A1IKQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.51Å | 1.50Å | |
| C1 | C2 | doub | 1.35Å | 1.35Å | |
| C2 | N | sing | 1.37Å | 1.38Å | |
| C3 | N | sing | 1.46Å | 1.48Å | |
| C3 | C4 | sing | 1.55Å | 1.51Å | |
| C4 | C5 | sing | 1.55Å | 1.53Å | |
| O | C5 | sing | 1.43Å | 1.47Å | |
| P | O | sing | 1.61Å | 1.58Å | |
| O1 | P | doub | 1.48Å | 1.48Å | |
| S | P | sing | 2.12Å | 2.03Å | |
| O2 | P | sing | 1.61Å | 1.57Å | |
| C6 | O2 | sing | 1.43Å | 1.43Å | |
| C7 | C6 | sing | 1.53Å | 1.51Å | |
| C7 | C8 | sing | 1.56Å | 1.53Å | |
| C8 | O3 | sing | 1.44Å | 1.44Å | |
| O3 | C9 | sing | 1.46Å | 1.43Å | |
| C10 | C9 | sing | 1.59Å | 1.53Å | |
| O4 | C10 | sing | 1.44Å | 1.43Å | |
| C7 | O4 | sing | 1.46Å | 1.46Å | |
| N1 | C10 | sing | 1.47Å | 1.47Å | |
| N1 | C11 | sing | 1.36Å | 1.38Å | |
| C11 | C12 | doub | 1.35Å | 1.34Å | |
| C13 | C12 | sing | 1.51Å | 1.51Å | |
| C12 | C14 | sing | 1.41Å | 1.44Å | |
| C14 | N2 | doub | 1.33Å | 1.34Å | |
| N2 | C15 | sing | 1.33Å | 1.36Å | |
| C15 | N1 | sing | 1.34Å | 1.40Å | |
| O5 | C15 | doub | 1.22Å | 1.23Å | |
| N3 | C14 | sing | 1.38Å | 1.34Å | |
| C9 | C16 | sing | 1.57Å | 1.53Å | |
| C16 | C7 | sing | 1.57Å | 1.53Å | |
| O6 | C16 | sing | 1.43Å | 1.45Å | |
| P1 | O6 | sing | 1.61Å | 1.59Å | |
| O7 | P1 | doub | 1.48Å | 1.49Å | |
| S1 | P1 | sing | 2.12Å | 1.92Å | |
| O8 | P1 | sing | 1.61Å | 1.57Å | |
| C17 | O8 | sing | 1.43Å | 1.44Å | |
| C18 | C17 | sing | 1.53Å | 1.50Å | |
| C18 | O9 | sing | 1.44Å | 1.45Å | |
| O9 | C19 | sing | 1.44Å | 1.43Å | |
| C19 | C20 | sing | 1.54Å | 1.52Å | |
| C20 | C21 | sing | 1.55Å | 1.52Å | |
| C21 | C18 | sing | 1.55Å | 1.52Å | |
| O10 | C21 | sing | 1.43Å | 1.46Å | |
| P2 | O10 | sing | 1.61Å | 1.56Å | |
| O11 | P2 | doub | 1.48Å | 1.49Å | |
| S2 | P2 | sing | 2.12Å | 1.94Å | |
| O12 | P2 | sing | 1.61Å | 1.58Å | |
| C22 | O12 | sing | 1.43Å | 1.45Å | |
| C23 | C22 | sing | 1.53Å | 1.51Å | |
| C23 | O13 | sing | 1.44Å | 1.44Å | |
| O13 | C24 | sing | 1.44Å | 1.42Å | |
| C24 | C25 | sing | 1.54Å | 1.53Å | |
| C25 | C26 | sing | 1.55Å | 1.52Å | |
| C26 | C23 | sing | 1.55Å | 1.53Å | |
| O14 | C26 | sing | 1.43Å | 1.43Å | |
| N4 | C24 | sing | 1.47Å | 1.48Å | |
| N4 | C27 | sing | 1.36Å | 1.38Å | |
| C27 | C28 | doub | 1.35Å | 1.35Å | |
| C28 | C29 | sing | 1.41Å | 1.43Å | |
| C29 | N5 | doub | 1.33Å | 1.35Å | |
| N5 | C30 | sing | 1.33Å | 1.37Å | |
| C30 | N4 | sing | 1.35Å | 1.41Å | |
| O15 | C30 | doub | 1.22Å | 1.24Å | |
| N6 | C29 | sing | 1.38Å | 1.34Å | |
| N7 | C19 | sing | 1.46Å | 1.46Å | |
| N7 | C31 | sing | 1.36Å | 1.37Å | Aromatic |
| C31 | N8 | doub | 1.30Å | 1.31Å | Aromatic |
| N8 | C32 | sing | 1.35Å | 1.39Å | Aromatic |
| C32 | C33 | sing | 1.41Å | 1.41Å | Aromatic |
| N9 | C33 | sing | 1.38Å | 1.34Å | |
| C33 | N10 | doub | 1.33Å | 1.35Å | Aromatic |
| N10 | C34 | sing | 1.32Å | 1.34Å | Aromatic |
| C34 | N11 | doub | 1.32Å | 1.34Å | Aromatic |
| N11 | C35 | sing | 1.33Å | 1.34Å | Aromatic |
| C35 | N7 | sing | 1.37Å | 1.37Å | Aromatic |
| C32 | C35 | doub | 1.41Å | 1.39Å | Aromatic |
| C5 | C36 | sing | 1.54Å | 1.54Å | |
| C37 | C36 | sing | 1.53Å | 1.51Å | |
| O16 | C37 | sing | 1.43Å | 1.43Å | |
| C36 | O17 | sing | 1.44Å | 1.45Å | |
| O17 | C3 | sing | 1.44Å | 1.40Å | |
| N | C38 | sing | 1.35Å | 1.38Å | |
| O18 | C38 | doub | 1.22Å | 1.22Å | |
| C38 | N12 | sing | 1.35Å | 1.37Å | |
| N12 | C39 | sing | 1.35Å | 1.38Å | |
| C1 | C39 | sing | 1.42Å | 1.45Å | |
| C39 | O19 | doub | 1.22Å | 1.23Å | |
| C8 | H22 | sing | 1.09Å | 1.10Å | |
| C8 | H21 | sing | 1.09Å | 1.10Å | |
| C9 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C6 | H20 | sing | 1.09Å | 1.10Å | |
| C6 | H19 | sing | 1.09Å | 1.10Å | |
| N3 | H28 | sing | 0.97Å | 1.00Å | |
| N3 | H27 | sing | 0.97Å | 1.00Å | |
| C4 | H17 | sing | 1.09Å | 1.10Å | |
| C4 | H16 | sing | 1.09Å | 1.10Å | |
| C3 | H | sing | 1.09Å | 1.10Å | |
| C2 | H15 | sing | 1.08Å | 1.08Å | |
| C | H13 | sing | 1.09Å | 1.10Å | |
| C | H12 | sing | 1.09Å | 1.10Å | |
| C | H14 | sing | 1.09Å | 1.10Å | |
| N12 | H51 | sing | 0.97Å | 1.00Å | |
| C36 | H11 | sing | 1.09Å | 1.10Å | |
| C37 | H49 | sing | 1.09Å | 1.10Å | |
| C37 | H48 | sing | 1.09Å | 1.10Å | |
| O16 | H50 | sing | 0.97Å | 0.95Å | |
| S | H18 | sing | 1.34Å | 1.30Å | |
| C16 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H24 | sing | 1.09Å | 1.10Å | |
| C13 | H26 | sing | 1.09Å | 1.10Å | |
| C13 | H25 | sing | 1.09Å | 1.10Å | |
