1VU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O5 | P | doub | 1.48Å | 1.42Å | |
| C | C1 | sing | 1.53Å | 1.49Å | |
| O9 | P1 | doub | 1.48Å | 1.55Å | |
| C13 | O4 | sing | 1.43Å | 1.42Å | |
| C13 | C10 | sing | 1.53Å | 1.53Å | |
| C12 | C10 | sing | 1.53Å | 1.51Å | |
| P | O4 | sing | 1.61Å | 1.59Å | |
| P | O6 | sing | 1.61Å | 1.58Å | |
| P | O7 | sing | 1.61Å | 1.54Å | |
| C11 | C10 | sing | 1.53Å | 1.51Å | |
| C1 | C2 | sing | 1.51Å | 1.52Å | |
| C10 | C9 | sing | 1.53Å | 1.53Å | |
| O7 | P1 | sing | 1.61Å | 1.55Å | |
| P1 | O8 | sing | 1.61Å | 1.43Å | |
| P1 | O10 | sing | 1.61Å | 1.57Å | |
| C2 | S | sing | 1.71Å | 1.67Å | |
| C2 | O | doub | 1.21Å | 1.20Å | |
| S | C3 | sing | 1.81Å | 1.74Å | |
| C9 | O3 | sing | 1.43Å | 1.40Å | |
| C9 | C8 | sing | 1.51Å | 1.51Å | |
| O10 | C14 | sing | 1.43Å | 1.41Å | |
| O2 | C8 | doub | 1.21Å | 1.19Å | |
| C8 | N1 | sing | 1.35Å | 1.31Å | |
| N | C4 | sing | 1.46Å | 1.43Å | |
| N | C5 | sing | 1.35Å | 1.29Å | |
| C14 | C15 | sing | 1.53Å | 1.50Å | |
| C6 | C5 | sing | 1.51Å | 1.50Å | |
| C6 | C7 | sing | 1.53Å | 1.51Å | |
| N1 | C7 | sing | 1.46Å | 1.43Å | |
| C4 | C3 | sing | 1.53Å | 1.51Å | |
| C5 | O1 | doub | 1.21Å | 1.16Å | |
| C23 | C22 | sing | 1.55Å | 1.52Å | |
| C23 | C15 | sing | 1.54Å | 1.51Å | |
| C23 | O13 | sing | 1.43Å | 1.40Å | |
| C17 | N3 | doub | 1.30Å | 1.34Å | Aromatic |
| C17 | N2 | sing | 1.36Å | 1.31Å | Aromatic |
| C22 | O12 | sing | 1.43Å | 1.41Å | |
| C22 | C16 | sing | 1.54Å | 1.51Å | |
| C15 | O11 | sing | 1.44Å | 1.42Å | |
| N3 | C18 | sing | 1.36Å | 1.32Å | Aromatic |
| O14 | P2 | doub | 1.48Å | 1.43Å | |
| O15 | P2 | sing | 1.61Å | 1.56Å | |
| O11 | C16 | sing | 1.45Å | 1.40Å | |
| O13 | P2 | sing | 1.61Å | 1.60Å | |
| N2 | C16 | sing | 1.46Å | 1.47Å | |
| N2 | C21 | sing | 1.37Å | 1.31Å | Aromatic |
| P2 | O16 | sing | 1.61Å | 1.60Å | |
| C18 | C21 | doub | 1.40Å | 1.38Å | Aromatic |
| C18 | C19 | sing | 1.41Å | 1.39Å | Aromatic |
| C21 | N6 | sing | 1.33Å | 1.33Å | Aromatic |
| N4 | C19 | sing | 1.38Å | 1.33Å | |
| C19 | N5 | doub | 1.33Å | 1.32Å | Aromatic |
| N6 | C20 | doub | 1.32Å | 1.32Å | Aromatic |
| N5 | C20 | sing | 1.32Å | 1.32Å | Aromatic |
| O15 | H1 | sing | 0.97Å | 0.95Å | |
| O16 | H2 | sing | 0.97Å | 0.95Å | |
| C23 | H3 | sing | 1.09Å | 1.10Å | |
| C22 | H4 | sing | 1.09Å | 1.10Å | |
| O12 | H5 | sing | 0.97Å | 0.95Å | |
| C16 | H6 | sing | 1.09Å | 1.10Å | |
| C20 | H7 | sing | 1.08Å | 1.08Å | |
| N4 | H8 | sing | 0.97Å | 1.00Å | |
| N4 | H9 | sing | 0.97Å | 1.00Å | |
| C17 | H10 | sing | 1.08Å | 1.08Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| O8 | H14 | sing | 0.97Å | 0.95Å | |
| O6 | H15 | sing | 0.97Å | 0.95Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C12 | H22 | sing | 1.09Å | 1.10Å | |
| C12 | H23 | sing | 1.09Å | 1.10Å | |
