93M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.51Å | 1.51Å | |
| C13 | C12 | sing | 1.51Å | 1.52Å | |
| O4 | C20 | doub | 1.21Å | 1.21Å | |
| N3 | C12 | sing | 1.35Å | 1.33Å | |
| N3 | C11 | sing | 1.46Å | 1.44Å | |
| C12 | O3 | doub | 1.21Å | 1.23Å | |
| N2 | C9 | sing | 1.47Å | 1.45Å | |
| N2 | C10 | sing | 1.35Å | 1.34Å | |
| C11 | C10 | sing | 1.51Å | 1.52Å | |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| O18 | P2 | doub | 1.48Å | 1.52Å | |
| C20 | C9 | sing | 1.51Å | 1.52Å | |
| C20 | O5 | sing | 1.34Å | 1.30Å | |
| C7 | C6 | sing | 1.53Å | 1.51Å | |
| C10 | O2 | doub | 1.21Å | 1.23Å | |
| O19 | C32 | sing | 1.43Å | 1.42Å | |
| C3 | C4 | sing | 1.51Å | 1.51Å | |
| C3 | S | sing | 1.81Å | 1.82Å | |
| O15 | P2 | sing | 1.61Å | 1.59Å | |
| O15 | C31 | sing | 1.43Å | 1.44Å | |
| P2 | O16 | sing | 1.61Å | 1.47Å | |
| P2 | O17 | sing | 1.61Å | 1.52Å | |
| N1 | C4 | sing | 1.35Å | 1.33Å | |
| N1 | C5 | sing | 1.47Å | 1.46Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C4 | O1 | doub | 1.21Å | 1.23Å | |
| C30 | C31 | sing | 1.54Å | 1.52Å | |
| C30 | O20 | sing | 1.45Å | 1.44Å | |
| C30 | C29 | sing | 1.53Å | 1.50Å | |
| S | C2 | sing | 1.81Å | 1.82Å | |
| O13 | P1 | doub | 1.48Å | 1.49Å | |
| C32 | C31 | sing | 1.55Å | 1.52Å | |
| C32 | C33 | sing | 1.54Å | 1.52Å | |
| O20 | C33 | sing | 1.44Å | 1.41Å | |
| O14 | C29 | sing | 1.43Å | 1.43Å | |
| O14 | P1 | sing | 1.61Å | 1.54Å | |
| C33 | N5 | sing | 1.46Å | 1.46Å | |
| P1 | O11 | sing | 1.61Å | 1.59Å | |
| P1 | O12 | sing | 1.61Å | 1.47Å | |
| C2 | C1 | sing | 1.53Å | 1.51Å | |
| O11 | P | sing | 1.61Å | 1.59Å | |
| N5 | C38 | sing | 1.36Å | 1.37Å | Aromatic |
| N5 | C34 | sing | 1.37Å | 1.37Å | Aromatic |
| C1 | N | sing | 1.46Å | 1.46Å | |
| N6 | C34 | doub | 1.33Å | 1.34Å | Aromatic |
| N6 | C35 | sing | 1.32Å | 1.33Å | Aromatic |
| C28 | O8 | sing | 1.43Å | 1.44Å | |
| C28 | C25 | sing | 1.53Å | 1.53Å | |
| C27 | C25 | sing | 1.53Å | 1.54Å | |
| O8 | P | sing | 1.61Å | 1.57Å | |
| C38 | N8 | doub | 1.30Å | 1.31Å | Aromatic |
| C34 | C37 | sing | 1.41Å | 1.38Å | Aromatic |
| O10 | P | doub | 1.48Å | 1.50Å | |
| P | O9 | sing | 1.61Å | 1.47Å | |
| C26 | C25 | sing | 1.53Å | 1.54Å | |
| N | C | sing | 1.35Å | 1.33Å | |
| C25 | C24 | sing | 1.53Å | 1.55Å | |
| C35 | N7 | doub | 1.32Å | 1.34Å | Aromatic |
| N8 | C37 | sing | 1.35Å | 1.39Å | Aromatic |
| C37 | C36 | doub | 1.40Å | 1.41Å | Aromatic |
| C | O | doub | 1.21Å | 1.23Å | |
| C | C21 | sing | 1.51Å | 1.51Å | |
| C24 | O7 | sing | 1.43Å | 1.42Å | |
| C24 | C23 | sing | 1.51Å | 1.52Å | |
| N7 | C36 | sing | 1.33Å | 1.35Å | Aromatic |
| C36 | N9 | sing | 1.38Å | 1.33Å | |
| C23 | O6 | doub | 1.21Å | 1.23Å | |
| C23 | N4 | sing | 1.35Å | 1.33Å | |
| C21 | C22 | sing | 1.53Å | 1.51Å | |
| N4 | C22 | sing | 1.46Å | 1.46Å | |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| N1 | H5 | sing | 0.97Å | 1.00Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| N2 | H10 | sing | 0.97Å | 1.00Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| O5 | H12 | sing | 0.97Å | 0.95Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| N3 | H15 | sing | 0.97Å | 1.00Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| O7 | H18 | sing | 0.97Å | 0.95Å | |
| C15 | H19 | sing | 1.08Å | 1.08Å | |
| N4 | H20 | sing | 0.97Å | 1.00Å | |
| O16 | H21 | sing | 0.97Å | 0.95Å | |
| O17 | H22 | sing | 0.97Å | 0.95Å | |
| C31 | H23 | sing | 1.09Å | 1.10Å | |
| C32 | H24 | sing | 1.09Å | 1.10Å | |
| O19 | H25 | sing | 0.97Å | 0.95Å | |
| C33 | H26 | sing | 1.09Å | 1.10Å | |
| C38 | H27 | sing | 1.08Å | 1.08Å | |
| N9 | H28 | sing | 0.97Å | 1.00Å | |
| N9 | H29 | sing | 0.97Å | 1.00Å | |
| C35 | H30 | sing | 1.08Å | 1.08Å | |
| C30 | H31 | sing | 1.09Å | 1.10Å | |
| C29 | H32 | sing | 1.09Å | 1.10Å | |
| C29 | H33 | sing | 1.09Å | 1.10Å | |
| O12 | H34 | sing | 0.97Å | 0.95Å | |
| O9 | H35 | sing | 0.97Å | 0.95Å | |
| C28 | H36 | sing | 1.09Å | 1.10Å | |
| C28 | H37 | sing | 1.09Å | 1.10Å | |
| C26 | H38 | sing | 1.09Å | 1.10Å | |
| C26 | H39 | sing | 1.09Å | 1.10Å | |
| C26 | H40 | sing | 1.09Å | 1.10Å | |