| C11 | H23 | sing | 1.08Å | 1.08Å | |
| S1 | H29 | sing | 1.35Å | 1.30Å | |
| C17 | H31 | sing | 1.09Å | 1.10Å | |
| C17 | H30 | sing | 1.09Å | 1.10Å | |
| C18 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C20 | H33 | sing | 1.09Å | 1.10Å | |
| C20 | H32 | sing | 1.09Å | 1.10Å | |
| C19 | H6 | sing | 1.09Å | 1.10Å | |
| C34 | H47 | sing | 1.08Å | 1.08Å | |
| N9 | H45 | sing | 0.97Å | 1.00Å | |
| N9 | H46 | sing | 0.97Å | 1.00Å | |
| C31 | H44 | sing | 1.08Å | 1.08Å | |
| S2 | H34 | sing | 1.34Å | 1.30Å | |
| C22 | H36 | sing | 1.09Å | 1.10Å | |
| C22 | H35 | sing | 1.09Å | 1.10Å | |
| C23 | H8 | sing | 1.09Å | 1.10Å | |
| C26 | H10 | sing | 1.09Å | 1.10Å | |
| O14 | H39 | sing | 0.97Å | 0.95Å | |
| C25 | H37 | sing | 1.09Å | 1.10Å | |
| C25 | H38 | sing | 1.09Å | 1.10Å | |
| C24 | H9 | sing | 1.09Å | 1.10Å | |
| N6 | H42 | sing | 0.97Å | 1.00Å | |
| N6 | H43 | sing | 0.97Å | 1.00Å | |
| C28 | H41 | sing | 1.08Å | 1.08Å | |
| C27 | H40 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | C2 | 123.1° | 120.5° |
| C | C1 | C39 | 118.6° | 120.4° |
| C1 | C | H13 | 109.5° | 109.5° |
| C1 | C | H12 | 109.5° | 109.5° |
| C1 | C | H14 | 109.4° | 109.5° |
| C1 | C2 | N | 123.1° | 119.7° |
| C2 | C1 | C39 | 118.2° | 119.1° |
| C1 | C2 | H15 | 118.4° | 120.1° |
| C2 | N | C3 | 122.5° | 119.7° |
| C2 | N | C38 | 121.3° | 120.6° |
| N | C2 | H15 | 118.4° | 120.2° |
| N | C3 | C4 | 113.6° | 110.6° |
| N | C3 | O17 | 108.9° | 110.6° |
| C3 | N | C38 | 115.8° | 119.7° |
| N | C3 | H | 109.3° | 110.6° |
| C3 | C4 | C5 | 103.7° | 102.1° |
| C4 | C3 | O17 | 105.7° | 103.5° |
| C3 | C4 | H17 | 110.9° | 111.0° |
| C3 | C4 | H16 | 110.9° | 111.0° |
| C4 | C3 | H | 108.9° | 110.6° |
| C4 | C5 | O | 109.2° | 110.6° |
| C4 | C5 | C36 | 104.9° | 104.2° |
| C4 | C5 | H1 | 108.5° | 110.5° |
| C5 | C4 | H17 | 110.9° | 110.9° |
| C5 | C4 | H16 | 110.9° | 110.8° |
| C5 | O | P | 121.3° | 123.0° |
| O | C5 | C36 | 116.3° | 110.5° |
| O | C5 | H1 | 109.3° | 110.5° |
| O | P | O1 | 110.2° | 109.5° |
| O | P | S | 106.2° | 109.5° |
| O | P | O2 | 102.8° | 109.5° |
| O1 | P | S | 117.6° | 109.5° |
| O1 | P | O2 | 109.1° | 109.5° |
| S | P | O2 | 109.9° | 109.4° |
| P | S | H18 | 102.0° | 103.0° |
| P | O2 | C6 | 127.8° | 123.0° |
| O2 | C6 | C7 | 107.9° | 109.4° |
| O2 | C6 | H20 | 109.8° | 109.5° |
| O2 | C6 | H19 | 109.9° | 109.5° |
| C6 | C7 | C8 | 118.3° | 116.5° |
| C6 | C7 | O4 | 112.4° | 116.3° |
| C6 | C7 | C16 | 116.8° | 116.7° |
| C7 | C6 | H20 | 109.9° | 109.4° |
| C7 | C6 | H19 | 109.9° | 109.5° |
| C7 | C8 | O3 | 103.1° | 105.4° |
| C8 | C7 | O4 | 106.9° | 103.9° |
| C8 | C7 | C16 | 100.5° | 99.0° |
| C7 | C8 | H22 | 111.0° | 110.3° |
| C7 | C8 | H21 | 111.0° | 110.3° |
| C8 | O3 | C9 | 106.8° | 106.9° |
| O3 | C8 | H22 | 111.0° | 110.3° |
| O3 | C8 | H21 | 111.1° | 110.2° |
| O3 | C9 | C10 | 104.4° | 103.9° |
| O3 | C9 | C16 | 104.5° | 101.2° |
| O3 | C9 | H2 | 116.8° | 117.0° |
| C9 | C10 | O4 | 102.9° | 105.0° |
| C9 | C10 | N1 | 114.9° | 111.2° |
| C10 | C9 | C16 | 99.1° | 98.6° |
| C10 | C9 | H2 | 114.9° | 116.8° |
| C9 | C10 | H3 | 108.6° | 109.7° |
| C10 | O4 | C7 | 107.4° | 107.0° |
| O4 | C10 | N1 | 110.9° | 110.3° |
| O4 | C10 | H3 | 110.0° | 110.3° |
| O4 | C7 | C16 | 99.7° | 102.0° |
| C10 | N1 | C11 | 122.2° | 119.8° |
| C10 | N1 | C15 | 117.5° | 119.9° |
| N1 | C10 | H3 | 109.3° | 110.2° |
| N1 | C11 | C12 | 122.6° | 119.3° |
| C11 | N1 | C15 | 120.2° | 120.4° |
| N1 | C11 | H23 | 118.7° | 120.4° |
| C11 | C12 | C13 | 123.2° | 120.6° |
| C11 | C12 | C14 | 115.9° | 118.9° |
| C12 | C11 | H23 | 118.7° | 120.3° |
| C13 | C12 | C14 | 121.0° | 120.5° |
| C12 | C13 | H24 | 109.5° | 109.5° |
| C12 | C13 | H26 | 109.5° | 109.5° |
| C12 | C13 | H25 | 109.5° | 109.5° |
| C12 | C14 | N2 | 122.0° | 119.6° |
| C12 | C14 | N3 | 120.3° | 120.2° |
| C14 | N2 | C15 | 121.0° | 120.7° |
| N2 | C14 | N3 | 117.6° | 120.2° |
| N2 | C15 | N1 | 118.3° | 121.1° |
| N2 | C15 | O5 | 122.4° | 119.4° |
| N1 | C15 | O5 | 119.2° | 119.5° |
| C14 | N3 | H28 | 120.0° | 120.0° |
| C14 | N3 | H27 | 120.0° | 120.0° |
| C9 | C16 | C7 | 92.3° | 93.2° |
| C9 | C16 | O6 | 112.8° | 112.6° |
| C16 | C9 | H2 | 115.0° | 116.7° |
| C9 | C16 | H4 | 111.9° | 112.6° |
| C7 | C16 | O6 | 113.4° | 111.8° |
| C7 | C16 | H4 | 111.8° | 113.3° |
| C16 | O6 | P1 | 121.9° | 123.0° |
| O6 | C16 | H4 | 113.0° | 112.2° |
| O6 | P1 | O7 | 105.4° | 109.5° |
| O6 | P1 | S1 | 110.0° | 109.5° |