| C9 | H24 | sing | 1.09Å | 1.10Å | |
| O3 | H25 | sing | 0.97Å | 0.95Å | |
| N1 | H26 | sing | 0.97Å | 1.00Å | |
| C7 | H27 | sing | 1.09Å | 1.10Å | |
| C7 | H28 | sing | 1.09Å | 1.10Å | |
| C6 | H29 | sing | 1.09Å | 1.10Å | |
| C6 | H30 | sing | 1.09Å | 1.10Å | |
| N | H31 | sing | 0.97Å | 1.00Å | |
| C4 | H32 | sing | 1.09Å | 1.10Å | |
| C4 | H33 | sing | 1.09Å | 1.10Å | |
| C3 | H34 | sing | 1.09Å | 1.10Å | |
| C3 | H35 | sing | 1.09Å | 1.10Å | |
| C1 | H36 | sing | 1.09Å | 1.10Å | |
| C1 | H37 | sing | 1.09Å | 1.10Å | |
| C | H38 | sing | 1.09Å | 1.10Å | |
| C | H39 | sing | 1.09Å | 1.10Å | |
| C | H40 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O5 | P | O4 | 105.5° | 109.5° |
| O5 | P | O6 | 115.7° | 109.5° |
| O5 | P | O7 | 109.2° | 109.5° |
| C | C1 | C2 | 112.8° | 109.5° |
| C | C1 | H36 | 108.6° | 109.4° |
| C | C1 | H37 | 108.7° | 109.5° |
| C1 | C | H38 | 109.5° | 109.5° |
| C1 | C | H39 | 109.5° | 109.5° |
| C1 | C | H40 | 109.5° | 109.5° |
| O9 | P1 | O7 | 105.4° | 109.5° |
| O9 | P1 | O8 | 111.8° | 109.5° |
| O9 | P1 | O10 | 115.0° | 109.5° |
| O4 | C13 | C10 | 112.0° | 109.5° |
| C13 | O4 | P | 119.4° | 123.0° |
| O4 | C13 | H16 | 108.8° | 109.5° |
| O4 | C13 | H17 | 108.9° | 109.4° |
| C13 | C10 | C12 | 105.9° | 109.4° |
| C13 | C10 | C11 | 111.7° | 109.5° |
| C13 | C10 | C9 | 111.4° | 109.5° |
| C10 | C13 | H16 | 108.8° | 109.5° |
| C10 | C13 | H17 | 108.8° | 109.4° |
| C12 | C10 | C11 | 110.4° | 109.4° |
| C12 | C10 | C9 | 112.7° | 109.5° |
| C10 | C12 | H21 | 109.5° | 109.5° |
| C10 | C12 | H22 | 109.5° | 109.5° |
| C10 | C12 | H23 | 109.5° | 109.5° |
| O4 | P | O6 | 110.0° | 109.5° |
| O4 | P | O7 | 103.3° | 109.5° |
| O6 | P | O7 | 112.2° | 109.5° |
| P | O6 | H15 | 109.5° | 114.0° |
| P | O7 | P1 | 122.3° | 134.0° |
| C11 | C10 | C9 | 104.9° | 109.4° |
| C10 | C11 | H18 | 109.5° | 109.5° |
| C10 | C11 | H19 | 109.5° | 109.5° |
| C10 | C11 | H20 | 109.5° | 109.5° |
| C1 | C2 | S | 120.4° | 120.0° |
| C1 | C2 | O | 117.8° | 120.0° |
| C2 | C1 | H36 | 108.6° | 109.5° |
| C2 | C1 | H37 | 108.7° | 109.5° |
| C10 | C9 | O3 | 107.0° | 109.5° |
| C10 | C9 | C8 | 112.6° | 109.5° |
| C10 | C9 | H24 | 107.5° | 109.5° |
| O7 | P1 | O8 | 108.7° | 109.5° |
| O7 | P1 | O10 | 107.4° | 109.5° |
| O8 | P1 | O10 | 108.3° | 109.5° |
| P1 | O8 | H14 | 109.5° | 114.0° |
| P1 | O10 | C14 | 122.4° | 123.0° |
| S | C2 | O | 121.8° | 120.0° |
| C2 | S | C3 | 107.7° | 100.0° |
| S | C3 | C4 | 110.0° | 109.5° |
| S | C3 | H34 | 109.3° | 109.5° |
| S | C3 | H35 | 109.4° | 109.4° |
| O3 | C9 | C8 | 112.7° | 109.4° |
| O3 | C9 | H24 | 109.1° | 109.4° |
| C9 | O3 | H25 | 109.5° | 114.0° |
| C9 | C8 | O2 | 118.8° | 120.0° |
| C9 | C8 | N1 | 117.2° | 120.0° |
| C8 | C9 | H24 | 107.7° | 109.5° |
| O10 | C14 | C15 | 111.0° | 109.5° |
| O10 | C14 | H12 | 109.1° | 109.5° |