| C27 | H41 | sing | 1.09Å | 1.10Å | |
| C27 | H42 | sing | 1.09Å | 1.10Å | |
| C27 | H43 | sing | 1.09Å | 1.10Å | |
| C24 | H44 | sing | 1.09Å | 1.10Å | |
| C22 | H45 | sing | 1.09Å | 1.10Å | |
| C22 | H46 | sing | 1.09Å | 1.10Å | |
| C21 | H47 | sing | 1.09Å | 1.10Å | |
| C21 | H48 | sing | 1.09Å | 1.10Å | |
| N | H49 | sing | 0.97Å | 1.00Å | |
| C1 | H50 | sing | 1.09Å | 1.10Å | |
| C1 | H51 | sing | 1.09Å | 1.10Å | |
| C2 | H52 | sing | 1.09Å | 1.10Å | |
| C2 | H53 | sing | 1.09Å | 1.10Å | |
| C3 | H54 | sing | 1.09Å | 1.10Å | |
| C3 | H55 | sing | 1.09Å | 1.10Å | |
| C19 | H56 | sing | 1.08Å | 1.08Å | |
| C18 | H57 | sing | 1.08Å | 1.08Å | |
| C17 | H58 | sing | 1.08Å | 1.08Å | |
| C16 | H59 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | C18 | C19 | 120.2° | 120.0° |
| C18 | C17 | C16 | 119.7° | 120.0° |
| C17 | C18 | H57 | 119.9° | 120.0° |
| C18 | C17 | H58 | 120.1° | 120.0° |
| C18 | C19 | C14 | 120.7° | 120.0° |
| C18 | C19 | H56 | 119.7° | 120.0° |
| C19 | C18 | H57 | 119.9° | 120.0° |
| C17 | C16 | C15 | 120.1° | 120.0° |
| C16 | C17 | H58 | 120.2° | 120.0° |
| C17 | C16 | H59 | 119.9° | 119.9° |
| C19 | C14 | C15 | 118.5° | 120.0° |
| C19 | C14 | C13 | 120.6° | 120.0° |
| C14 | C19 | H56 | 119.7° | 120.0° |
| C16 | C15 | C14 | 120.7° | 120.0° |
| C16 | C15 | H19 | 119.6° | 120.0° |
| C15 | C16 | H59 | 119.9° | 120.0° |
| C15 | C14 | C13 | 120.9° | 120.0° |
| C14 | C15 | H19 | 119.6° | 120.0° |
| C14 | C13 | C12 | 113.8° | 109.5° |
| C14 | C13 | H16 | 108.4° | 109.5° |
| C14 | C13 | H17 | 108.4° | 109.5° |
| C13 | C12 | N3 | 116.3° | 120.0° |
| C13 | C12 | O3 | 121.1° | 120.0° |
| C12 | C13 | H16 | 108.4° | 109.4° |
| C12 | C13 | H17 | 108.4° | 109.5° |
| O4 | C20 | C9 | 121.9° | 120.1° |
| O4 | C20 | O5 | 124.2° | 120.0° |
| C12 | N3 | C11 | 121.7° | 120.0° |
| N3 | C12 | O3 | 122.6° | 119.9° |
| C12 | N3 | H15 | 119.1° | 120.0° |
| N3 | C11 | C10 | 115.3° | 109.5° |
| N3 | C11 | H13 | 108.0° | 109.5° |
| N3 | C11 | H14 | 108.0° | 109.5° |
| C11 | N3 | H15 | 119.2° | 120.0° |
| C9 | N2 | C10 | 123.1° | 120.0° |
| N2 | C9 | C8 | 110.9° | 109.5° |
| N2 | C9 | C20 | 109.9° | 109.4° |
| C9 | N2 | H10 | 118.4° | 120.0° |
| N2 | C9 | H11 | 109.3° | 109.5° |
| N2 | C10 | C11 | 116.5° | 120.0° |
| N2 | C10 | O2 | 123.2° | 120.0° |
| C10 | N2 | H10 | 118.4° | 120.0° |
| C11 | C10 | O2 | 120.3° | 120.0° |
| C10 | C11 | H13 | 108.0° | 109.5° |
| C10 | C11 | H14 | 108.0° | 109.5° |
| C7 | C8 | C9 | 117.0° | 109.5° |
| C8 | C7 | C6 | 113.8° | 109.5° |
| C8 | C7 | H6 | 108.4° | 109.4° |
| C8 | C7 | H7 | 108.4° | 109.5° |
| C7 | C8 | H8 | 107.6° | 109.4° |
| C7 | C8 | H9 | 107.6° | 109.5° |
| C8 | C9 | C20 | 109.9° | 109.5° |
| C9 | C8 | H8 | 107.6° | 109.5° |
| C9 | C8 | H9 | 107.5° | 109.5° |
| C8 | C9 | H11 | 108.4° | 109.5° |
| O18 | P2 | O15 | 106.3° | 109.5° |
| O18 | P2 | O16 | 111.6° | 109.5° |
| O18 | P2 | O17 | 110.2° | 109.5° |
| C9 | C20 | O5 | 113.9° | 120.0° |
| C20 | C9 | H11 | 108.5° | 109.5° |
| C20 | O5 | H12 | 109.5° | 117.0° |
| C7 | C6 | C5 | 114.3° | 109.4° |
| C7 | C6 | H3 | 108.2° | 109.5° |
| C7 | C6 | H4 | 108.2° | 109.5° |
| C6 | C7 | H6 | 108.4° | 109.5° |
| C6 | C7 | H7 | 108.4° | 109.5° |
| O19 | C32 | C31 | 109.0° | 110.5° |
| O19 | C32 | C33 | 110.2° | 110.5° |
| O19 | C32 | H24 | 113.1° | 110.6° |
| C32 | O19 | H25 | 109.5° | 113.9° |
| C4 | C3 | S | 113.9° | 109.5° |
| C3 | C4 | N1 | 115.9° | 120.0° |
| C3 | C4 | O1 | 121.1° | 120.0° |
| C4 | C3 | H54 | 108.3° | 109.5° |
| C4 | C3 | H55 | 108.3° | 109.4° |
| C3 | S | C2 | 101.5° | 103.0° |
| S | C3 | H54 | 108.4° | 109.5° |
| S | C3 | H55 | 108.4° | 109.5° |
| P2 | O15 | C31 | 122.5° | 123.0° |
| O15 | P2 | O16 | 110.9° | 109.5° |
| O15 | P2 | O17 | 104.2° | 109.4° |
| O15 | C31 | C30 | 110.3° | 110.5° |
| O15 | C31 | C32 | 106.4° | 110.5° |
| O15 | C31 | H23 | 112.7° | 110.4° |
| O16 | P2 | O17 | 113.1° | 109.5° |
| P2 | O16 | H21 | 109.5° | 114.0° |
| P2 | O17 | H22 | 109.5° | 114.0° |
| C4 | N1 | C5 | 122.6° | 120.0° |
| N1 | C4 | O1 | 122.9° | 120.0° |
| C4 | N1 | H5 | 118.7° | 119.9° |