| O6 | P1 | O8 | 102.1° | 109.4° |
| O7 | P1 | S1 | 119.8° | 109.5° |
| O7 | P1 | O8 | 111.5° | 109.4° |
| S1 | P1 | O8 | 106.6° | 109.5° |
| P1 | S1 | H29 | 102.0° | 103.0° |
| P1 | O8 | C17 | 122.9° | 123.0° |
| O8 | C17 | C18 | 111.9° | 109.5° |
| O8 | C17 | H31 | 108.9° | 109.5° |
| O8 | C17 | H30 | 108.9° | 109.5° |
| C17 | C18 | O9 | 110.5° | 110.6° |
| C17 | C18 | C21 | 113.7° | 110.6° |
| C18 | C17 | H31 | 108.9° | 109.5° |
| C18 | C17 | H30 | 108.9° | 109.5° |
| C17 | C18 | H5 | 109.6° | 110.5° |
| C18 | O9 | C19 | 109.6° | 106.9° |
| O9 | C18 | C21 | 102.9° | 103.5° |
| O9 | C18 | H5 | 110.4° | 110.7° |
| O9 | C19 | C20 | 105.8° | 107.3° |
| O9 | C19 | N7 | 109.4° | 110.0° |
| O9 | C19 | H6 | 109.8° | 109.9° |
| C19 | C20 | C21 | 100.4° | 104.2° |
| C20 | C19 | N7 | 113.6° | 109.8° |
| C19 | C20 | H33 | 111.7° | 110.5° |
| C19 | C20 | H32 | 111.7° | 110.6° |
| C20 | C19 | H6 | 108.7° | 109.9° |
| C20 | C21 | C18 | 100.9° | 102.1° |
| C20 | C21 | O10 | 113.8° | 110.9° |
| C20 | C21 | H7 | 110.1° | 110.9° |
| C21 | C20 | H33 | 111.7° | 110.5° |
| C21 | C20 | H32 | 111.7° | 110.5° |
| C18 | C21 | O10 | 110.6° | 110.9° |
| C21 | C18 | H5 | 109.5° | 110.8° |
| C18 | C21 | H7 | 110.1° | 111.0° |
| C21 | O10 | P2 | 125.5° | 123.0° |
| O10 | C21 | H7 | 110.9° | 110.8° |
| O10 | P2 | O11 | 112.3° | 109.5° |
| O10 | P2 | S2 | 112.5° | 109.5° |
| O10 | P2 | O12 | 99.2° | 109.5° |
| O11 | P2 | S2 | 115.6° | 109.5° |
| O11 | P2 | O12 | 107.7° | 109.5° |
| S2 | P2 | O12 | 108.0° | 109.5° |
| P2 | S2 | H34 | 102.0° | 103.0° |
| P2 | O12 | C22 | 127.7° | 123.0° |
| O12 | C22 | C23 | 107.9° | 109.4° |
| O12 | C22 | H36 | 109.9° | 109.5° |
| O12 | C22 | H35 | 109.9° | 109.5° |
| C22 | C23 | O13 | 109.1° | 110.6° |
| C22 | C23 | C26 | 114.2° | 110.6° |
| C23 | C22 | H36 | 109.9° | 109.4° |
| C23 | C22 | H35 | 109.9° | 109.5° |
| C22 | C23 | H8 | 109.3° | 110.6° |
| C23 | O13 | C24 | 110.2° | 107.0° |
| O13 | C23 | C26 | 105.0° | 103.5° |
| O13 | C23 | H8 | 110.1° | 110.6° |
| O13 | C24 | C25 | 107.3° | 107.3° |
| O13 | C24 | N4 | 108.2° | 109.9° |
| O13 | C24 | H9 | 109.9° | 110.0° |
| C24 | C25 | C26 | 104.3° | 104.2° |
| C25 | C24 | N4 | 113.8° | 109.9° |
| C24 | C25 | H37 | 110.8° | 110.5° |
| C24 | C25 | H38 | 110.8° | 110.6° |
| C25 | C24 | H9 | 108.5° | 109.9° |
| C25 | C26 | C23 | 102.6° | 102.1° |
| C25 | C26 | O14 | 110.8° | 111.0° |
| C25 | C26 | H10 | 110.4° | 110.9° |
| C26 | C25 | H37 | 110.7° | 110.5° |
| C26 | C25 | H38 | 110.8° | 110.5° |
| C23 | C26 | O14 | 110.5° | 110.9° |
| C26 | C23 | H8 | 109.0° | 110.7° |
| C23 | C26 | H10 | 110.4° | 110.9° |
| O14 | C26 | H10 | 111.8° | 110.8° |
| C26 | O14 | H39 | 109.5° | 114.0° |
| C24 | N4 | C27 | 121.6° | 119.8° |
| C24 | N4 | C30 | 117.9° | 119.8° |
| N4 | C24 | H9 | 109.1° | 109.8° |
| N4 | C27 | C28 | 121.3° | 119.3° |
| C27 | N4 | C30 | 120.4° | 120.4° |
| N4 | C27 | H40 | 119.4° | 120.3° |
| C27 | C28 | C29 | 117.6° | 119.0° |
| C27 | C28 | H41 | 121.2° | 120.5° |
| C28 | C27 | H40 | 119.4° | 120.4° |
| C28 | C29 | N5 | 121.6° | 119.6° |
| C28 | C29 | N6 | 120.3° | 120.2° |
| C29 | C28 | H41 | 121.2° | 120.5° |
| C29 | N5 | C30 | 120.4° | 120.7° |
| N5 | C29 | N6 | 118.1° | 120.2° |
| N5 | C30 | N4 | 118.7° | 121.1° |
| N5 | C30 | O15 | 122.3° | 119.5° |
| N4 | C30 | O15 | 119.0° | 119.5° |
| C29 | N6 | H42 | 120.0° | 120.0° |
| C29 | N6 | H43 | 120.0° | 120.0° |
| C19 | N7 | C31 | 128.9° | 126.3° |
| C19 | N7 | C35 | 125.3° | 126.3° |
| N7 | C19 | H6 | 109.5° | 109.9° |
| N7 | C31 | N8 | 114.1° | 110.0° |
| C31 | N7 | C35 | 105.6° | 107.4° |
| N7 | C31 | H44 | 123.0° | 125.0° |
| C31 | N8 | C32 | 103.7° | 109.4° |
| N8 | C31 | H44 | 122.9° | 125.0° |
| N8 | C32 | C33 | 132.4° | 134.7° |
| N8 | C32 | C35 | 110.6° | 107.2° |
| C32 | C33 | N9 | 123.8° | 120.8° |
| C32 | C33 | N10 | 117.6° | 118.5° |
| C33 | C32 | C35 | 116.9° | 118.1° |
| N9 | C33 | N10 | 118.6° | 120.8° |
| C33 | N9 | H45 | 109.5° | 120.0° |
| C33 | N9 | H46 | 109.5° | 120.0° |
| C33 | N10 | C34 | 118.9° | 121.2° |
| N10 | C34 | N11 | 128.7° | 122.4° |
| N10 | C34 | H47 | 115.6° | 118.8° |
| C34 | N11 | C35 | 111.1° | 120.7° |
| N11 | C34 | H47 | 115.7° | 118.8° |
| N11 | C35 | N7 | 127.4° | 134.9° |
| N11 | C35 | C32 | 126.7° | 119.1° |
| N7 | C35 | C32 | 105.9° | 106.0° |
| C5 | C36 | C37 | 114.2° | 109.9° |
| C5 | C36 | O17 | 105.4° | 107.3° |
| C36 | C5 | H1 | 108.3° | 110.5° |
| C5 | C36 | H11 | 108.8° | 109.9° |