| O10 | C14 | H13 | 109.1° | 109.5° |
| O2 | C8 | N1 | 124.0° | 120.0° |
| C8 | N1 | C7 | 126.6° | 120.0° |
| C8 | N1 | H26 | 116.7° | 120.0° |
| C4 | N | C5 | 123.9° | 120.0° |
| N | C4 | C3 | 112.2° | 109.5° |
| C4 | N | H31 | 118.1° | 120.0° |
| N | C4 | H32 | 108.8° | 109.5° |
| N | C4 | H33 | 108.8° | 109.5° |
| N | C5 | C6 | 113.6° | 120.0° |
| N | C5 | O1 | 124.4° | 120.0° |
| C5 | N | H31 | 118.0° | 120.0° |
| C14 | C15 | C23 | 111.2° | 110.4° |
| C14 | C15 | O11 | 107.1° | 110.3° |
| C14 | C15 | H11 | 110.4° | 110.4° |
| C15 | C14 | H12 | 109.1° | 109.4° |
| C15 | C14 | H13 | 109.1° | 109.5° |
| C5 | C6 | C7 | 113.7° | 109.5° |
| C6 | C5 | O1 | 122.0° | 120.0° |
| C5 | C6 | H29 | 108.4° | 109.5° |
| C5 | C6 | H30 | 108.4° | 109.5° |
| C6 | C7 | N1 | 112.4° | 109.5° |
| C6 | C7 | H27 | 108.7° | 109.5° |
| C6 | C7 | H28 | 108.7° | 109.5° |
| C7 | C6 | H29 | 108.4° | 109.5° |
| C7 | C6 | H30 | 108.4° | 109.5° |
| C7 | N1 | H26 | 116.7° | 120.0° |
| N1 | C7 | H27 | 108.7° | 109.5° |
| N1 | C7 | H28 | 108.8° | 109.4° |
| C3 | C4 | H32 | 108.8° | 109.4° |
| C3 | C4 | H33 | 108.8° | 109.5° |
| C4 | C3 | H34 | 109.3° | 109.5° |
| C4 | C3 | H35 | 109.4° | 109.5° |
| C22 | C23 | C15 | 101.9° | 104.1° |
| C22 | C23 | O13 | 107.6° | 110.5° |
| C23 | C22 | O12 | 112.9° | 110.5° |
| C23 | C22 | C16 | 101.6° | 104.1° |
| C22 | C23 | H3 | 112.4° | 110.5° |
| C23 | C22 | H4 | 110.5° | 110.5° |
| C15 | C23 | O13 | 107.0° | 110.5° |
| C23 | C15 | O11 | 106.1° | 104.8° |
| C15 | C23 | H3 | 112.6° | 110.5° |
| C23 | C15 | H11 | 110.3° | 110.4° |
| C23 | O13 | P2 | 130.9° | 122.9° |
| O13 | C23 | H3 | 114.4° | 110.6° |
| N3 | C17 | N2 | 108.4° | 110.0° |
| C17 | N3 | C18 | 108.4° | 109.4° |
| N3 | C17 | H10 | 125.8° | 125.0° |
| C17 | N2 | C16 | 127.9° | 126.3° |
| C17 | N2 | C21 | 108.7° | 107.4° |
| N2 | C17 | H10 | 125.8° | 125.0° |
| O12 | C22 | C16 | 108.5° | 110.5° |
| O12 | C22 | H4 | 112.2° | 110.5° |
| C22 | O12 | H5 | 109.5° | 114.0° |
| C22 | C16 | O11 | 106.2° | 104.8° |
| C22 | C16 | N2 | 115.1° | 110.4° |
| C16 | C22 | H4 | 110.6° | 110.6° |
| C22 | C16 | H6 | 108.0° | 110.4° |
| C15 | O11 | C16 | 110.8° | 105.3° |
| O11 | C15 | H11 | 111.6° | 110.3° |
| N3 | C18 | C21 | 106.6° | 107.1° |
| N3 | C18 | C19 | 134.1° | 134.7° |
| O14 | P2 | O15 | 112.1° | 109.5° |
| O14 | P2 | O13 | 103.4° | 109.5° |
| O14 | P2 | O16 | 111.2° | 109.5° |
| O15 | P2 | O13 | 114.2° | 109.5° |
| O15 | P2 | O16 | 110.5° | 109.5° |
| P2 | O15 | H1 | 109.5° | 114.0° |
| O11 | C16 | N2 | 109.3° | 110.5° |
| O11 | C16 | H6 | 109.5° | 110.3° |
| O13 | P2 | O16 | 105.2° | 109.4° |
| C16 | N2 | C21 | 123.4° | 126.3° |
| N2 | C16 | H6 | 108.6° | 110.3° |
| N2 | C21 | C18 | 107.9° | 106.0° |
| N2 | C21 | N6 | 133.5° | 134.9° |
| P2 | O16 | H2 | 109.5° | 114.0° |