| N1 | C5 | C6 | 113.3° | 109.5° |
| N1 | C5 | H1 | 108.5° | 109.4° |
| N1 | C5 | H2 | 108.5° | 109.5° |
| C5 | N1 | H5 | 118.7° | 120.0° |
| C6 | C5 | H1 | 108.5° | 109.5° |
| C6 | C5 | H2 | 108.5° | 109.5° |
| C5 | C6 | H3 | 108.2° | 109.5° |
| C5 | C6 | H4 | 108.3° | 109.5° |
| C31 | C30 | O20 | 106.8° | 104.7° |
| C31 | C30 | C29 | 115.0° | 110.4° |
| C30 | C31 | C32 | 104.0° | 104.2° |
| C30 | C31 | H23 | 111.4° | 110.5° |
| C31 | C30 | H31 | 108.2° | 110.4° |
| O20 | C30 | C29 | 108.9° | 110.5° |
| C30 | O20 | C33 | 109.0° | 105.3° |
| O20 | C30 | H31 | 109.3° | 110.4° |
| C30 | C29 | O14 | 103.9° | 109.5° |
| C29 | C30 | H31 | 108.5° | 110.4° |
| C30 | C29 | H32 | 110.9° | 109.5° |
| C30 | C29 | H33 | 110.9° | 109.5° |
| S | C2 | C1 | 112.8° | 109.5° |
| S | C2 | H52 | 108.6° | 109.5° |
| S | C2 | H53 | 108.6° | 109.4° |
| O13 | P1 | O14 | 106.5° | 109.4° |
| O13 | P1 | O11 | 109.6° | 109.5° |
| O13 | P1 | O12 | 114.5° | 109.5° |
| C31 | C32 | C33 | 101.0° | 104.1° |
| C32 | C31 | H23 | 111.5° | 110.6° |
| C31 | C32 | H24 | 111.4° | 110.5° |
| C32 | C33 | O20 | 106.2° | 104.8° |
| C32 | C33 | N5 | 114.2° | 110.4° |
| C33 | C32 | H24 | 111.5° | 110.6° |
| C32 | C33 | H26 | 108.4° | 110.4° |
| O20 | C33 | N5 | 108.7° | 110.4° |
| O20 | C33 | H26 | 110.0° | 110.4° |
| C29 | O14 | P1 | 121.6° | 123.0° |
| O14 | C29 | H32 | 110.8° | 109.4° |
| O14 | C29 | H33 | 110.8° | 109.4° |
| O14 | P1 | O11 | 103.1° | 109.5° |
| O14 | P1 | O12 | 112.8° | 109.4° |
| C33 | N5 | C38 | 128.4° | 126.3° |
| C33 | N5 | C34 | 125.8° | 126.3° |
| N5 | C33 | H26 | 109.3° | 110.4° |
| O11 | P1 | O12 | 109.7° | 109.5° |
| P1 | O11 | P | 128.7° | 133.9° |
| P1 | O12 | H34 | 109.5° | 114.0° |
| C2 | C1 | N | 111.7° | 109.5° |
| C2 | C1 | H50 | 108.9° | 109.5° |
| C2 | C1 | H51 | 108.9° | 109.5° |
| C1 | C2 | H52 | 108.6° | 109.5° |
| C1 | C2 | H53 | 108.7° | 109.5° |
| O11 | P | O8 | 105.7° | 109.4° |
| O11 | P | O10 | 108.2° | 109.5° |
| O11 | P | O9 | 111.5° | 109.5° |
| C38 | N5 | C34 | 105.7° | 107.4° |
| N5 | C38 | N8 | 114.1° | 110.0° |
| N5 | C38 | H27 | 123.0° | 125.0° |
| N5 | C34 | N6 | 127.2° | 134.9° |
| N5 | C34 | C37 | 105.9° | 106.0° |
| C1 | N | C | 123.3° | 120.0° |
| C1 | N | H49 | 118.4° | 120.0° |
| N | C1 | H50 | 108.9° | 109.4° |
| N | C1 | H51 | 108.9° | 109.5° |
| C34 | N6 | C35 | 110.9° | 120.6° |
| N6 | C34 | C37 | 126.9° | 119.1° |
| N6 | C35 | N7 | 129.0° | 122.5° |
| N6 | C35 | H30 | 115.5° | 118.7° |
| O8 | C28 | C25 | 109.1° | 109.5° |
| C28 | O8 | P | 123.1° | 123.0° |
| O8 | C28 | H36 | 109.5° | 109.5° |
| O8 | C28 | H37 | 109.6° | 109.5° |
| C28 | C25 | C27 | 108.3° | 109.5° |
| C28 | C25 | C26 | 108.2° | 109.5° |
| C28 | C25 | C24 | 110.4° | 109.5° |
| C25 | C28 | H36 | 109.6° | 109.4° |
| C25 | C28 | H37 | 109.6° | 109.5° |
| C27 | C25 | C26 | 109.8° | 109.5° |
| C27 | C25 | C24 | 110.3° | 109.4° |
| C25 | C27 | H41 | 109.5° | 109.5° |
| C25 | C27 | H42 | 109.5° | 109.4° |
| C25 | C27 | H43 | 109.4° | 109.4° |
| O8 | P | O10 | 107.7° | 109.5° |
| O8 | P | O9 | 111.3° | 109.5° |
| C38 | N8 | C37 | 103.7° | 109.5° |
| N8 | C38 | H27 | 123.0° | 125.0° |
| C34 | C37 | N8 | 110.7° | 107.1° |
| C34 | C37 | C36 | 116.9° | 118.1° |
| O10 | P | O9 | 112.3° | 109.5° |
| P | O9 | H35 | 109.5° | 114.0° |
| C26 | C25 | C24 | 109.9° | 109.5° |
| C25 | C26 | H38 | 109.5° | 109.5° |
| C25 | C26 | H39 | 109.5° | 109.5° |
| C25 | C26 | H40 | 109.5° | 109.5° |
| N | C | O | 122.9° | 120.0° |
| N | C | C21 | 116.0° | 120.0° |
| C | N | H49 | 118.4° | 120.0° |
| C25 | C24 | O7 | 109.6° | 109.5° |
| C25 | C24 | C23 | 112.9° | 109.5° |
| C25 | C24 | H44 | 107.4° | 109.5° |
| C35 | N7 | C36 | 118.8° | 121.2° |
| N7 | C35 | H30 | 115.5° | 118.8° |
| N8 | C37 | C36 | 132.4° | 134.7° |
| C37 | C36 | N7 | 117.5° | 118.5° |
| C37 | C36 | N9 | 123.9° | 120.7° |
| O | C | C21 | 121.0° | 120.0° |
| C | C21 | C22 | 111.9° | 109.5° |
| C | C21 | H47 | 108.8° | 109.5° |
| C | C21 | H48 | 108.9° | 109.5° |
| O7 | C24 | C23 | 110.0° | 109.5° |
| C24 | O7 | H18 | 109.5° | 114.0° |
| O7 | C24 | H44 | 109.1° | 109.5° |
| C24 | C23 | O6 | 120.1° | 120.0° |