| C36 | C37 | O16 | 111.2° | 109.4° |
| C37 | C36 | O17 | 109.2° | 109.9° |
| C37 | C36 | H11 | 109.1° | 110.0° |
| C36 | C37 | H49 | 109.0° | 109.5° |
| C36 | C37 | H48 | 109.1° | 109.5° |
| O16 | C37 | H49 | 109.0° | 109.4° |
| O16 | C37 | H48 | 109.0° | 109.5° |
| C37 | O16 | H50 | 109.5° | 114.0° |
| C36 | O17 | C3 | 107.9° | 107.0° |
| O17 | C36 | H11 | 110.0° | 109.9° |
| O17 | C3 | H | 110.4° | 110.8° |
| N | C38 | O18 | 122.7° | 119.5° |
| N | C38 | N12 | 115.0° | 120.9° |
| O18 | C38 | N12 | 122.3° | 119.6° |
| C38 | N12 | C39 | 126.9° | 120.3° |
| C38 | N12 | H51 | 116.5° | 119.8° |
| N12 | C39 | C1 | 115.4° | 119.4° |
| N12 | C39 | O19 | 119.7° | 120.3° |
| C39 | N12 | H51 | 116.5° | 119.9° |
| C1 | C39 | O19 | 124.8° | 120.3° |
| H22 | C8 | H21 | 109.5° | 110.3° |
| H20 | C6 | H19 | 109.5° | 109.5° |
| H28 | N3 | H27 | 120.0° | 119.9° |
| H17 | C4 | H16 | 109.5° | 110.8° |
| H13 | C | H12 | 109.5° | 109.5° |
| H13 | C | H14 | 109.5° | 109.4° |
| H12 | C | H14 | 109.5° | 109.5° |
| H49 | C37 | H48 | 109.5° | 109.5° |
| H24 | C13 | H26 | 109.5° | 109.4° |
| H24 | C13 | H25 | 109.5° | 109.5° |
| H26 | C13 | H25 | 109.5° | 109.5° |
| H31 | C17 | H30 | 109.5° | 109.4° |
| H33 | C20 | H32 | 109.5° | 110.4° |
| H45 | N9 | H46 | 109.5° | 120.1° |
| H36 | C22 | H35 | 109.5° | 109.5° |
| H37 | C25 | H38 | 109.5° | 110.5° |
| H42 | N6 | H43 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | C2 | C39 | 177.7° | 179.7° |
| C | C1 | C2 | N | 177.5° | 179.7° |
| C | C1 | C39 | N12 | 178.5° | 179.7° |
| C | C1 | C39 | O19 | 1.7° | 0.3° |
| C | C1 | C2 | H15 | 2.5° | 0.2° |
| C1 | C | H13 | H12 | 120.0° | 120.0° |
| C1 | C | H13 | H14 | 120.0° | 120.0° |
| C1 | C | H12 | H14 | 120.0° | 120.1° |
| C1 | C2 | N | H15 | 180.0° | 180.0° |
| C1 | C2 | N | C3 | 172.0° | 180.0° |
| C1 | C2 | N | C38 | 1.5° | 0.0° |
| C2 | C1 | C39 | N12 | 0.7° | 0.1° |
| C2 | C1 | C39 | O19 | 176.2° | 180.0° |
| C2 | C1 | C | H13 | 180.0° | 90.0° |
| C2 | C1 | C | H12 | 60.0° | 150.0° |
| C2 | C1 | C | H14 | 60.0° | 30.0° |
| C2 | N | C3 | C38 | 173.8° | 180.0° |
| C2 | N | C3 | C4 | 79.8° | 115.0° |
| C2 | N | C3 | O17 | 37.7° | 130.9° |
| C2 | N | C38 | O18 | 178.0° | 180.0° |
| C2 | N | C38 | N12 | 1.7° | 0.0° |
| N | C2 | C1 | C39 | 0.3° | 0.0° |
| C2 | N | C3 | H | 158.5° | 7.9° |
| N | C3 | C4 | O17 | 119.3° | 118.5° |
| N | C3 | C4 | H | 122.0° | 122.8° |
| N | C3 | C4 | C5 | 149.6° | 155.5° |
| N | C3 | O17 | C36 | 159.2° | 158.6° |
| N | C3 | O17 | H | 120.0° | 123.0° |
| C3 | N | C38 | O18 | 8.1° | 0.0° |
| C3 | N | C38 | N12 | 172.2° | 180.0° |
| N | C3 | C4 | H17 | 91.3° | 37.3° |
| N | C3 | C4 | H16 | 30.5° | 86.3° |
| C3 | N | C2 | H15 | 8.0° | 0.0° |
| C3 | C4 | C5 | H17 | 119.1° | 118.3° |
| C3 | C4 | C5 | H16 | 119.1° | 118.2° |
| C3 | C4 | C5 | O | 112.3° | 97.8° |
| C3 | C4 | C5 | C36 | 13.1° | 20.9° |
| C4 | C3 | O17 | C36 | 36.8° | 40.1° |
| C4 | C3 | O17 | H | 117.6° | 118.6° |
| C4 | C3 | N | C38 | 94.1° | 65.0° |
| C3 | C4 | C5 | H1 | 128.7° | 139.5° |
| C3 | C4 | H17 | H16 | 122.7° | 123.7° |
| C4 | C5 | O | C36 | 118.4° | 114.8° |
| C4 | C5 | O | H1 | 118.6° | 122.6° |
| C4 | C5 | O | P | 79.2° | 125.2° |
| C4 | C5 | C36 | H1 | 115.8° | 118.6° |
| C4 | C5 | C36 | C37 | 127.5° | 121.4° |
| C4 | C5 | C36 | O17 | 7.7° | 2.0° |
| C5 | C4 | C3 | O17 | 30.3° | 37.1° |
| C5 | C4 | H17 | H16 | 122.7° | 123.5° |
| C5 | C4 | C3 | H | 88.4° | 81.6° |
| C4 | C5 | C36 | H11 | 110.3° | 117.4° |
| C5 | O | P | O1 | 60.0° | 55.0° |
| C5 | O | P | S | 68.4° | 65.0° |
| C5 | O | P | O2 | 176.1° | 175.0° |
| O | C5 | C36 | H1 | 123.5° | 122.5° |
| O | C5 | C36 | C37 | 111.7° | 119.7° |
| O | C5 | C36 | O17 | 128.4° | 120.8° |
| O | C5 | C4 | H17 | 6.8° | 143.9° |
| O | C5 | C4 | H16 | 128.6° | 20.4° |
| O | C5 | C36 | H11 | 10.4° | 1.4° |
| O | P | O1 | S | 121.8° | 120.0° |
| O | P | O1 | O2 | 112.1° | 120.0° |
| O | P | S | O2 | 110.5° | 120.0° |
| O | P | O2 | C6 | 77.8° | 175.0° |
| P | O | C5 | C36 | 162.4° | 120.0° |
| P | O | C5 | H1 | 39.4° | 2.5° |
| O | P | S | H18 | 180.0° | 60.0° |
| O1 | P | S | O2 | 125.6° | 120.0° |
| O1 | P | O2 | C6 | 165.3° | 55.0° |
| O1 | P | S | H18 | 56.2° | 180.0° |
| S | P | O2 | C6 | 34.9° | 65.0° |
| P | O2 | C6 | C7 | 141.8° | 180.0° |
| P | O2 | C6 | H20 | 98.5° | 60.0° |
| P | O2 | C6 | H19 | 22.0° | 60.0° |
| O2 | P | S | H18 | 69.5° | 60.0° |
| O2 | C6 | C7 | H20 | 119.7° | 120.0° |