| C21 | C18 | C19 | 119.3° | 118.2° |
| C18 | C21 | N6 | 118.6° | 119.1° |
| C18 | C19 | N4 | 120.5° | 120.8° |
| C18 | C19 | N5 | 118.4° | 118.4° |
| C21 | N6 | C20 | 121.2° | 120.6° |
| N4 | C19 | N5 | 121.1° | 120.8° |
| C19 | N4 | H8 | 109.5° | 120.0° |
| C19 | N4 | H9 | 109.5° | 120.0° |
| C19 | N5 | C20 | 121.6° | 121.2° |
| N6 | C20 | N5 | 120.9° | 122.4° |
| N6 | C20 | H7 | 119.6° | 118.8° |
| N5 | C20 | H7 | 119.5° | 118.8° |
| H8 | N4 | H9 | 109.4° | 120.0° |
| H12 | C14 | H13 | 109.5° | 109.4° |
| H16 | C13 | H17 | 109.5° | 109.5° |
| H18 | C11 | H19 | 109.5° | 109.5° |
| H18 | C11 | H20 | 109.5° | 109.4° |
| H19 | C11 | H20 | 109.5° | 109.5° |
| H21 | C12 | H22 | 109.4° | 109.5° |
| H21 | C12 | H23 | 109.5° | 109.5° |
| H22 | C12 | H23 | 109.4° | 109.5° |
| H27 | C7 | H28 | 109.5° | 109.5° |
| H29 | C6 | H30 | 109.5° | 109.4° |
| H32 | C4 | H33 | 109.4° | 109.5° |
| H34 | C3 | H35 | 109.5° | 109.4° |
| H36 | C1 | H37 | 109.4° | 109.5° |
| H38 | C | H39 | 109.5° | 109.5° |
| H38 | C | H40 | 109.5° | 109.5° |
| H39 | C | H40 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5 | P | O4 | C13 | 49.1° | 54.9° |
| O5 | P | O4 | O6 | 125.4° | 120.0° |
| O5 | P | O4 | O7 | 114.6° | 120.0° |
| O5 | P | O6 | O7 | 126.2° | 120.0° |
| O5 | P | O7 | P1 | 79.1° | 40.0° |
| O5 | P | O6 | H15 | 0.0° | 180.0° |
| C | C1 | C2 | H36 | 120.5° | 120.0° |
| C | C1 | C2 | H37 | 120.5° | 120.0° |
| C | C1 | C2 | S | 19.9° | 180.0° |
| C | C1 | C2 | O | 160.4° | 0.0° |
| C | C1 | H36 | H37 | 118.5° | 120.0° |
| C1 | C | H38 | H39 | 120.0° | 120.0° |
| C1 | C | H38 | H40 | 120.0° | 120.0° |
| C1 | C | H39 | H40 | 120.0° | 120.0° |
| O9 | P1 | O7 | P | 34.9° | 40.0° |
| O9 | P1 | O7 | O8 | 120.0° | 120.0° |
| O9 | P1 | O7 | O10 | 123.0° | 120.0° |
| O9 | P1 | O8 | O10 | 127.7° | 120.0° |
| O9 | P1 | O10 | C14 | 91.2° | 55.0° |
| O9 | P1 | O8 | H14 | 0.0° | 180.0° |
| O4 | C13 | C10 | H16 | 120.4° | 120.1° |
| O4 | C13 | C10 | H17 | 120.4° | 119.9° |
| O4 | C13 | C10 | C12 | 64.4° | 60.0° |
| C13 | O4 | P | O6 | 174.5° | 65.0° |
| C13 | O4 | P | O7 | 65.6° | 175.0° |
| O4 | C13 | C10 | C11 | 175.4° | 59.9° |
| O4 | C13 | C10 | C9 | 58.5° | 180.0° |
| O4 | C13 | H16 | H17 | 118.9° | 120.0° |
| C13 | C10 | C12 | C11 | 121.0° | 120.0° |
| C13 | C10 | C12 | C9 | 122.0° | 120.0° |
| C10 | C13 | O4 | P | 171.6° | 180.0° |
| C13 | C10 | C11 | C9 | 120.8° | 120.1° |
| C13 | C10 | C9 | O3 | 50.6° | 65.5° |
| C13 | C10 | C9 | C8 | 175.0° | 54.4° |
| C10 | C13 | H16 | H17 | 118.8° | 119.9° |
| C13 | C10 | C11 | H18 | 180.0° | 66.3° |
| C13 | C10 | C11 | H19 | 60.0° | 173.7° |
| C13 | C10 | C11 | H20 | 60.0° | 53.6° |
| C13 | C10 | C12 | H21 | 180.0° | 64.6° |
| C13 | C10 | C12 | H22 | 60.0° | 175.4° |
| C13 | C10 | C12 | H23 | 60.0° | 55.4° |
| C13 | C10 | C9 | H24 | 66.4° | 174.5° |