| C24 | C23 | N4 | 116.8° | 120.0° |
| C23 | C24 | H44 | 107.7° | 109.4° |
| N7 | C36 | N9 | 118.6° | 120.8° |
| C36 | N9 | H28 | 109.5° | 120.0° |
| C36 | N9 | H29 | 109.5° | 120.0° |
| O6 | C23 | N4 | 123.2° | 120.0° |
| C23 | N4 | C22 | 123.0° | 120.0° |
| C23 | N4 | H20 | 118.5° | 120.0° |
| C21 | C22 | N4 | 112.2° | 109.4° |
| C21 | C22 | H45 | 108.8° | 109.5° |
| C21 | C22 | H46 | 108.8° | 109.5° |
| C22 | C21 | H47 | 108.9° | 109.5° |
| C22 | C21 | H48 | 108.8° | 109.5° |
| C22 | N4 | H20 | 118.5° | 120.0° |
| N4 | C22 | H45 | 108.8° | 109.5° |
| N4 | C22 | H46 | 108.8° | 109.4° |
| H1 | C5 | H2 | 109.4° | 109.5° |
| H3 | C6 | H4 | 109.5° | 109.5° |
| H6 | C7 | H7 | 109.5° | 109.5° |
| H8 | C8 | H9 | 109.5° | 109.5° |
| H13 | C11 | H14 | 109.5° | 109.5° |
| H16 | C13 | H17 | 109.5° | 109.4° |
| H28 | N9 | H29 | 109.5° | 119.9° |
| H32 | C29 | H33 | 109.5° | 109.5° |
| H36 | C28 | H37 | 109.5° | 109.5° |
| H38 | C26 | H39 | 109.4° | 109.4° |
| H38 | C26 | H40 | 109.4° | 109.5° |
| H39 | C26 | H40 | 109.5° | 109.5° |
| H41 | C27 | H42 | 109.5° | 109.5° |
| H41 | C27 | H43 | 109.5° | 109.5° |
| H42 | C27 | H43 | 109.5° | 109.5° |
| H45 | C22 | H46 | 109.5° | 109.5° |
| H47 | C21 | H48 | 109.5° | 109.4° |
| H50 | C1 | H51 | 109.5° | 109.4° |
| H52 | C2 | H53 | 109.5° | 109.4° |
| H54 | C3 | H55 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | C18 | C19 | H57 | 180.0° | 179.7° |
| C18 | C17 | C16 | H58 | 180.0° | 179.7° |
| C17 | C18 | C19 | C14 | 1.5° | 0.0° |
| C18 | C17 | C16 | C15 | 0.1° | 0.3° |
| C17 | C18 | C19 | H56 | 178.5° | 180.0° |
| C18 | C17 | C16 | H59 | 179.9° | 180.0° |
| C19 | C18 | C17 | C16 | 0.9° | 0.3° |
| C18 | C19 | C14 | H56 | 180.0° | 180.0° |
| C18 | C19 | C14 | C15 | 1.1° | 0.3° |
| C18 | C19 | C14 | C13 | 178.5° | 180.0° |
| C19 | C18 | C17 | H58 | 179.1° | 180.0° |
| C17 | C16 | C15 | H59 | 180.0° | 179.8° |
| C17 | C16 | C15 | C14 | 0.4° | 0.0° |
| C17 | C16 | C15 | H19 | 179.5° | 180.0° |
| C16 | C17 | C18 | H57 | 179.1° | 180.0° |
| C19 | C14 | C15 | C16 | 0.1° | 0.3° |
| C19 | C14 | C15 | C13 | 179.6° | 179.7° |
| C19 | C14 | C13 | C12 | 101.9° | 90.3° |
| C19 | C14 | C13 | H16 | 18.7° | 149.7° |
| C19 | C14 | C13 | H17 | 137.4° | 29.7° |
| C19 | C14 | C15 | H19 | 179.9° | 179.7° |
| C14 | C19 | C18 | H57 | 178.5° | 179.8° |
| C16 | C15 | C14 | H19 | 180.0° | 180.0° |
| C16 | C15 | C14 | C13 | 179.5° | 180.0° |
| C15 | C16 | C17 | H58 | 179.9° | 180.0° |
| C15 | C14 | C13 | C12 | 78.5° | 90.0° |
| C15 | C14 | C13 | H16 | 160.9° | 30.0° |
| C15 | C14 | C13 | H17 | 42.2° | 150.0° |
| C15 | C14 | C19 | H56 | 178.9° | 179.7° |
| C14 | C15 | C16 | H59 | 179.5° | 179.7° |
| C14 | C13 | C12 | H16 | 120.6° | 120.0° |
| C14 | C13 | C12 | H17 | 120.6° | 120.0° |
| C14 | C13 | C12 | N3 | 16.9° | 180.0° |
| C14 | C13 | C12 | O3 | 163.3° | 0.0° |
| C14 | C13 | H16 | H17 | 118.0° | 120.0° |
| C13 | C14 | C15 | H19 | 0.5° | 0.0° |
| C13 | C14 | C19 | H56 | 1.5° | 0.0° |
| C13 | C12 | N3 | O3 | 179.9° | 180.0° |
| C13 | C12 | N3 | C11 | 177.7° | 180.0° |
| C13 | C12 | N3 | H15 | 2.3° | 0.0° |
| C12 | C13 | H16 | H17 | 118.0° | 120.0° |
| O4 | C20 | C9 | N2 | 42.5° | 0.0° |
| O4 | C20 | C9 | C8 | 79.7° | 120.0° |
| O4 | C20 | C9 | O5 | 180.0° | 180.0° |
| O4 | C20 | C9 | H11 | 162.0° | 120.0° |
| O4 | C20 | O5 | H12 | 0.0° | 0.0° |
| C12 | N3 | C11 | H15 | 180.0° | 180.0° |
| C12 | N3 | C11 | C10 | 61.8° | 180.0° |
| C12 | N3 | C11 | H13 | 59.1° | 60.0° |
| C12 | N3 | C11 | H14 | 177.4° | 60.0° |
| N3 | C12 | C13 | H16 | 103.8° | 59.9° |
| N3 | C12 | C13 | H17 | 137.5° | 60.0° |
| C11 | N3 | C12 | O3 | 2.5° | 0.0° |
| N3 | C11 | C10 | N2 | 30.9° | 180.0° |
| N3 | C11 | C10 | H13 | 120.9° | 120.0° |
| N3 | C11 | C10 | H14 | 120.8° | 120.0° |
| N3 | C11 | C10 | O2 | 150.4° | 0.0° |
| N3 | C11 | H13 | H14 | 117.3° | 120.0° |
| O3 | C12 | N3 | H15 | 177.6° | 180.0° |
| O3 | C12 | C13 | H16 | 76.1° | 120.0° |
| O3 | C12 | C13 | H17 | 42.6° | 120.0° |
| C9 | N2 | C10 | H10 | 180.0° | 179.9° |
| C9 | N2 | C10 | C11 | 172.2° | 180.0° |
| N2 | C9 | C8 | C7 | 55.0° | 65.0° |
