5TW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O36 | C35 | doub | 1.21Å | 1.23Å | |
| S01 | C33 | sing | 1.81Å | 1.83Å | |
| S01 | C02 | sing | 1.71Å | 1.75Å | |
| C20 | C16 | sing | 1.53Å | 1.54Å | |
| C18 | C19 | sing | 1.55Å | 1.54Å | |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| C19 | C05 | sing | 1.55Å | 1.54Å | |
| C33 | C32 | sing | 1.53Å | 1.53Å | |
| C35 | N34 | sing | 1.35Å | 1.35Å | |
| C32 | N34 | sing | 1.46Å | 1.47Å | |
| C04 | C02 | sing | 1.51Å | 1.53Å | |
| C04 | C05 | sing | 1.53Å | 1.54Å | |
| C04 | C03 | sing | 1.53Å | 1.53Å | |
| C02 | O06 | doub | 1.21Å | 1.23Å | |
| C24 | C25 | sing | 1.53Å | 1.51Å | |
| C24 | C17 | sing | 1.52Å | 1.51Å | |
| C24 | C23 | sing | 1.54Å | 1.52Å | |
| C25 | C12 | sing | 1.53Å | 1.53Å | |
| C16 | C17 | sing | 1.55Å | 1.51Å | |
| C16 | C05 | sing | 1.52Å | 1.53Å | |
| C16 | C15 | sing | 1.52Å | 1.52Å | |
| C12 | C11 | sing | 1.52Å | 1.41Å | |
| C21 | C13 | sing | 1.53Å | 1.53Å | |
| C11 | C13 | sing | 1.50Å | 1.43Å | |
| C11 | C10 | doub | 1.33Å | 1.40Å | |
| C14 | C23 | sing | 1.53Å | 1.54Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C23 | C13 | sing | 1.53Å | 1.54Å | |
| C13 | C07 | sing | 1.51Å | 1.54Å | |
| C10 | C09 | sing | 1.47Å | 1.40Å | |
| C07 | C08 | sing | 1.53Å | 1.54Å | |
| C09 | C08 | sing | 1.52Å | 1.41Å | |
| C09 | O22 | doub | 1.21Å | 1.23Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C19 | H2 | sing | 1.09Å | 1.10Å | |
| C19 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C18 | H6 | sing | 1.09Å | 1.10Å | |
| C18 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C21 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.09Å | 1.10Å | |
| C21 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C03 | H19 | sing | 1.09Å | 1.10Å | |
| C03 | H20 | sing | 1.09Å | 1.10Å | |
| C03 | H21 | sing | 1.09Å | 1.10Å | |
| C04 | H22 | sing | 1.09Å | 1.10Å | |
| C05 | H23 | sing | 1.09Å | 1.10Å | |
| C07 | H24 | sing | 1.09Å | 1.10Å | |
| C07 | H25 | sing | 1.09Å | 1.10Å | |
| C08 | H26 | sing | 1.09Å | 1.10Å | |
| C08 | H27 | sing | 1.09Å | 1.10Å | |
| C23 | H28 | sing | 1.09Å | 1.10Å | |
| C24 | H29 | sing | 1.09Å | 1.10Å | |
| C25 | H30 | sing | 1.09Å | 1.10Å | |
| C25 | H31 | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H34 | sing | 1.09Å | 1.10Å | |
| C33 | H35 | sing | 1.09Å | 1.10Å | |
| N34 | H36 | sing | 0.97Å | 1.00Å | |
| C35 | C1 | sing | 1.51Å | 23.95Å | |
| C1 | C2 | sing | 1.53Å | 0.00Å | |
| C2 | N1 | sing | 1.47Å | 0.00Å | |
| N1 | C3 | sing | 1.35Å | 0.00Å | |
| C3 | O1 | doub | 1.21Å | 0.00Å | |
| C3 | C5 | sing | 1.51Å | 0.00Å | |
| C5 | C4 | sing | 1.53Å | 0.00Å | |
| C4 | C6 | sing | 1.53Å | 0.00Å | |
| C4 | C7 | sing | 1.53Å | 0.00Å | |
| C4 | C8 | sing | 1.53Å | 0.00Å | |
| C5 | O2 | sing | 1.43Å | 0.00Å | |
| C8 | O3 | sing | 1.43Å | 0.00Å | |
| O3 | P1 | sing | 1.61Å | 0.00Å | |
| P1 | O6 | sing | 1.61Å | 0.00Å | |
| P1 | O4 | doub | 1.48Å | 0.00Å | |
| P1 | O5 | sing | 1.61Å | 0.00Å | |
| O5 | P2 | sing | 1.61Å | 0.00Å | |