| C12 | C10 | C11 | C9 | 121.7° | 119.9° |
| C12 | C10 | C9 | O3 | 169.5° | 54.4° |
| C12 | C10 | C9 | C8 | 66.1° | 174.4° |
| C12 | C10 | C13 | H16 | 175.2° | 60.1° |
| C12 | C10 | C13 | H17 | 56.0° | 180.0° |
| C12 | C10 | C11 | H18 | 62.5° | 53.7° |
| C12 | C10 | C11 | H19 | 177.5° | 66.3° |
| C12 | C10 | C11 | H20 | 57.5° | 173.6° |
| C10 | C12 | H21 | H22 | 120.0° | 120.0° |
| C10 | C12 | H21 | H23 | 120.0° | 120.0° |
| C10 | C12 | H22 | H23 | 120.0° | 120.0° |
| C12 | C10 | C9 | H24 | 52.4° | 65.6° |
| O4 | P | O6 | O7 | 114.4° | 120.0° |
| O4 | P | O7 | P1 | 168.9° | 160.0° |
| O4 | P | O6 | H15 | 119.4° | 60.0° |
| P | O4 | C13 | H16 | 51.2° | 60.0° |
| P | O4 | C13 | H17 | 68.0° | 60.1° |
| O6 | P | O7 | P1 | 50.5° | 80.0° |
| P | O7 | P1 | O8 | 154.9° | 80.0° |
| P | O7 | P1 | O10 | 88.2° | 160.0° |
| O7 | P | O6 | H15 | 126.2° | 60.0° |
| C11 | C10 | C9 | O3 | 70.3° | 174.4° |
| C11 | C10 | C9 | C8 | 54.1° | 65.7° |
| C11 | C10 | C13 | H16 | 55.1° | 180.0° |
| C11 | C10 | C13 | H17 | 64.2° | 60.0° |
| C10 | C11 | H18 | H19 | 120.0° | 120.1° |
| C10 | C11 | H18 | H20 | 120.0° | 120.0° |
| C10 | C11 | H19 | H20 | 120.0° | 120.0° |
| C11 | C10 | C12 | H21 | 59.0° | 175.4° |
| C11 | C10 | C12 | H22 | 61.0° | 55.4° |
| C11 | C10 | C12 | H23 | 179.0° | 64.6° |
| C11 | C10 | C9 | H24 | 172.6° | 54.4° |
| C1 | C2 | S | O | 179.7° | 180.0° |
| C1 | C2 | S | C3 | 171.6° | 180.0° |
| C2 | C1 | H36 | H37 | 118.5° | 120.0° |
| C2 | C1 | C | H38 | 180.0° | 180.0° |
| C2 | C1 | C | H39 | 60.0° | 59.9° |
| C2 | C1 | C | H40 | 60.0° | 60.0° |
| C10 | C9 | O3 | C8 | 124.3° | 120.0° |
| C10 | C9 | O3 | H24 | 116.0° | 120.1° |
| C10 | C9 | C8 | H24 | 118.4° | 120.1° |
| C10 | C9 | C8 | O2 | 67.4° | 111.5° |
| C10 | C9 | C8 | N1 | 112.3° | 68.5° |
| C9 | C10 | C13 | H16 | 61.9° | 59.9° |
| C9 | C10 | C13 | H17 | 178.9° | 60.0° |
| C9 | C10 | C11 | H18 | 59.2° | 173.7° |
| C9 | C10 | C11 | H19 | 60.8° | 53.6° |
| C9 | C10 | C11 | H20 | 179.2° | 66.4° |
| C9 | C10 | C12 | H21 | 58.0° | 55.4° |
| C9 | C10 | C12 | H22 | 178.0° | 64.6° |
| C9 | C10 | C12 | H23 | 62.1° | 175.4° |
| C10 | C9 | O3 | H25 | 180.0° | 60.0° |
| O7 | P1 | O8 | O10 | 116.4° | 120.0° |
| O7 | P1 | O10 | C14 | 151.9° | 175.0° |
| O7 | P1 | O8 | H14 | 116.0° | 60.0° |
| O8 | P1 | O10 | C14 | 34.7° | 65.0° |
| P1 | O10 | C14 | C15 | 170.6° | 180.0° |
| P1 | O10 | C14 | H12 | 69.2° | 60.0° |
| P1 | O10 | C14 | H13 | 50.3° | 60.0° |
| O10 | P1 | O8 | H14 | 127.7° | 60.0° |
| C2 | S | C3 | C4 | 78.8° | 180.0° |
| C2 | S | C3 | H34 | 161.2° | 60.0° |
| C2 | S | C3 | H35 | 41.3° | 60.0° |
| S | C2 | C1 | H36 | 100.6° | 60.0° |
| S | C2 | C1 | H37 | 140.4° | 60.0° |
| O | C2 | S | C3 | 8.1° | 0.0° |
| O | C2 | C1 | H36 | 79.1° | 120.0° |
| O | C2 | C1 | H37 | 39.9° | 120.0° |
| S | C3 | C4 | N | 76.9° | 180.0° |