| N2 | C9 | C8 | C20 | 121.7° | 119.9° |
| N2 | C9 | C8 | H11 | 120.0° | 120.0° |
| N2 | C9 | C20 | H11 | 119.4° | 120.0° |
| N2 | C9 | C20 | O5 | 137.5° | 180.0° |
| C9 | N2 | C10 | O2 | 9.2° | 0.1° |
| N2 | C9 | C8 | H8 | 176.1° | 175.0° |
| N2 | C9 | C8 | H9 | 66.1° | 55.0° |
| N2 | C10 | C11 | O2 | 178.6° | 180.0° |
| C10 | N2 | C9 | C8 | 101.2° | 155.0° |
| C10 | N2 | C9 | C20 | 137.1° | 85.0° |
| C10 | N2 | C9 | H11 | 18.2° | 35.0° |
| N2 | C10 | C11 | H13 | 151.8° | 60.0° |
| N2 | C10 | C11 | H14 | 89.9° | 60.0° |
| C11 | C10 | N2 | H10 | 7.8° | 0.1° |
| C10 | C11 | H13 | H14 | 117.4° | 120.0° |
| C10 | C11 | N3 | H15 | 118.3° | 0.0° |
| C7 | C8 | C9 | H8 | 121.1° | 120.0° |
| C7 | C8 | C9 | H9 | 121.1° | 120.0° |
| C7 | C8 | C9 | C20 | 176.7° | 175.0° |
| C8 | C7 | C6 | H6 | 120.6° | 120.0° |
| C8 | C7 | C6 | H7 | 120.6° | 120.0° |
| C8 | C7 | C6 | C5 | 175.6° | 180.0° |
| C8 | C7 | C6 | H3 | 63.7° | 60.0° |
| C8 | C7 | C6 | H4 | 54.9° | 60.0° |
| C8 | C7 | H6 | H7 | 118.0° | 120.0° |
| C7 | C8 | H8 | H9 | 116.6° | 120.0° |
| C7 | C8 | C9 | H11 | 65.0° | 55.0° |
| C8 | C9 | C20 | H11 | 118.3° | 120.0° |
| C8 | C9 | C20 | O5 | 100.3° | 60.0° |
| C9 | C8 | C7 | C6 | 83.5° | 180.0° |
| C9 | C8 | C7 | H6 | 37.2° | 60.0° |
| C9 | C8 | C7 | H7 | 155.9° | 60.0° |
| C9 | C8 | H8 | H9 | 116.6° | 120.0° |
| C8 | C9 | N2 | H10 | 78.8° | 24.9° |
| O18 | P2 | O15 | O16 | 121.5° | 120.0° |
| O18 | P2 | O15 | O17 | 116.4° | 120.0° |
| O18 | P2 | O15 | C31 | 129.5° | 54.9° |
| O18 | P2 | O16 | O17 | 125.0° | 120.0° |
| O18 | P2 | O16 | H21 | 0.0° | 60.0° |
| O18 | P2 | O17 | H22 | 0.0° | 180.0° |
| C20 | C9 | C8 | H8 | 62.2° | 55.0° |
| C20 | C9 | C8 | H9 | 55.6° | 65.0° |
| C20 | C9 | N2 | H10 | 42.9° | 95.1° |
| C9 | C20 | O5 | H12 | 180.0° | 180.0° |
| O5 | C20 | C9 | H11 | 18.0° | 60.0° |
| C7 | C6 | C5 | N1 | 83.4° | 180.0° |
| C7 | C6 | C5 | H3 | 120.7° | 120.0° |
| C7 | C6 | C5 | H4 | 120.7° | 120.0° |
| C7 | C6 | C5 | H1 | 37.1° | 60.0° |
| C7 | C6 | C5 | H2 | 156.0° | 60.0° |
| C7 | C6 | H3 | H4 | 117.8° | 120.0° |
| C6 | C7 | H6 | H7 | 118.1° | 120.0° |
| C6 | C7 | C8 | H8 | 37.6° | 60.0° |
| C6 | C7 | C8 | H9 | 155.4° | 60.0° |
| O2 | C10 | N2 | H10 | 170.8° | 179.9° |
| O2 | C10 | C11 | H13 | 29.6° | 120.0° |
| O2 | C10 | C11 | H14 | 88.7° | 120.0° |
| O19 | C32 | C31 | O15 | 31.2° | 0.0° |
| O19 | C32 | C31 | C30 | 85.3° | 118.7° |
| O19 | C32 | C31 | C33 | 116.1° | 118.7° |
| O19 | C32 | C31 | H24 | 125.5° | 122.6° |
| O19 | C32 | C33 | H24 | 126.4° | 122.8° |
| O19 | C32 | C33 | O20 | 79.0° | 142.6° |
| O19 | C32 | C33 | N5 | 161.2° | 98.6° |
| O19 | C32 | C31 | H23 | 154.5° | 122.6° |
| O19 | C32 | C33 | H26 | 39.2° | 23.7° |
| C4 | C3 | S | H54 | 120.6° | 120.0° |
| C4 | C3 | S | H55 | 120.7° | 120.0° |
| C3 | C4 | N1 | O1 | 179.5° | 179.8° |
| C3 | C4 | N1 | C5 | 171.8° | 179.8° |
| C4 | C3 | S | C2 | 56.7° | 180.0° |
| C3 | C4 | N1 | H5 | 8.2° | 0.3° |
| C4 | C3 | H54 | H55 | 118.0° | 119.9° |
| S | C3 | C4 | N1 | 84.7° | 179.7° |
| S | C3 | C4 | O1 | 94.8° | 0.0° |
| C3 | S | C2 | C1 | 124.2° | 180.0° |
| C3 | S | C2 | H52 | 115.3° | 60.0° |
| C3 | S | C2 | H53 | 3.7° | 60.0° |
| S | C3 | H54 | H55 | 118.0° | 120.0° |
| O15 | P2 | O16 | O17 | 116.7° | 120.0° |
| P2 | O15 | C31 | C30 | 102.3° | 122.0° |
| P2 | O15 | C31 | C32 | 145.5° | 123.3° |
| O15 | P2 | O16 | H21 | 118.3° | 180.0° |
| O15 | P2 | O17 | H22 | 113.7° | 59.9° |
| P2 | O15 | C31 | H23 | 23.0° | 0.6° |
| C31 | O15 | P2 | O16 | 108.9° | 175.0° |
| C31 | O15 | P2 | O17 | 13.1° | 65.1° |
| O15 | C31 | C30 | C32 | 113.7° | 118.7° |
| O15 | C31 | C30 | H23 | 126.1° | 122.5° |
| O15 | C31 | C30 | O20 | 129.7° | 142.6° |
| O15 | C31 | C30 | C29 | 109.3° | 98.6° |
| O15 | C31 | C32 | H23 | 123.3° | 122.6° |
| O15 | C31 | C32 | C33 | 147.3° | 118.6° |
| O15 | C31 | C32 | H24 | 94.3° | 122.7° |
| O15 | C31 | C30 | H31 | 12.2° | 23.8° |
| O16 | P2 | O17 | H22 | 125.7° | 60.0° |
| O17 | P2 | O16 | H21 | 125.0° | 60.0° |
| C4 | N1 | C5 | H5 | 180.0° | 179.9° |
| C4 | N1 | C5 | C6 | 169.9° | 180.0° |
| C4 | N1 | C5 | H1 | 69.5° | 60.0° |