| O2 | C6 | C7 | H19 | 119.7° | 120.0° |
| O2 | C6 | C7 | C8 | 176.1° | 56.0° |
| O2 | C6 | C7 | O4 | 50.7° | 67.0° |
| O2 | C6 | C7 | C16 | 63.7° | 172.5° |
| O2 | C6 | H20 | H19 | 120.7° | 120.0° |
| C6 | C7 | C8 | O4 | 128.0° | 129.3° |
| C6 | C7 | C8 | C16 | 128.3° | 125.9° |
| C6 | C7 | C8 | O3 | 167.0° | 158.1° |
| C6 | C7 | O4 | C10 | 161.0° | 165.3° |
| C6 | C7 | O4 | C16 | 124.4° | 128.1° |
| C6 | C7 | C16 | C9 | 177.9° | 176.9° |
| C6 | C7 | C16 | O6 | 66.0° | 61.0° |
| C6 | C7 | C8 | H22 | 48.0° | 39.1° |
| C6 | C7 | C8 | H21 | 74.0° | 83.0° |
| C7 | C6 | H20 | H19 | 120.8° | 120.0° |
| C6 | C7 | C16 | H4 | 63.2° | 66.8° |
| C7 | C8 | O3 | H22 | 119.0° | 119.0° |
| C7 | C8 | O3 | H21 | 119.0° | 118.9° |
| C7 | C8 | O3 | C9 | 5.5° | 3.3° |
| C8 | C7 | O4 | C10 | 67.6° | 65.4° |
| C8 | C7 | O4 | C16 | 104.2° | 102.6° |
| C8 | C7 | C16 | C9 | 52.8° | 51.1° |
| C8 | C7 | C16 | O6 | 63.3° | 64.8° |
| C7 | C8 | H22 | H21 | 123.0° | 122.1° |
| C8 | C7 | C6 | H20 | 64.2° | 63.9° |
| C8 | C7 | C6 | H19 | 56.3° | 176.1° |
| C8 | C7 | C16 | H4 | 167.5° | 167.4° |
| C8 | O3 | C9 | C10 | 73.5° | 64.1° |
| O3 | C8 | C7 | O4 | 65.0° | 72.6° |
| C8 | O3 | C9 | C16 | 30.1° | 37.7° |
| O3 | C8 | C7 | C16 | 38.6° | 32.2° |
| O3 | C8 | H22 | H21 | 123.0° | 122.0° |
| C8 | O3 | C9 | H2 | 158.4° | 165.7° |
| O3 | C9 | C10 | C16 | 107.6° | 103.9° |
| O3 | C9 | C10 | H2 | 129.3° | 130.4° |
| O3 | C9 | C10 | O4 | 70.8° | 71.1° |
| O3 | C9 | C10 | N1 | 168.5° | 169.6° |
| O3 | C9 | C16 | H2 | 129.4° | 128.1° |
| O3 | C9 | C16 | C7 | 51.3° | 55.1° |
| O3 | C9 | C16 | O6 | 65.2° | 60.1° |
| C9 | O3 | C8 | H22 | 113.5° | 122.3° |
| C9 | O3 | C8 | H21 | 124.5° | 115.7° |
| O3 | C9 | C16 | H4 | 166.0° | 171.9° |
| O3 | C9 | C10 | H3 | 45.8° | 47.5° |
| C9 | C10 | O4 | N1 | 123.3° | 119.9° |
| C9 | C10 | O4 | H3 | 115.6° | 118.1° |
| C9 | C10 | O4 | C7 | 0.2° | 2.4° |
| C9 | C10 | N1 | H3 | 122.3° | 121.9° |
| C9 | C10 | N1 | C11 | 105.4° | 93.9° |
| C9 | C10 | N1 | C15 | 77.9° | 86.4° |
| C10 | C9 | C16 | H2 | 123.1° | 125.8° |
| C10 | C9 | C16 | C7 | 56.2° | 51.0° |
| C10 | C9 | C16 | O6 | 172.7° | 166.2° |
| C10 | C9 | C16 | H4 | 58.5° | 65.8° |
| O4 | C10 | N1 | H3 | 121.5° | 122.1° |
| O4 | C10 | N1 | C11 | 10.7° | 22.2° |
| O4 | C10 | N1 | C15 | 166.0° | 157.5° |
| O4 | C10 | C9 | C16 | 36.8° | 32.8° |
| C10 | O4 | C7 | C16 | 36.6° | 37.2° |
| O4 | C10 | C9 | H2 | 159.9° | 158.5° |
| C7 | O4 | C10 | N1 | 123.2° | 122.3° |
| O4 | C7 | C16 | C9 | 56.5° | 55.3° |
| O4 | C7 | C16 | O6 | 172.6° | 171.1° |
| O4 | C7 | C8 | H22 | 176.0° | 168.3° |
| O4 | C7 | C8 | H21 | 54.0° | 46.3° |
| O4 | C7 | C6 | H20 | 170.4° | 173.1° |
| O4 | C7 | C6 | H19 | 69.1° | 53.1° |
| O4 | C7 | C16 | H4 | 58.1° | 61.0° |
| C7 | O4 | C10 | H3 | 115.7° | 115.7° |
| C10 | N1 | C11 | C15 | 176.6° | 179.7° |
| C10 | N1 | C11 | C12 | 175.1° | 179.9° |
| C10 | N1 | C15 | N2 | 175.4° | 180.0° |
| C10 | N1 | C15 | O5 | 1.4° | 0.0° |
| N1 | C10 | C9 | C16 | 83.8° | 86.5° |
| N1 | C10 | C9 | H2 | 39.2° | 39.2° |
| C10 | N1 | C11 | H23 | 4.9° | 0.1° |
| N1 | C11 | C12 | H23 | 180.0° | 179.9° |
| N1 | C11 | C12 | C13 | 179.5° | 180.0° |
| N1 | C11 | C12 | C14 | 0.5° | 0.0° |
| C11 | N1 | C15 | N2 | 1.4° | 0.3° |
| C11 | N1 | C15 | O5 | 178.2° | 179.7° |
| C11 | N1 | C10 | H3 | 132.3° | 144.2° |
| C11 | C12 | C13 | C14 | 179.9° | 179.9° |
| C11 | C12 | C14 | N2 | 0.8° | 0.3° |
| C12 | C11 | N1 | C15 | 1.6° | 0.2° |
| C11 | C12 | C14 | N3 | 176.4° | 180.0° |
| C11 | C12 | C13 | H24 | 180.0° | 180.0° |
| C11 | C12 | C13 | H26 | 60.0° | 60.1° |
| C11 | C12 | C13 | H25 | 60.0° | 60.0° |
| C13 | C12 | C14 | N2 | 179.3° | 179.8° |
| C13 | C12 | C14 | N3 | 3.5° | 0.0° |
| C12 | C13 | H24 | H26 | 120.0° | 120.0° |
| C12 | C13 | H24 | H25 | 120.0° | 120.0° |
| C12 | C13 | H26 | H25 | 120.0° | 120.0° |
| C13 | C12 | C11 | H23 | 0.5° | 0.1° |
| C12 | C14 | N2 | N3 | 177.3° | 179.7° |
| C12 | C14 | N2 | C15 | 0.9° | 0.3° |
| C12 | C14 | N3 | H28 | 177.3° | 179.6° |
| C12 | C14 | N3 | H27 | 2.7° | 0.3° |
| C14 | C12 | C13 | H24 | 0.1° | 0.0° |
| C14 | C12 | C13 | H26 | 119.9° | 120.0° |
| C14 | C12 | C13 | H25 | 120.1° | 120.0° |
| C14 | C12 | C11 | H23 | 179.5° | 179.9° |
| C14 | N2 | C15 | N1 | 0.2° | 0.0° |
| C14 | N2 | C15 | O5 | 176.8° | 180.0° |
| N2 | C14 | N3 | H28 | 0.0° | 0.1° |
| N2 | C14 | N3 | H27 | 180.0° | 180.0° |
| N2 | C15 | N1 | O5 | 176.8° | 180.0° |
| C15 | N2 | C14 | N3 | 176.3° | 180.0° |