| S | C3 | C4 | H34 | 120.1° | 120.0° |
| S | C3 | C4 | H35 | 120.1° | 120.0° |
| S | C3 | C4 | H32 | 43.5° | 60.0° |
| S | C3 | C4 | H33 | 162.7° | 60.0° |
| S | C3 | H34 | H35 | 119.8° | 119.9° |
| O3 | C9 | C8 | H24 | 120.4° | 119.9° |
| O3 | C9 | C8 | O2 | 171.4° | 8.5° |
| O3 | C9 | C8 | N1 | 8.9° | 171.5° |
| C9 | C8 | O2 | N1 | 179.7° | 180.0° |
| C9 | C8 | N1 | C7 | 177.5° | 175.6° |
| C8 | C9 | O3 | H25 | 55.6° | 60.0° |
| C9 | C8 | N1 | H26 | 2.5° | 4.5° |
| O10 | C14 | C15 | H12 | 120.3° | 120.1° |
| O10 | C14 | C15 | H13 | 120.2° | 120.0° |
| O10 | C14 | C15 | C23 | 41.8° | 175.0° |
| O10 | C14 | C15 | O11 | 73.7° | 69.6° |
| O10 | C14 | C15 | H11 | 164.5° | 52.6° |
| O10 | C14 | H12 | H13 | 119.3° | 120.0° |
| O2 | C8 | N1 | C7 | 2.9° | 4.4° |
| O2 | C8 | C9 | H24 | 51.0° | 128.4° |
| O2 | C8 | N1 | H26 | 177.2° | 175.5° |
| C8 | N1 | C7 | C6 | 85.8° | 180.0° |
| C8 | N1 | C7 | H26 | 180.0° | 179.9° |
| N1 | C8 | C9 | H24 | 129.3° | 51.5° |
| C8 | N1 | C7 | H27 | 153.7° | 60.0° |
| C8 | N1 | C7 | H28 | 34.6° | 60.0° |
| C4 | N | C5 | H31 | 180.0° | 180.0° |
| C4 | N | C5 | C6 | 175.8° | 180.0° |
| N | C4 | C3 | H32 | 120.4° | 120.0° |
| N | C4 | C3 | H33 | 120.4° | 120.0° |
| C4 | N | C5 | O1 | 4.9° | 0.0° |
| N | C4 | H32 | H33 | 118.8° | 120.1° |
| N | C4 | C3 | H34 | 43.2° | 60.0° |
| N | C4 | C3 | H35 | 163.0° | 60.0° |
| N | C5 | C6 | O1 | 179.4° | 180.0° |
| N | C5 | C6 | C7 | 179.2° | 180.0° |
| C5 | N | C4 | C3 | 100.1° | 180.0° |
| N | C5 | C6 | H29 | 58.6° | 60.0° |
| N | C5 | C6 | H30 | 60.2° | 60.0° |
| C5 | N | C4 | H32 | 139.5° | 60.0° |
| C5 | N | C4 | H33 | 20.4° | 60.0° |
| C14 | C15 | C23 | C22 | 87.4° | 142.8° |
| C14 | C15 | C23 | O11 | 116.1° | 118.8° |
| C14 | C15 | C23 | H11 | 122.8° | 122.4° |
| C14 | C15 | C23 | O13 | 159.8° | 98.6° |
| C14 | C15 | O11 | H11 | 121.0° | 122.3° |
| C14 | C15 | O11 | C16 | 108.9° | 159.4° |
| C14 | C15 | C23 | H3 | 33.3° | 24.2° |
| C15 | C14 | H12 | H13 | 119.3° | 119.9° |
| C5 | C6 | C7 | H29 | 120.6° | 120.0° |
| C5 | C6 | C7 | H30 | 120.6° | 120.0° |
| C5 | C6 | C7 | N1 | 173.1° | 180.0° |
| C5 | C6 | C7 | H27 | 52.7° | 60.0° |
| C5 | C6 | C7 | H28 | 66.4° | 60.0° |
| C5 | C6 | H29 | H30 | 118.1° | 120.0° |
| C6 | C5 | N | H31 | 4.2° | 0.0° |
| C6 | C7 | N1 | H27 | 120.4° | 120.0° |
| C6 | C7 | N1 | H28 | 120.4° | 120.0° |
| C7 | C6 | C5 | O1 | 1.4° | 0.0° |
| C6 | C7 | N1 | H26 | 94.2° | 0.1° |
| C6 | C7 | H27 | H28 | 118.6° | 120.0° |
| C7 | C6 | H29 | H30 | 118.1° | 120.0° |
| N1 | C7 | H27 | H28 | 118.7° | 120.0° |
| N1 | C7 | C6 | H29 | 66.3° | 60.0° |
| N1 | C7 | C6 | H30 | 52.5° | 60.0° |
| C3 | C4 | N | H31 | 79.9° | 0.0° |
| C3 | C4 | H32 | H33 | 118.8° | 120.0° |
| C4 | C3 | H34 | H35 | 119.8° | 120.0° |
| O1 | C5 | C6 | H29 | 122.1° | 120.0° |
| O1 | C5 | C6 | H30 | 119.1° | 120.0° |