| C4 | N1 | C5 | H2 | 49.3° | 59.9° |
| N1 | C4 | C3 | H54 | 154.6° | 60.3° |
| N1 | C4 | C3 | H55 | 36.0° | 59.7° |
| N1 | C5 | C6 | H1 | 120.6° | 119.9° |
| N1 | C5 | C6 | H2 | 120.6° | 120.0° |
| C5 | N1 | C4 | O1 | 7.7° | 0.0° |
| N1 | C5 | H1 | H2 | 118.3° | 119.9° |
| N1 | C5 | C6 | H3 | 37.3° | 60.0° |
| N1 | C5 | C6 | H4 | 155.9° | 60.0° |
| C6 | C5 | H1 | H2 | 118.3° | 120.1° |
| C5 | C6 | H3 | H4 | 117.8° | 120.0° |
| C6 | C5 | N1 | H5 | 10.1° | 0.1° |
| C5 | C6 | C7 | H6 | 55.0° | 60.0° |
| C5 | C6 | C7 | H7 | 63.7° | 60.0° |
| O1 | C4 | N1 | H5 | 172.2° | 179.9° |
| O1 | C4 | C3 | H54 | 25.8° | 120.0° |
| O1 | C4 | C3 | H55 | 144.5° | 120.1° |
| C31 | C30 | O20 | C29 | 124.8° | 118.8° |
| C31 | C30 | O20 | H31 | 116.9° | 118.8° |
| C31 | C30 | C29 | H31 | 121.3° | 122.3° |
| C30 | C31 | C32 | H23 | 120.2° | 118.7° |
| C30 | C31 | C32 | C33 | 30.7° | 0.0° |
| C31 | C30 | O20 | C33 | 7.1° | 40.4° |
| C31 | C30 | C29 | O14 | 172.3° | 175.0° |
| C30 | C31 | C32 | H24 | 149.2° | 118.7° |
| C31 | C30 | C29 | H32 | 53.2° | 55.1° |
| C31 | C30 | C29 | H33 | 68.6° | 65.0° |
| O20 | C30 | C29 | H31 | 118.8° | 122.3° |
| O20 | C30 | C31 | C32 | 16.0° | 23.8° |
| C30 | O20 | C33 | C32 | 27.6° | 40.4° |
| O20 | C30 | C29 | O14 | 67.9° | 69.7° |
| C30 | O20 | C33 | N5 | 95.7° | 159.3° |
| O20 | C30 | C31 | H23 | 104.2° | 94.9° |
| C30 | O20 | C33 | H26 | 144.7° | 78.4° |
| O20 | C30 | C29 | H32 | 173.0° | 170.4° |
| O20 | C30 | C29 | H33 | 51.2° | 50.3° |
| C29 | C30 | C31 | C32 | 137.0° | 142.7° |
| C29 | C30 | O20 | C33 | 117.7° | 159.2° |
| C30 | C29 | O14 | H32 | 119.1° | 120.0° |
| C30 | C29 | O14 | H33 | 119.1° | 120.1° |
| C30 | C29 | O14 | P1 | 164.3° | 180.0° |
| C29 | C30 | C31 | H23 | 16.8° | 24.0° |
| C30 | C29 | H32 | H33 | 122.6° | 120.1° |
| S | C2 | C1 | H52 | 120.5° | 120.0° |
| S | C2 | C1 | H53 | 120.5° | 120.0° |
| S | C2 | C1 | N | 176.3° | 180.0° |
| S | C2 | C1 | H50 | 63.3° | 60.0° |
| S | C2 | C1 | H51 | 56.0° | 60.0° |
| S | C2 | H52 | H53 | 118.5° | 120.0° |
| C2 | S | C3 | H54 | 63.9° | 60.0° |
| C2 | S | C3 | H55 | 177.4° | 60.0° |
| O13 | P1 | O14 | C29 | 149.0° | 55.0° |
| O13 | P1 | O14 | O11 | 115.3° | 120.0° |
| O13 | P1 | O14 | O12 | 126.4° | 120.0° |
| O13 | P1 | O11 | O12 | 126.5° | 120.0° |
| O13 | P1 | O11 | P | 86.3° | 45.1° |
| O13 | P1 | O12 | H34 | 0.0° | 179.9° |
| C31 | C32 | C33 | H24 | 118.4° | 118.6° |
| C31 | C32 | C33 | O20 | 36.2° | 24.0° |
| C31 | C32 | C33 | N5 | 83.6° | 142.8° |
| C31 | C32 | O19 | H25 | 180.0° | 179.9° |
| C31 | C32 | C33 | H26 | 154.3° | 94.9° |
| C32 | C31 | C30 | H31 | 101.6° | 94.9° |
| C32 | C33 | O20 | N5 | 123.3° | 118.8° |
| C32 | C33 | O20 | H26 | 117.0° | 118.9° |
| C32 | C33 | N5 | H26 | 121.6° | 122.3° |
| C32 | C33 | N5 | C38 | 131.7° | 95.0° |
| C32 | C33 | N5 | C34 | 52.1° | 84.7° |
| C33 | C32 | C31 | H23 | 89.5° | 118.8° |
| C33 | C32 | O19 | H25 | 70.1° | 65.4° |
| O20 | C33 | N5 | H26 | 120.0° | 122.4° |
| O20 | C33 | N5 | C38 | 13.3° | 20.4° |
| O20 | C33 | N5 | C34 | 170.4° | 159.9° |
| O20 | C33 | C32 | H24 | 154.6° | 94.7° |
| C33 | O20 | C30 | H31 | 124.0° | 78.5° |
| C29 | O14 | P1 | O11 | 95.7° | 175.0° |
| C29 | O14 | P1 | O12 | 22.6° | 65.0° |
| O14 | C29 | C30 | H31 | 51.0° | 52.7° |
| O14 | C29 | H32 | H33 | 122.6° | 119.9° |
| O14 | P1 | O11 | O12 | 120.4° | 120.0° |
| O14 | P1 | O11 | P | 160.6° | 165.0° |
| P1 | O14 | C29 | H32 | 76.6° | 60.0° |
| P1 | O14 | C29 | H33 | 45.2° | 60.0° |
| O14 | P1 | O12 | H34 | 122.0° | 60.0° |
| C33 | N5 | C38 | C34 | 176.8° | 179.7° |
| C33 | N5 | C34 | N6 | 2.1° | 0.7° |
| C33 | N5 | C38 | N8 | 176.2° | 180.0° |
| C33 | N5 | C34 | C37 | 175.9° | 179.9° |
| N5 | C33 | C32 | H24 | 34.8° | 24.2° |
| C33 | N5 | C38 | H27 | 3.8° | 0.0° |
| P1 | O11 | P | O8 | 154.4° | 160.0° |
| P1 | O11 | P | O10 | 39.4° | 40.1° |
| P1 | O11 | P | O9 | 84.5° | 80.0° |
| O11 | P1 | O12 | H34 | 123.6° | 60.0° |
| O12 | P1 | O11 | P | 40.2° | 75.0° |
| C2 | C1 | N | H50 | 120.4° | 120.0° |
| C2 | C1 | N | H51 | 120.3° | 120.1° |
| C2 | C1 | N | C | 105.0° | 180.0° |