| P2 | O7 | doub | 1.48Å | 0.00Å | |
| P2 | O9 | sing | 1.61Å | 0.00Å | |
| P2 | O8 | sing | 1.61Å | 0.00Å | |
| O8 | C9 | sing | 1.43Å | 0.00Å | |
| C9 | C22 | sing | 1.53Å | 0.00Å | |
| C22 | C26 | sing | 1.54Å | 0.00Å | |
| C26 | C27 | sing | 1.55Å | 0.00Å | |
| C27 | C28 | sing | 1.55Å | 0.00Å | |
| C28 | O10 | sing | 1.44Å | 0.00Å | |
| O10 | C22 | sing | 1.44Å | 0.00Å | |
| C26 | O11 | sing | 1.43Å | 0.00Å | |
| O11 | P3 | sing | 1.61Å | 0.00Å | |
| P3 | O12 | doub | 1.48Å | 0.00Å | |
| P3 | O13 | sing | 1.61Å | 0.00Å | |
| P3 | O14 | sing | 1.61Å | 0.00Å | |
| C27 | O15 | sing | 1.43Å | 0.00Å | |
| C28 | N2 | sing | 1.47Å | 0.00Å | |
| N2 | C30 | sing | 1.36Å | 0.00Å | Aromatic |
| C30 | N3 | doub | 1.30Å | 0.00Å | Aromatic |
| N3 | C34 | sing | 1.35Å | 0.00Å | Aromatic |
| C34 | C36 | doub | 1.41Å | 0.00Å | Aromatic |
| C36 | N2 | sing | 1.37Å | 0.00Å | Aromatic |
| C34 | C29 | sing | 1.41Å | 0.00Å | Aromatic |
| C29 | N5 | doub | 1.33Å | 0.00Å | Aromatic |
| N5 | C37 | sing | 1.32Å | 0.00Å | Aromatic |
| C37 | N6 | doub | 1.32Å | 0.00Å | Aromatic |
| N6 | C36 | sing | 1.33Å | 0.00Å | Aromatic |
| C29 | N4 | sing | 1.38Å | 0.00Å | |
| C1 | H37 | sing | 1.09Å | 0.00Å | |
| C1 | H38 | sing | 1.09Å | 0.00Å | |
| C2 | H39 | sing | 1.09Å | 0.00Å | |
| C2 | H40 | sing | 1.09Å | 0.00Å | |
| N1 | H41 | sing | 0.97Å | 0.00Å | |
| C5 | H42 | sing | 1.09Å | 0.00Å | |
| C6 | H43 | sing | 1.09Å | 0.00Å | |
| C6 | H44 | sing | 1.09Å | 0.00Å | |
| C6 | H45 | sing | 1.09Å | 0.00Å | |
| C7 | H46 | sing | 1.09Å | 0.00Å | |
| C7 | H47 | sing | 1.09Å | 0.00Å | |
| C7 | H48 | sing | 1.09Å | 0.00Å | |
| C8 | H49 | sing | 1.09Å | 0.00Å | |
| C8 | H50 | sing | 1.09Å | 0.00Å | |
| O2 | H51 | sing | 0.97Å | 0.00Å | |
| O6 | H52 | sing | 0.97Å | 0.00Å | |
| O9 | H53 | sing | 0.97Å | 0.00Å | |
| C9 | H54 | sing | 1.09Å | 0.00Å | |
| C9 | H55 | sing | 1.09Å | 0.00Å | |
| C22 | H56 | sing | 1.09Å | 0.00Å | |
| C26 | H57 | sing | 1.09Å | 0.00Å | |
| C27 | H58 | sing | 1.09Å | 0.00Å | |
| C28 | H59 | sing | 1.09Å | 0.00Å | |
| O13 | H60 | sing | 0.97Å | 0.00Å | |
| O14 | H61 | sing | 0.97Å | 0.00Å | |
| O15 | H62 | sing | 0.97Å | 0.00Å | |
| C30 | H63 | sing | 1.08Å | 0.00Å | |
| C37 | H64 | sing | 1.08Å | 0.00Å | |
| N4 | H65 | sing | 0.97Å | 0.00Å | |
| N4 | H66 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O36 | C35 | N34 | 123.2° | 120.0° |
| O36 | C35 | C1 | 28.1° | 120.0° |
| C33 | S01 | C02 | 99.7° | 100.0° |
| S01 | C33 | C32 | 112.5° | 109.5° |
| S01 | C33 | H34 | 108.7° | 109.5° |
| S01 | C33 | H35 | 108.7° | 109.5° |
| S01 | C02 | C04 | 115.8° | 120.0° |
| S01 | C02 | O06 | 123.4° | 120.0° |
| C20 | C16 | C17 | 111.3° | 109.8° |
| C20 | C16 | C05 | 112.8° | 109.8° |
| C20 | C16 | C15 | 110.9° | 109.8° |
| C16 | C20 | H9 | 109.5° | 109.5° |
| C16 | C20 | H10 | 109.5° | 109.5° |
| C16 | C20 | H11 | 109.5° | 109.5° |
| C19 | C18 | C17 | 100.4° | 102.9° |
| C18 | C19 | C05 | 106.0° | 106.4° |
| C18 | C19 | H2 | 110.3° | 110.1° |
| C18 | C19 | H3 | 110.3° | 110.1° |