| C15 | N1 | C10 | H3 | 44.5° | 35.5° |
| C15 | N1 | C11 | H23 | 178.4° | 179.7° |
| C14 | N3 | H28 | H27 | 180.0° | 179.9° |
| C9 | C16 | C7 | O6 | 116.1° | 115.8° |
| C9 | C16 | C7 | H4 | 114.7° | 116.3° |
| C9 | C16 | O6 | H4 | 128.2° | 128.2° |
| C9 | C16 | O6 | P1 | 112.2° | 121.4° |
| C16 | C9 | C10 | H3 | 153.4° | 151.3° |
| C7 | C16 | O6 | H4 | 128.6° | 128.5° |
| C7 | C16 | O6 | P1 | 144.6° | 135.2° |
| C16 | C7 | C8 | H22 | 80.3° | 86.9° |
| C16 | C7 | C8 | H21 | 157.6° | 151.1° |
| C7 | C16 | C9 | H2 | 179.3° | 176.8° |
| C16 | C7 | C6 | H20 | 56.0° | 52.6° |
| C16 | C7 | C6 | H19 | 176.5° | 67.4° |
| C16 | O6 | P1 | O7 | 174.0° | 55.0° |
| C16 | O6 | P1 | S1 | 55.5° | 65.0° |
| C16 | O6 | P1 | O8 | 57.4° | 175.0° |
| O6 | C16 | C9 | H2 | 64.2° | 68.0° |
| O6 | P1 | O7 | S1 | 124.5° | 120.1° |
| O6 | P1 | O7 | O8 | 110.0° | 120.0° |
| O6 | P1 | S1 | O8 | 110.0° | 120.0° |
| O6 | P1 | O8 | C17 | 70.8° | 175.0° |
| P1 | O6 | C16 | H4 | 16.0° | 6.8° |
| O6 | P1 | S1 | H29 | 122.3° | 60.0° |
| O7 | P1 | S1 | O8 | 127.7° | 120.0° |
| O7 | P1 | O8 | C17 | 41.3° | 55.0° |
| O7 | P1 | S1 | H29 | 0.0° | 179.9° |
| S1 | P1 | O8 | C17 | 173.8° | 65.0° |
| P1 | O8 | C17 | C18 | 171.7° | 180.0° |
| O8 | P1 | S1 | H29 | 127.7° | 60.0° |
| P1 | O8 | C17 | H31 | 67.9° | 60.0° |
| P1 | O8 | C17 | H30 | 51.4° | 60.0° |
| O8 | C17 | C18 | H31 | 120.4° | 120.0° |
| O8 | C17 | C18 | H30 | 120.4° | 120.0° |
| O8 | C17 | C18 | O9 | 50.6° | 66.4° |
| O8 | C17 | C18 | C21 | 64.5° | 179.5° |
| O8 | C17 | H31 | H30 | 118.9° | 120.0° |
| O8 | C17 | C18 | H5 | 172.6° | 56.4° |
| C17 | C18 | O9 | C21 | 121.7° | 118.5° |
| C17 | C18 | O9 | H5 | 121.5° | 122.8° |
| C17 | C18 | O9 | C19 | 143.0° | 158.6° |
| C17 | C18 | C21 | C20 | 160.0° | 155.5° |
| C17 | C18 | C21 | H5 | 123.0° | 122.9° |
| C17 | C18 | C21 | O10 | 79.2° | 86.3° |
| C18 | C17 | H31 | H30 | 118.9° | 120.0° |
| C17 | C18 | C21 | H7 | 43.7° | 37.3° |
| C18 | O9 | C19 | C20 | 6.7° | 26.6° |
| O9 | C18 | C21 | C20 | 40.4° | 37.1° |
| O9 | C18 | C21 | H5 | 117.4° | 118.7° |
| O9 | C18 | C21 | O10 | 161.2° | 155.3° |
| C18 | O9 | C19 | N7 | 116.1° | 146.0° |
| O9 | C18 | C17 | H31 | 171.0° | 53.6° |
| O9 | C18 | C17 | H30 | 69.7° | 173.5° |
| O9 | C18 | C21 | H7 | 75.9° | 81.1° |
| C18 | O9 | C19 | H6 | 123.8° | 92.9° |
| O9 | C19 | C20 | N7 | 120.0° | 119.6° |
| O9 | C19 | C20 | H6 | 117.9° | 119.4° |
| O9 | C19 | C20 | C21 | 31.6° | 2.1° |
| C19 | O9 | C18 | C21 | 21.3° | 40.1° |
| O9 | C19 | N7 | H6 | 120.4° | 121.1° |
| O9 | C19 | N7 | C31 | 20.6° | 22.8° |
| O9 | C19 | N7 | C35 | 163.8° | 156.8° |
| C19 | O9 | C18 | H5 | 95.5° | 78.6° |
| O9 | C19 | C20 | H33 | 86.9° | 116.7° |
| O9 | C19 | C20 | H32 | 150.1° | 120.8° |
| C19 | C20 | C21 | H33 | 118.5° | 118.7° |
| C19 | C20 | C21 | H32 | 118.5° | 118.8° |
| C19 | C20 | C21 | C18 | 43.5° | 20.9° |
| C19 | C20 | C21 | O10 | 162.0° | 139.1° |
| C20 | C19 | N7 | H6 | 121.7° | 121.0° |
| C20 | C19 | N7 | C31 | 97.3° | 95.1° |
| C20 | C19 | N7 | C35 | 78.3° | 85.3° |
| C19 | C20 | C21 | H7 | 72.7° | 97.4° |
| C19 | C20 | H33 | H32 | 124.2° | 122.7° |
| C20 | C21 | C18 | O10 | 120.8° | 118.2° |
| C20 | C21 | C18 | H7 | 116.3° | 118.2° |
| C20 | C21 | O10 | H7 | 124.8° | 123.6° |
| C20 | C21 | O10 | P2 | 102.7° | 127.3° |
| C21 | C20 | C19 | N7 | 88.4° | 121.6° |
| C20 | C21 | C18 | H5 | 77.1° | 81.6° |
| C21 | C20 | H33 | H32 | 124.2° | 122.5° |
| C21 | C20 | C19 | H6 | 149.5° | 117.4° |
| C18 | C21 | O10 | H7 | 122.4° | 123.7° |
| C18 | C21 | O10 | P2 | 144.6° | 120.0° |
| C21 | C18 | C17 | H31 | 55.8° | 60.5° |
| C21 | C18 | C17 | H30 | 175.1° | 59.5° |
| C18 | C21 | C20 | H33 | 75.0° | 139.6° |
| C18 | C21 | C20 | H32 | 162.1° | 97.9° |
| C21 | O10 | P2 | O11 | 170.6° | 54.9° |
| C21 | O10 | P2 | S2 | 38.1° | 65.1° |
| C21 | O10 | P2 | O12 | 75.9° | 174.9° |
| O10 | C21 | C18 | H5 | 43.7° | 36.6° |
| O10 | C21 | C20 | H33 | 43.5° | 102.2° |
| O10 | C21 | C20 | H32 | 79.4° | 20.3° |
| O10 | P2 | O11 | S2 | 131.0° | 120.0° |
| O10 | P2 | O11 | O12 | 108.1° | 120.0° |
| O10 | P2 | S2 | O12 | 108.4° | 120.0° |
| O10 | P2 | O12 | C22 | 62.3° | 175.0° |
| P2 | O10 | C21 | H7 | 22.1° | 3.7° |
| O10 | P2 | S2 | H34 | 130.9° | 60.0° |
| O11 | P2 | S2 | O12 | 120.7° | 120.0° |
| O11 | P2 | O12 | C22 | 54.8° | 55.0° |
| O11 | P2 | S2 | H34 | 0.0° | 180.0° |
| S2 | P2 | O12 | C22 | 179.7° | 65.0° |
| P2 | O12 | C22 | C23 | 171.2° | 180.0° |