| C2 | C1 | N | H49 | 75.0° | 0.0° |
| C2 | C1 | H50 | H51 | 119.0° | 120.0° |
| C1 | C2 | H52 | H53 | 118.5° | 120.0° |
| O11 | P | O8 | C28 | 57.0° | 175.0° |
| O11 | P | O8 | O10 | 115.4° | 120.0° |
| O11 | P | O8 | O9 | 121.1° | 120.0° |
| O11 | P | O10 | O9 | 123.4° | 120.0° |
| O11 | P | O9 | H35 | 121.6° | 60.0° |
| C38 | N5 | C34 | N6 | 179.0° | 179.5° |
| N5 | C38 | N8 | H27 | 180.0° | 180.0° |
| C38 | N5 | C34 | C37 | 1.0° | 0.4° |
| N5 | C38 | N8 | C37 | 0.0° | 0.0° |
| C38 | N5 | C33 | H26 | 106.7° | 142.8° |
| N5 | C34 | N6 | C37 | 177.6° | 179.1° |
| N5 | C34 | N6 | C35 | 176.5° | 179.6° |
| C34 | N5 | C38 | N8 | 0.6° | 0.2° |
| N5 | C34 | C37 | N8 | 1.1° | 0.4° |
| N5 | C34 | C37 | C36 | 176.8° | 179.8° |
| C34 | N5 | C33 | H26 | 69.5° | 37.6° |
| C34 | N5 | C38 | H27 | 179.4° | 179.7° |
| C1 | N | C | H49 | 180.0° | 180.0° |
| C1 | N | C | O | 1.6° | 0.0° |
| C1 | N | C | C21 | 178.6° | 180.0° |
| N | C1 | H50 | H51 | 118.9° | 119.9° |
| N | C1 | C2 | H52 | 55.8° | 60.0° |
| N | C1 | C2 | H53 | 63.2° | 60.0° |
| C34 | N6 | C35 | N7 | 0.2° | 0.3° |
| N6 | C34 | C37 | N8 | 179.1° | 179.7° |
| N6 | C34 | C37 | C36 | 1.2° | 0.5° |
| C34 | N6 | C35 | H30 | 179.8° | 179.8° |
| C35 | N6 | C34 | C37 | 1.1° | 0.5° |
| N6 | C35 | N7 | H30 | 180.0° | 179.9° |
| N6 | C35 | N7 | C36 | 0.4° | 0.0° |
| O8 | C28 | C25 | H36 | 119.9° | 120.0° |
| O8 | C28 | C25 | H37 | 119.9° | 120.0° |
| O8 | C28 | C25 | C27 | 55.3° | 60.0° |
| C28 | O8 | P | O10 | 172.4° | 55.0° |
| C28 | O8 | P | O9 | 64.2° | 65.0° |
| O8 | C28 | C25 | C26 | 174.2° | 60.0° |
| O8 | C28 | C25 | C24 | 65.6° | 180.0° |
| O8 | C28 | H36 | H37 | 120.2° | 120.1° |
| C28 | C25 | C27 | C26 | 117.9° | 120.0° |
| C28 | C25 | C27 | C24 | 120.9° | 120.0° |
| C25 | C28 | O8 | P | 148.1° | 180.0° |
| C28 | C25 | C26 | C24 | 120.6° | 120.0° |
| C28 | C25 | C24 | O7 | 68.2° | 60.2° |
| C28 | C25 | C24 | C23 | 168.8° | 179.8° |
| C25 | C28 | H36 | H37 | 120.2° | 120.0° |
| C28 | C25 | C26 | H38 | 180.0° | 60.0° |
| C28 | C25 | C26 | H39 | 60.0° | 180.0° |
| C28 | C25 | C26 | H40 | 60.0° | 60.0° |
| C28 | C25 | C27 | H41 | 180.0° | 67.3° |
| C28 | C25 | C27 | H42 | 60.0° | 172.7° |
| C28 | C25 | C27 | H43 | 60.0° | 52.7° |
| C28 | C25 | C24 | H44 | 50.2° | 59.8° |
| C27 | C25 | C26 | C24 | 121.5° | 120.0° |
| C27 | C25 | C24 | O7 | 172.2° | 179.7° |
| C27 | C25 | C24 | C23 | 49.2° | 59.8° |
| C27 | C25 | C28 | H36 | 175.2° | 60.0° |
| C27 | C25 | C28 | H37 | 64.6° | 180.0° |
| C27 | C25 | C26 | H38 | 62.1° | 60.0° |
| C27 | C25 | C26 | H39 | 177.9° | 59.9° |
| C27 | C25 | C26 | H40 | 57.9° | 180.0° |
| C25 | C27 | H41 | H42 | 120.0° | 120.0° |
| C25 | C27 | H41 | H43 | 120.0° | 120.0° |
| C25 | C27 | H42 | H43 | 120.0° | 119.9° |
| C27 | C25 | C24 | H44 | 69.5° | 60.2° |
| O8 | P | O10 | O9 | 122.9° | 120.0° |
| O8 | P | O9 | H35 | 120.8° | 59.9° |
| P | O8 | C28 | H36 | 28.2° | 60.1° |
| P | O8 | C28 | H37 | 91.9° | 60.0° |
| C38 | N8 | C37 | C34 | 0.7° | 0.3° |
| C38 | N8 | C37 | C36 | 176.8° | 180.0° |
| C34 | C37 | N8 | C36 | 177.5° | 179.7° |
| C34 | C37 | C36 | N7 | 0.3° | 0.3° |
| C34 | C37 | C36 | N9 | 178.5° | 179.7° |
| O10 | P | O9 | H35 | 0.0° | 179.9° |
| C26 | C25 | C24 | O7 | 51.0° | 59.8° |
| C26 | C25 | C24 | C23 | 72.0° | 60.2° |
| C26 | C25 | C28 | H36 | 65.9° | 180.0° |
| C26 | C25 | C28 | H37 | 54.2° | 60.0° |
| C25 | C26 | H38 | H39 | 120.0° | 120.0° |
| C25 | C26 | H38 | H40 | 120.0° | 120.0° |
| C25 | C26 | H39 | H40 | 120.0° | 120.0° |
| C26 | C25 | C27 | H41 | 62.1° | 172.7° |
| C26 | C25 | C27 | H42 | 57.9° | 52.6° |
| C26 | C25 | C27 | H43 | 177.9° | 67.3° |
| C26 | C25 | C24 | H44 | 169.4° | 179.8° |
| N | C | O | C21 | 179.8° | 180.0° |
| N | C | C21 | C22 | 136.3° | 180.0° |
| N | C | C21 | H47 | 103.4° | 60.0° |
| N | C | C21 | H48 | 15.9° | 60.0° |
| C | N | C1 | H50 | 134.7° | 60.0° |
| C | N | C1 | H51 | 15.3° | 59.9° |
| C25 | C24 | O7 | C23 | 124.7° | 120.0° |
| C25 | C24 | O7 | H44 | 117.3° | 120.1° |
| C25 | C24 | C23 | H44 | 118.4° | 120.0° |
| C25 | C24 | C23 | O6 | 85.5° | 68.4° |
| C25 | C24 | C23 | N4 | 94.0° | 111.6° |