| O1 | C5 | N | H31 | 175.1° | 180.0° |
| C22 | C23 | C15 | O13 | 112.9° | 118.6° |
| C22 | C23 | C15 | H3 | 120.6° | 118.6° |
| C22 | C23 | O13 | H3 | 125.6° | 122.7° |
| C23 | C22 | O12 | C16 | 111.9° | 114.7° |
| C23 | C22 | O12 | H4 | 125.6° | 122.6° |
| C23 | C22 | C16 | H4 | 117.3° | 118.7° |
| C22 | C23 | C15 | O11 | 28.7° | 24.0° |
| C23 | C22 | C16 | O11 | 30.9° | 24.0° |
| C22 | C23 | O13 | P2 | 161.0° | 121.5° |
| C23 | C22 | C16 | N2 | 152.0° | 142.9° |
| C23 | C22 | O12 | H5 | 180.0° | 179.9° |
| C23 | C22 | C16 | H6 | 86.6° | 94.8° |
| C22 | C23 | C15 | H11 | 149.8° | 94.8° |
| C15 | C23 | O13 | H3 | 125.5° | 122.7° |
| C15 | C23 | C22 | O12 | 151.5° | 118.6° |
| C15 | C23 | C22 | C16 | 35.5° | 0.0° |
| C23 | C15 | O11 | H11 | 120.2° | 118.9° |
| C23 | C15 | O11 | C16 | 9.9° | 40.5° |
| C15 | C23 | O13 | P2 | 90.1° | 123.9° |
| C15 | C23 | C22 | H4 | 82.0° | 118.8° |
| C23 | C15 | C14 | H12 | 78.5° | 55.0° |
| C23 | C15 | C14 | H13 | 162.0° | 64.9° |
| O13 | C23 | C22 | O12 | 39.2° | 0.0° |
| O13 | C23 | C22 | C16 | 76.9° | 118.6° |
| O13 | C23 | C15 | O11 | 84.1° | 142.6° |
| C23 | O13 | P2 | O14 | 75.8° | 55.0° |
| C23 | O13 | P2 | O15 | 46.2° | 65.0° |
| C23 | O13 | P2 | O16 | 167.5° | 175.0° |
| O13 | C23 | C22 | H4 | 165.7° | 122.6° |
| O13 | C23 | C15 | H11 | 37.0° | 23.8° |
| N3 | C17 | N2 | H10 | 180.0° | 179.6° |
| N3 | C17 | N2 | C16 | 178.8° | 179.8° |
| N3 | C17 | N2 | C21 | 0.4° | 0.4° |
| C17 | N3 | C18 | C21 | 0.0° | 0.2° |
| C17 | N3 | C18 | C19 | 179.2° | 179.8° |
| C17 | N2 | C16 | C22 | 28.9° | 95.3° |
| N2 | C17 | N3 | C18 | 0.3° | 0.4° |
| C17 | N2 | C16 | O11 | 90.5° | 20.1° |
| C17 | N2 | C16 | C21 | 178.1° | 179.7° |
| C17 | N2 | C21 | C18 | 0.4° | 0.3° |
| C17 | N2 | C21 | N6 | 179.2° | 179.7° |
| C17 | N2 | C16 | H6 | 150.1° | 142.4° |
| O12 | C22 | C16 | H4 | 123.5° | 122.6° |
| O12 | C22 | C16 | O11 | 150.1° | 142.6° |
| O12 | C22 | C16 | N2 | 88.8° | 98.5° |
| O12 | C22 | C23 | H3 | 87.6° | 122.7° |
| O12 | C22 | C16 | H6 | 32.7° | 23.8° |
| C22 | C16 | O11 | C15 | 13.6° | 40.5° |
| C22 | C16 | O11 | N2 | 124.7° | 118.9° |
| C22 | C16 | O11 | H6 | 116.4° | 118.9° |
| C22 | C16 | N2 | H6 | 121.2° | 122.3° |
| C22 | C16 | N2 | C21 | 152.9° | 85.0° |
| C16 | C22 | C23 | H3 | 156.3° | 118.6° |
| C16 | C22 | O12 | H5 | 68.1° | 65.4° |
| C15 | O11 | C16 | N2 | 138.3° | 159.4° |
| O11 | C15 | C23 | H3 | 149.4° | 94.6° |
| C15 | O11 | C16 | H6 | 102.9° | 78.3° |
| O11 | C15 | C14 | H12 | 166.0° | 170.3° |
| O11 | C15 | C14 | H13 | 46.5° | 50.5° |
| N3 | C18 | C21 | N2 | 0.3° | 0.0° |
| N3 | C18 | C21 | C19 | 179.3° | 180.0° |
| N3 | C18 | C21 | N6 | 179.5° | 180.0° |
| N3 | C18 | C19 | N4 | 1.4° | 0.0° |
| N3 | C18 | C19 | N5 | 179.3° | 180.0° |
| C18 | N3 | C17 | H10 | 179.7° | 180.0° |