| O12 | P2 | S2 | H34 | 120.7° | 60.0° |
| P2 | O12 | C22 | H36 | 69.0° | 60.0° |
| P2 | O12 | C22 | H35 | 51.5° | 60.0° |
| O12 | C22 | C23 | H36 | 119.8° | 120.0° |
| O12 | C22 | C23 | H35 | 119.7° | 120.0° |
| O12 | C22 | C23 | O13 | 58.9° | 66.4° |
| O12 | C22 | C23 | C26 | 58.3° | 179.5° |
| O12 | C22 | H36 | H35 | 120.7° | 120.1° |
| O12 | C22 | C23 | H8 | 179.3° | 56.5° |
| C22 | C23 | O13 | C26 | 122.8° | 118.5° |
| C22 | C23 | O13 | H8 | 119.9° | 122.9° |
| C22 | C23 | O13 | C24 | 147.5° | 158.6° |
| C22 | C23 | C26 | C25 | 152.0° | 155.5° |
| C22 | C23 | C26 | H8 | 122.5° | 122.9° |
| C22 | C23 | C26 | O14 | 89.8° | 86.2° |
| C23 | C22 | H36 | H35 | 120.7° | 120.0° |
| C22 | C23 | C26 | H10 | 34.4° | 37.3° |
| C23 | O13 | C24 | C25 | 6.1° | 26.5° |
| O13 | C23 | C26 | C25 | 32.5° | 37.0° |
| O13 | C23 | C26 | H8 | 118.0° | 118.6° |
| O13 | C23 | C26 | O14 | 150.7° | 155.3° |
| C23 | O13 | C24 | N4 | 129.4° | 145.9° |
| O13 | C23 | C22 | H36 | 178.6° | 53.6° |
| O13 | C23 | C22 | H35 | 60.8° | 173.5° |
| O13 | C23 | C26 | H10 | 85.1° | 81.1° |
| C23 | O13 | C24 | H9 | 111.6° | 93.0° |
| O13 | C24 | C25 | N4 | 119.7° | 119.4° |
| O13 | C24 | C25 | H9 | 118.7° | 119.6° |
| O13 | C24 | C25 | C26 | 14.8° | 2.0° |
| C24 | O13 | C23 | C26 | 24.6° | 40.1° |
| O13 | C24 | N4 | H9 | 119.5° | 121.2° |
| O13 | C24 | N4 | C27 | 34.5° | 127.2° |
| O13 | C24 | N4 | C30 | 149.1° | 53.1° |
| C24 | O13 | C23 | H8 | 92.6° | 78.6° |
| O13 | C24 | C25 | H37 | 104.4° | 116.6° |
| O13 | C24 | C25 | H38 | 133.9° | 120.7° |
| C24 | C25 | C26 | H37 | 119.2° | 118.7° |
| C24 | C25 | C26 | H38 | 119.2° | 118.8° |
| C24 | C25 | C26 | C23 | 28.4° | 20.9° |
| C24 | C25 | C26 | O14 | 146.4° | 139.1° |
| C25 | C24 | N4 | H9 | 121.3° | 121.0° |
| C25 | C24 | N4 | C27 | 84.7° | 115.0° |
| C25 | C24 | N4 | C30 | 91.8° | 64.7° |
| C24 | C25 | C26 | H10 | 89.2° | 97.3° |
| C24 | C25 | H37 | H38 | 122.4° | 122.7° |
| C25 | C26 | C23 | O14 | 118.1° | 118.3° |
| C25 | C26 | C23 | H10 | 117.7° | 118.2° |
| C25 | C26 | O14 | H10 | 123.6° | 123.7° |
| C26 | C25 | C24 | N4 | 105.0° | 121.5° |
| C25 | C26 | C23 | H8 | 85.5° | 81.5° |
| C25 | C26 | O14 | H39 | 180.0° | 67.2° |
| C26 | C25 | H37 | H38 | 122.4° | 122.5° |
| C26 | C25 | C24 | H9 | 133.4° | 117.6° |
| C23 | C26 | O14 | H10 | 123.4° | 123.6° |
| C26 | C23 | C22 | H36 | 61.5° | 60.5° |
| C26 | C23 | C22 | H35 | 178.0° | 59.5° |
| C23 | C26 | O14 | H39 | 67.0° | 180.0° |
| C23 | C26 | C25 | H37 | 90.7° | 139.6° |
| C23 | C26 | C25 | H38 | 147.6° | 97.9° |
| O14 | C26 | C23 | H8 | 32.7° | 36.7° |
| O14 | C26 | C25 | H37 | 27.2° | 102.2° |
| O14 | C26 | C25 | H38 | 94.4° | 20.3° |
| C24 | N4 | C27 | C30 | 176.4° | 179.7° |
| C24 | N4 | C27 | C28 | 174.7° | 179.8° |
| C24 | N4 | C30 | N5 | 173.6° | 180.0° |
| C24 | N4 | C30 | O15 | 9.2° | 0.0° |
| N4 | C24 | C25 | H37 | 135.9° | 2.8° |
| N4 | C24 | C25 | H38 | 14.2° | 119.8° |
| C24 | N4 | C27 | H40 | 5.3° | 0.0° |
| N4 | C27 | C28 | H40 | 180.0° | 179.7° |
| N4 | C27 | C28 | C29 | 0.5° | 0.5° |
| C27 | N4 | C30 | N5 | 3.0° | 0.2° |
| C27 | N4 | C30 | O15 | 174.3° | 179.8° |
| C27 | N4 | C24 | H9 | 154.0° | 6.0° |
| N4 | C27 | C28 | H41 | 179.5° | 179.8° |
| C27 | C28 | C29 | H41 | 180.0° | 179.7° |
| C27 | C28 | C29 | N5 | 1.6° | 0.4° |
| C28 | C27 | N4 | C30 | 1.7° | 0.5° |
| C27 | C28 | C29 | N6 | 177.6° | 179.7° |
| C28 | C29 | N5 | N6 | 179.2° | 180.0° |
| C28 | C29 | N5 | C30 | 0.3° | 0.1° |
| C28 | C29 | N6 | H42 | 179.2° | 180.0° |
| C28 | C29 | N6 | H43 | 0.8° | 0.0° |
| C29 | C28 | C27 | H40 | 179.5° | 179.7° |
| C29 | N5 | C30 | N4 | 1.9° | 0.0° |
| C29 | N5 | C30 | O15 | 175.2° | 180.0° |
| N5 | C29 | N6 | H42 | 0.0° | 0.0° |
| N5 | C29 | N6 | H43 | 180.0° | 179.9° |
| N5 | C29 | C28 | H41 | 178.4° | 179.9° |
| N5 | C30 | N4 | O15 | 177.2° | 180.0° |
| C30 | N5 | C29 | N6 | 178.9° | 179.9° |
| C30 | N4 | C24 | H9 | 29.5° | 174.2° |
| C30 | N4 | C27 | H40 | 178.3° | 179.8° |
| C29 | N6 | H42 | H43 | 180.0° | 179.9° |
| N6 | C29 | C28 | H41 | 2.4° | 0.0° |
| C19 | N7 | C31 | C35 | 176.3° | 179.7° |
| C19 | N7 | C31 | N8 | 176.4° | 179.9° |
| C19 | N7 | C35 | N11 | 3.1° | 0.1° |
| C19 | N7 | C35 | C32 | 176.3° | 179.9° |
| N7 | C19 | C20 | H33 | 153.1° | 2.9° |
| N7 | C19 | C20 | H32 | 30.1° | 119.7° |
| C19 | N7 | C31 | H44 | 3.6° | 0.1° |
| N7 | C31 | N8 | H44 | 180.0° | 179.8° |
| N7 | C31 | N8 | C32 | 0.3° | 0.4° |
| C31 | N7 | C35 | N11 | 179.6° | 179.7° |