| C25 | C24 | O7 | H18 | 180.0° | 60.0° |
| C24 | C25 | C28 | H36 | 54.3° | 60.0° |
| C24 | C25 | C28 | H37 | 174.5° | 60.0° |
| C24 | C25 | C26 | H38 | 59.4° | 180.0° |
| C24 | C25 | C26 | H39 | 60.6° | 60.0° |
| C24 | C25 | C26 | H40 | 179.4° | 60.0° |
| C24 | C25 | C27 | H41 | 59.1° | 52.7° |
| C24 | C25 | C27 | H42 | 179.1° | 67.3° |
| C24 | C25 | C27 | H43 | 60.9° | 172.7° |
| C35 | N7 | C36 | C37 | 0.4° | 0.0° |
| C35 | N7 | C36 | N9 | 179.3° | 179.9° |
| N8 | C37 | C36 | N7 | 177.7° | 180.0° |
| N8 | C37 | C36 | N9 | 1.2° | 0.0° |
| C37 | N8 | C38 | H27 | 180.0° | 180.0° |
| C37 | C36 | N7 | N9 | 178.9° | 180.0° |
| C37 | C36 | N9 | H28 | 178.9° | 0.1° |
| C37 | C36 | N9 | H29 | 58.8° | 180.0° |
| O | C | C21 | C22 | 43.5° | 0.0° |
| O | C | C21 | H47 | 76.8° | 120.0° |
| O | C | C21 | H48 | 163.9° | 120.0° |
| O | C | N | H49 | 178.4° | 180.0° |
| C | C21 | C22 | H47 | 120.3° | 120.0° |
| C | C21 | C22 | H48 | 120.4° | 120.0° |
| C | C21 | C22 | N4 | 49.4° | 180.0° |
| C | C21 | C22 | H45 | 71.0° | 60.0° |
| C | C21 | C22 | H46 | 169.8° | 60.1° |
| C | C21 | H47 | H48 | 118.9° | 120.0° |
| C21 | C | N | H49 | 1.4° | 0.0° |
| O7 | C24 | C23 | H44 | 118.7° | 120.0° |
| O7 | C24 | C23 | O6 | 151.7° | 171.6° |
| O7 | C24 | C23 | N4 | 28.8° | 8.5° |
| C24 | C23 | O6 | N4 | 179.5° | 180.0° |
| C24 | C23 | N4 | C22 | 177.8° | 175.5° |
| C23 | C24 | O7 | H18 | 55.2° | 60.0° |
| C24 | C23 | N4 | H20 | 2.2° | 4.5° |
| N7 | C36 | N9 | H28 | 0.0° | 180.0° |
| N7 | C36 | N9 | H29 | 120.0° | 0.0° |
| C36 | N7 | C35 | H30 | 179.6° | 179.9° |
| C36 | N9 | H28 | H29 | 120.0° | 179.9° |
| O6 | C23 | N4 | C22 | 1.7° | 4.5° |
| O6 | C23 | N4 | H20 | 178.3° | 175.5° |
| O6 | C23 | C24 | H44 | 32.9° | 51.6° |
| C23 | N4 | C22 | C21 | 67.5° | 180.0° |
| C23 | N4 | C22 | H20 | 180.0° | 180.0° |
| N4 | C23 | C24 | H44 | 147.6° | 128.4° |
| C23 | N4 | C22 | H45 | 172.1° | 60.0° |
| C23 | N4 | C22 | H46 | 52.9° | 60.0° |
| C21 | C22 | N4 | H45 | 120.4° | 120.0° |
| C21 | C22 | N4 | H46 | 120.4° | 120.0° |
| C21 | C22 | N4 | H20 | 112.5° | 0.0° |
| C21 | C22 | H45 | H46 | 118.8° | 120.0° |
| C22 | C21 | H47 | H48 | 118.9° | 120.0° |
| N4 | C22 | H45 | H46 | 118.8° | 120.0° |
| N4 | C22 | C21 | H47 | 169.7° | 60.0° |
| N4 | C22 | C21 | H48 | 71.0° | 60.0° |
| H1 | C5 | C6 | H3 | 157.8° | 60.0° |
| H1 | C5 | C6 | H4 | 83.6° | 180.0° |
| H1 | C5 | N1 | H5 | 110.5° | 120.1° |
| H2 | C5 | C6 | H3 | 83.3° | 180.0° |
| H2 | C5 | C6 | H4 | 35.3° | 60.0° |
| H2 | C5 | N1 | H5 | 130.7° | 120.0° |
| H3 | C6 | C7 | H6 | 175.7° | 180.0° |
| H3 | C6 | C7 | H7 | 56.9° | 60.0° |
| H4 | C6 | C7 | H6 | 65.7° | 60.0° |
| H4 | C6 | C7 | H7 | 175.5° | 180.0° |
| H6 | C7 | C8 | H8 | 158.2° | 180.0° |
| H6 | C7 | C8 | H9 | 83.9° | 60.0° |
| H7 | C7 | C8 | H8 | 83.1° | 60.0° |
| H7 | C7 | C8 | H9 | 34.8° | 180.0° |
| H8 | C8 | C9 | H11 | 56.1° | 65.0° |
| H9 | C8 | C9 | H11 | 173.9° | 175.0° |
| H10 | N2 | C9 | H11 | 161.8° | 144.9° |
| H13 | C11 | N3 | H15 | 120.9° | 120.0° |
| H14 | C11 | N3 | H15 | 2.6° | 120.0° |
| H18 | O7 | C24 | H44 | 62.7° | 179.9° |
| H19 | C15 | C16 | H59 | 0.5° | 0.2° |
| H20 | N4 | C22 | H45 | 7.9° | 120.0° |
| H20 | N4 | C22 | H46 | 127.1° | 119.9° |
| H23 | C31 | C32 | H24 | 29.0° | 0.1° |
| H23 | C31 | C30 | H31 | 138.2° | 146.3° |
| H24 | C32 | O19 | H25 | 55.4° | 57.3° |
| H24 | C32 | C33 | H26 | 87.2° | 146.4° |
| H31 | C30 | C29 | H32 | 68.1° | 67.3° |
| H31 | C30 | C29 | H33 | 170.1° | 172.7° |
| H38 | C26 | H39 | H40 | 120.0° | 120.0° |
| H41 | C27 | H42 | H43 | 120.0° | 120.1° |
| H45 | C22 | C21 | H47 | 49.4° | 180.0° |
| H45 | C22 | C21 | H48 | 168.6° | 60.0° |
| H46 | C22 | C21 | H47 | 69.8° | 60.0° |
| H46 | C22 | C21 | H48 | 49.4° | 180.0° |
| H49 | N | C1 | H50 | 45.3° | 120.1° |
| H49 | N | C1 | H51 | 164.6° | 120.0° |
| H50 | C1 | C2 | H52 | 176.2° | 180.0° |
| H50 | C1 | C2 | H53 | 57.2° | 60.0° |
| H51 | C1 | C2 | H52 | 64.5° | 60.1° |
| H51 | C1 | C2 | H53 | 176.5° | 180.0° |
| H56 | C19 | C18 | H57 | 1.5° | 0.2° |
| H57 | C18 | C17 | H58 | 0.9° | 0.3° |
| H58 | C17 | C16 | H59 | 0.1° | 0.3° |