| O14 | P2 | O15 | O13 | 117.2° | 120.0° |
| O14 | P2 | O15 | O16 | 124.6° | 120.0° |
| O14 | P2 | O13 | O16 | 116.7° | 120.0° |
| O14 | P2 | O15 | H1 | 0.0° | 180.0° |
| O14 | P2 | O16 | H2 | 0.0° | 60.0° |
| O15 | P2 | O13 | O16 | 121.3° | 120.0° |
| O15 | P2 | O16 | H2 | 125.1° | 60.0° |
| O11 | C16 | N2 | H6 | 119.4° | 122.3° |
| O11 | C16 | N2 | C21 | 87.7° | 159.6° |
| O11 | C16 | C22 | H4 | 86.5° | 94.7° |
| C16 | O11 | C15 | H11 | 130.2° | 78.3° |
| O13 | P2 | O15 | H1 | 117.1° | 60.0° |
| O13 | P2 | O16 | H2 | 111.2° | 180.0° |
| P2 | O13 | C23 | H3 | 35.3° | 1.2° |
| C16 | N2 | C21 | C18 | 178.9° | 180.0° |
| C16 | N2 | C21 | N6 | 0.8° | 0.0° |
| N2 | C16 | C22 | H4 | 34.6° | 24.2° |
| C16 | N2 | C17 | H10 | 1.2° | 0.3° |
| N2 | C21 | C18 | N6 | 179.7° | 180.0° |
| N2 | C21 | C18 | C19 | 179.1° | 180.0° |
| N2 | C21 | N6 | C20 | 179.3° | 180.0° |
| C21 | N2 | C16 | H6 | 31.8° | 37.3° |
| C21 | N2 | C17 | H10 | 179.6° | 180.0° |
| O16 | P2 | O15 | H1 | 124.6° | 60.0° |
| C21 | C18 | C19 | N4 | 179.5° | 180.0° |
| C21 | C18 | C19 | N5 | 0.2° | 0.0° |
| C18 | C21 | N6 | C20 | 1.0° | 0.0° |
| C19 | C18 | C21 | N6 | 1.2° | 0.0° |
| C18 | C19 | N4 | N5 | 179.3° | 180.0° |
| C18 | C19 | N5 | C20 | 1.0° | 0.0° |
| C18 | C19 | N4 | H8 | 179.3° | 180.0° |
| C18 | C19 | N4 | H9 | 59.3° | 0.0° |
| C21 | N6 | C20 | N5 | 0.2° | 0.0° |
| C21 | N6 | C20 | H7 | 179.8° | 179.9° |
| N4 | C19 | N5 | C20 | 178.2° | 180.0° |
| C19 | N4 | H8 | H9 | 120.0° | 180.0° |
| C19 | N5 | C20 | N6 | 1.3° | 0.0° |
| C19 | N5 | C20 | H7 | 178.7° | 180.0° |
| N5 | C19 | N4 | H8 | 0.0° | 0.0° |
| N5 | C19 | N4 | H9 | 120.0° | 180.0° |
| N6 | C20 | N5 | H7 | 180.0° | 179.9° |
| H3 | C23 | C22 | H4 | 38.9° | 0.2° |
| H3 | C23 | C15 | H11 | 89.5° | 146.6° |
| H4 | C22 | O12 | H5 | 54.4° | 57.4° |
| H4 | C22 | C16 | H6 | 156.1° | 146.5° |
| H11 | C15 | C14 | H12 | 44.3° | 67.4° |
| H11 | C15 | C14 | H13 | 75.2° | 172.7° |
| H18 | C11 | H19 | H20 | 120.0° | 119.9° |
| H21 | C12 | H22 | H23 | 120.0° | 120.0° |
| H24 | C9 | O3 | H25 | 64.0° | 180.0° |
| H26 | N1 | C7 | H27 | 26.2° | 120.0° |
| H26 | N1 | C7 | H28 | 145.4° | 120.0° |
| H27 | C7 | C6 | H29 | 173.3° | 180.0° |
| H27 | C7 | C6 | H30 | 67.9° | 60.0° |
| H28 | C7 | C6 | H29 | 54.2° | 60.0° |
| H28 | C7 | C6 | H30 | 173.0° | 180.0° |
| H31 | N | C4 | H32 | 40.5° | 120.0° |
| H31 | N | C4 | H33 | 159.6° | 120.0° |
| H32 | C4 | C3 | H34 | 163.6° | 180.0° |
| H32 | C4 | C3 | H35 | 76.6° | 60.0° |
| H33 | C4 | C3 | H34 | 77.3° | 60.1° |
| H33 | C4 | C3 | H35 | 42.6° | 180.0° |
| H36 | C1 | C | H38 | 59.5° | 60.0° |
| H36 | C1 | C | H39 | 60.5° | 180.0° |
| H36 | C1 | C | H40 | 179.5° | 60.0° |
| H37 | C1 | C | H38 | 59.5° | 60.0° |
| H37 | C1 | C | H39 | 179.5° | 60.0° |
| H37 | C1 | C | H40 | 60.5° | 180.0° |
| H38 | C | H39 | H40 | 120.0° | 120.0° |