| C31 | N7 | C35 | C32 | 0.2° | 0.2° |
| C31 | N7 | C19 | H6 | 141.0° | 143.9° |
| C31 | N8 | C32 | C33 | 178.1° | 179.8° |
| N8 | C31 | N7 | C35 | 0.1° | 0.4° |
| C31 | N8 | C32 | C35 | 0.4° | 0.3° |
| N8 | C32 | C33 | C35 | 178.4° | 179.9° |
| N8 | C32 | C33 | N9 | 0.6° | 0.1° |
| N8 | C32 | C33 | N10 | 179.2° | 179.9° |
| N8 | C32 | C35 | N11 | 179.8° | 180.0° |
| N8 | C32 | C35 | N7 | 0.4° | 0.0° |
| C32 | N8 | C31 | H44 | 179.7° | 179.8° |
| C32 | C33 | N9 | N10 | 178.6° | 180.0° |
| C32 | C33 | N10 | C34 | 0.0° | 0.0° |
| C33 | C32 | C35 | N11 | 1.1° | 0.1° |
| C33 | C32 | C35 | N7 | 178.4° | 179.9° |
| C32 | C33 | N9 | H45 | 178.6° | 180.0° |
| C32 | C33 | N9 | H46 | 61.4° | 0.1° |
| N9 | C33 | N10 | C34 | 178.7° | 180.0° |
| N9 | C33 | C32 | C35 | 177.8° | 180.0° |
| C33 | N9 | H45 | H46 | 120.0° | 179.9° |
| C33 | N10 | C34 | N11 | 0.8° | 0.1° |
| N10 | C33 | C32 | C35 | 0.8° | 0.0° |
| C33 | N10 | C34 | H47 | 179.2° | 180.0° |
| N10 | C33 | N9 | H45 | 0.0° | 0.0° |
| N10 | C33 | N9 | H46 | 120.0° | 179.9° |
| N10 | C34 | N11 | H47 | 180.0° | 180.0° |
| N10 | C34 | N11 | C35 | 0.6° | 0.0° |
| C34 | N11 | C35 | N7 | 178.9° | 180.0° |
| C34 | N11 | C35 | C32 | 0.4° | 0.0° |
| N11 | C35 | N7 | C32 | 179.4° | 180.0° |
| C35 | N11 | C34 | H47 | 179.4° | 180.0° |
| C35 | N7 | C19 | H6 | 43.4° | 35.6° |
| C35 | N7 | C31 | H44 | 179.9° | 179.8° |
| C5 | C36 | C37 | O17 | 117.8° | 117.8° |
| C5 | C36 | C37 | H11 | 121.9° | 121.1° |
| C5 | C36 | C37 | O16 | 153.3° | 175.0° |
| C5 | C36 | O17 | H11 | 117.1° | 119.5° |
| C5 | C36 | O17 | C3 | 27.7° | 26.5° |
| C36 | C5 | C4 | H17 | 132.1° | 97.4° |
| C36 | C5 | C4 | H16 | 106.0° | 139.2° |
| C5 | C36 | C37 | H49 | 33.1° | 55.0° |
| C5 | C36 | C37 | H48 | 86.4° | 65.0° |
| C36 | C37 | O16 | H49 | 120.2° | 120.0° |
| C36 | C37 | O16 | H48 | 120.3° | 120.0° |
| C37 | C36 | O17 | H11 | 119.8° | 121.1° |
| C37 | C36 | O17 | C3 | 150.9° | 145.9° |
| C37 | C36 | C5 | H1 | 11.8° | 2.8° |
| C36 | C37 | H49 | H48 | 119.2° | 120.1° |
| C36 | C37 | O16 | H50 | 180.0° | 180.0° |
| O16 | C37 | C36 | O17 | 88.9° | 67.2° |
| O16 | C37 | C36 | H11 | 31.4° | 53.9° |
| O16 | C37 | H49 | H48 | 119.2° | 120.0° |
| O17 | C36 | C5 | H1 | 108.1° | 116.6° |
| C36 | O17 | C3 | H | 80.8° | 78.5° |
| O17 | C36 | C37 | H49 | 150.8° | 172.9° |
| O17 | C36 | C37 | H48 | 31.3° | 52.8° |
| O17 | C3 | N | C38 | 148.4° | 49.0° |
| O17 | C3 | C4 | H17 | 149.4° | 81.2° |
| O17 | C3 | C4 | H16 | 88.8° | 155.2° |
| C3 | O17 | C36 | H11 | 89.4° | 92.9° |
| N | C38 | O18 | N12 | 179.7° | 180.0° |
| N | C38 | N12 | C39 | 0.7° | 0.1° |
| C38 | N | C3 | H | 27.7° | 172.1° |
| C38 | N | C2 | H15 | 178.5° | 180.0° |
| N | C38 | N12 | H51 | 179.3° | 180.0° |
| O18 | C38 | N12 | C39 | 178.9° | 180.0° |
| O18 | C38 | N12 | H51 | 1.0° | 0.0° |
| C38 | N12 | C39 | H51 | 180.0° | 180.0° |
| C38 | N12 | C39 | C1 | 0.4° | 0.1° |
| C38 | N12 | C39 | O19 | 176.6° | 180.0° |
| N12 | C39 | C1 | O19 | 176.8° | 180.0° |
| C39 | C1 | C2 | H15 | 179.7° | 180.0° |
| C39 | C1 | C | H13 | 2.3° | 90.3° |
| C39 | C1 | C | H12 | 122.3° | 29.7° |
| C39 | C1 | C | H14 | 117.7° | 149.8° |
| C1 | C39 | N12 | H51 | 179.5° | 180.0° |
| O19 | C39 | N12 | H51 | 3.4° | 0.0° |
| H2 | C9 | C16 | H4 | 64.6° | 60.0° |
| H2 | C9 | C10 | H3 | 83.5° | 82.9° |
| H1 | C5 | C4 | H17 | 112.2° | 21.3° |
| H1 | C5 | C4 | H16 | 9.6° | 102.2° |
| H1 | C5 | C36 | H11 | 133.9° | 123.9° |
| H17 | C4 | C3 | H | 30.7° | 160.2° |
| H16 | C4 | C3 | H | 152.6° | 36.5° |
| H13 | C | H12 | H14 | 120.0° | 119.9° |
| H11 | C36 | C37 | H49 | 88.8° | 66.1° |
| H11 | C36 | C37 | H48 | 151.7° | 173.9° |
| H49 | C37 | O16 | H50 | 59.8° | 60.0° |
| H48 | C37 | O16 | H50 | 59.7° | 60.0° |
| H24 | C13 | H26 | H25 | 120.0° | 119.9° |
| H31 | C17 | C18 | H5 | 67.0° | 176.4° |
| H30 | C17 | C18 | H5 | 52.2° | 63.6° |
| H5 | C18 | C21 | H7 | 166.7° | 160.2° |
| H7 | C21 | C20 | H33 | 168.8° | 21.3° |
| H7 | C21 | C20 | H32 | 45.8° | 143.8° |
| H33 | C20 | C19 | H6 | 30.9° | 123.9° |
| H32 | C20 | C19 | H6 | 92.0° | 1.3° |
| H36 | C22 | C23 | H8 | 60.9° | 176.5° |
| H35 | C22 | C23 | H8 | 59.6° | 63.6° |
| H8 | C23 | C26 | H10 | 156.9° | 160.3° |
| H10 | C26 | O14 | H39 | 56.4° | 56.4° |
| H10 | C26 | C25 | H37 | 151.7° | 21.4° |
| H10 | C26 | C25 | H38 | 30.0° | 143.9° |
| H37 | C25 | C24 | H9 | 14.3° | 123.7° |
| H38 | C25 | C24 | H9 | 107.4° | 1.1° |
| H41 | C28 | C27 | H40 | 0.5° | 0.0° |
