7° | 12.9° |
| C23 | C24 | O24 | H6 | 116.1° | 119.5° |
| C24 | C23 | C22 | H5 | 117.7° | 118.9° |
| C23 | C24 | O24 | C21 | 25.3° | 22.4° |
| C24 | C23 | C22 | C21 | 47.9° | 0.5° |
| C24 | C23 | C22 | F22 | 66.4° | 118.4° |
| C24 | C23 | C22 | H4 | 166.2° | 119.4° |
| C23 | C24 | C25 | H7 | 63.5° | 1.2° |
| C23 | C24 | C25 | H8 | 176.5° | 121.2° |
| O24 | C24 | C23 | C22 | 45.6° | 13.5° |
| C24 | O24 | C21 | N9 | 113.7° | 141.7° |
| C24 | O24 | C21 | C22 | 5.8° | 22.1° |
| C24 | O24 | C21 | H3 | 124.2° | 97.4° |
| O24 | C24 | C23 | H5 | 72.0° | 105.4° |
| O24 | C24 | C25 | H7 | 178.8° | 117.0° |
| O24 | C24 | C25 | H8 | 61.2° | 3.0° |
| C23 | C22 | C21 | O24 | 34.1° | 12.6° |
| C23 | C22 | C21 | N9 | 83.9° | 132.2° |
| C23 | C22 | C21 | F22 | 114.5° | 118.9° |
| C23 | C22 | C21 | H4 | 118.4° | 118.9° |
| C23 | C22 | F22 | H4 | 126.3° | 122.2° |
| C23 | C22 | C21 | H3 | 153.6° | 106.9° |
| C22 | C23 | C24 | H6 | 71.1° | 106.1° |
| O24 | C21 | N9 | C22 | 115.6° | 118.3° |
| O24 | C21 | N9 | H3 | 122.4° | 120.8° |
| O24 | C21 | N9 | C4 | 168.7° | 156.6° |
| O24 | C21 | C22 | H3 | 119.5° | 119.5° |
| O24 | C21 | C22 | F22 | 80.4° | 131.5° |
| O24 | C21 | C22 | H4 | 152.5° | 106.3° |
| C21 | O24 | C24 | H6 | 90.8° | 97.1° |
| N6 | C6 | C5 | N1 | 180.0° | 180.0° |
| N6 | C6 | C5 | C4 | 180.0° | 179.8° |
| N6 | C6 | N1 | C2 | 180.0° | 180.0° |
| C6 | N6 | H22 | H23 | 120.0° | 180.0° |
| C6 | C5 | C4 | N9 | 179.7° | 180.0° |
| C6 | C5 | C4 | N3 | 0.0° | 0.3° |
| C5 | C6 | N1 | C2 | 0.1° | 0.0° |
| C5 | C6 | N6 | H22 | 180.0° | 0.0° |
| C5 | C6 | N6 | H23 | 60.0° | 180.0° |
| C5 | C4 | N9 | C21 | 179.4° | 179.8° |
| C5 | C4 | N9 | N3 | 179.7° | 179.6° |
| C4 | C5 | C6 | N1 | 0.0° | 0.3° |
| C5 | C4 | N3 | C2 | 0.0° | 0.0° |
| N9 | C21 | C22 | H3 | 122.5° | 120.9° |
| N9 | C21 | C22 | F22 | 161.6° | 108.9° |
| C21 | N9 | C4 | N3 | 0.8° | 0.2° |
| N9 | C21 | C22 | H4 | 34.4° | 13.3° |
| C21 | N9 | C8 | H18 | 0.6° | 0.0° |
| C4 | N9 | C21 | C22 | 75.7° | 85.0° |
| N9 | C4 | N3 | C2 | 179.7° | 179.6° |
| C4 | N9 | C21 | H3 | 46.3° | 35.8° |
| C4 | N9 | C8 | H18 | 179.6° | 179.9° |
| C6 | N1 | C2 | N3 | 0.1° | 0.2° |
| C6 | N1 | C2 | H1 | 179.9° | 180.0° |
| N1 | C6 | N6 | H22 | 0.0° | 180.0° |
| N1 | C6 | N6 | H23 | 120.0° | 0.0° |
| C21 | C22 | F22 | H4 | 126.0° | 122.2° |
| C21 | C22 | C23 | H5 | 69.8° | 118.4° |
| F22 | C22 | C21 | H3 | 39.1° | 12.0° |
| F22 | C22 | C23 | H5 | 176.0° | 122.7° |
| C4 | N3 | C2 | N1 | 0.1° | 0.2° |
| C4 | N3 | C2 | H1 | 180.0° | 180.0° |
| N1 | C2 | N3 | H1 | 180.0° | 179.8° |
| H3 | C21 | C22 | H4 | 88.1° | 134.2° |
| H4 | C22 | C23 | H5 | 48.5° | 0.5° |
| H5 | C23 | C24 | H6 | 171.4° | 135.0° |
| H6 | C24 | C25 | H7 | 59.9° | 122.1° |
| H6 | C24 | C25 | H8 | 60.1° | 118.0° |
| H9 | C31 | C32 | H10 | 41.6° | 2.5° |
| H9 | C31 | C32 | H11 | 82.2° | 118.4° |
| H9 | C31 | C36 | H16 | 107.2° | 123.3° |
| H9 | C31 | C36 | H17 | 14.3° | 2.5° |
| H10 | C32 | C33 | H12 | 179.0° | 127.4° |
| H11 | C32 | C33 | H12 | 55.2° | 6.5° |
| H12 | C33 | C34 | H13 | 171.0° | 129.0° |
| H13 | C34 | C35 | H14 | 48.4° | 120.7° |
| H13 | C34 | C35 | H15 | 71.4° | 119.4° |
| H13 | C34 | C36 | H16 | 140.8° | 127.3° |
| H13 | C34 | C36 | H17 | 19.3° | 6.5° |