| C19 | C18 | H6 | 111.7° | 110.7° |
| C19 | C18 | H7 | 111.7° | 110.7° |
| C18 | C17 | C24 | 115.3° | 115.8° |
| C18 | C17 | C16 | 100.9° | 101.7° |
| C17 | C18 | H6 | 111.7° | 110.7° |
| C17 | C18 | H7 | 111.7° | 110.8° |
| C18 | C17 | H8 | 109.3° | 110.4° |
| C19 | C05 | C04 | 108.5° | 110.2° |
| C19 | C05 | C16 | 102.7° | 105.4° |
| C05 | C19 | H2 | 110.3° | 110.1° |
| C05 | C19 | H3 | 110.3° | 110.1° |
| C19 | C05 | H23 | 109.4° | 110.3° |
| C33 | C32 | N34 | 109.5° | 109.5° |
| C33 | C32 | H32 | 109.4° | 109.5° |
| C33 | C32 | H33 | 109.5° | 109.5° |
| C32 | C33 | H34 | 108.7° | 109.4° |
| C32 | C33 | H35 | 108.7° | 109.5° |
| C35 | N34 | C32 | 123.6° | 120.0° |
| C35 | N34 | H36 | 118.2° | 120.0° |
| N34 | C35 | C1 | 100.3° | 120.0° |
| N34 | C32 | H32 | 109.5° | 109.4° |
| N34 | C32 | H33 | 109.5° | 109.5° |
| C32 | N34 | H36 | 118.2° | 120.0° |
| C02 | C04 | C05 | 107.4° | 109.5° |
| C02 | C04 | C03 | 107.5° | 109.4° |
| C04 | C02 | O06 | 120.7° | 120.0° |
| C02 | C04 | H22 | 109.7° | 109.4° |
| C05 | C04 | C03 | 112.8° | 109.5° |
| C04 | C05 | C16 | 116.9° | 110.3° |
| C05 | C04 | H22 | 109.6° | 109.5° |
| C04 | C05 | H23 | 109.4° | 110.3° |
| C04 | C03 | H19 | 109.5° | 109.4° |
| C04 | C03 | H20 | 109.5° | 109.5° |
| C04 | C03 | H21 | 109.5° | 109.4° |
| C03 | C04 | H22 | 109.7° | 109.4° |
| C25 | C24 | C17 | 110.0° | 110.0° |
| C25 | C24 | C23 | 107.4° | 109.9° |
| C24 | C25 | C12 | 110.8° | 109.9° |
| C25 | C24 | H29 | 111.0° | 109.7° |
| C24 | C25 | H30 | 109.1° | 109.4° |
| C24 | C25 | H31 | 109.1° | 109.4° |
| C17 | C24 | C23 | 106.6° | 107.4° |
| C24 | C17 | C16 | 112.1° | 107.1° |
| C24 | C17 | H8 | 109.4° | 110.3° |
| C17 | C24 | H29 | 110.9° | 109.6° |
| C24 | C23 | C14 | 109.0° | 111.6° |
| C24 | C23 | C13 | 113.4° | 108.6° |
| C24 | C23 | H28 | 108.0° | 108.6° |
| C23 | C24 | H29 | 110.8° | 110.2° |
| C25 | C12 | C11 | 113.0° | 107.7° |
| C25 | C12 | H4 | 108.6° | 109.8° |
| C25 | C12 | H5 | 108.6° | 109.9° |
| C12 | C25 | H30 | 109.1° | 109.4° |
| C12 | C25 | H31 | 109.1° | 109.4° |
| C17 | C16 | C05 | 98.7° | 103.3° |
| C17 | C16 | C15 | 107.9° | 107.2° |
| C16 | C17 | H8 | 109.5° | 111.2° |
| C05 | C16 | C15 | 114.6° | 116.6° |
| C16 | C05 | H23 | 109.6° | 110.3° |
| C16 | C15 | C14 | 110.0° | 107.4° |
| C16 | C15 | H15 | 109.4° | 109.9° |
| C16 | C15 | H16 | 109.4° | 109.9° |
| C12 | C11 | C13 | 120.1° | 117.4° |
| C12 | C11 | C10 | 117.0° | 118.7° |
| C11 | C12 | H4 | 108.6° | 109.8° |
| C11 | C12 | H5 | 108.6° | 109.8° |
| C21 | C13 | C11 | 107.7° | 106.7° |
| C21 | C13 | C23 | 110.2° | 106.1° |
| C21 | C13 | C07 | 109.2° | 106.8° |
| C13 | C21 | H12 | 109.5° | 109.5° |
| C13 | C21 | H13 | 109.5° | 109.5° |
| C13 | C21 | H14 | 109.5° | 109.5° |
| C13 | C11 | C10 | 122.5° | 123.8° |
| C11 | C13 | C23 | 110.7° | 109.4° |
| C11 | C13 | C07 | 113.9° | 115.4° |
| C11 | C10 | C09 | 119.7° | 119.1° |
| C11 | C10 | H1 | 120.1° | 120.5° |
| C23 | C14 | C15 | 109.3° | 111.7° |
| C14 | C23 | C13 | 110.6° | 109.5° |
| C23 | C14 | H17 | 109.5° | 109.1° |
| C23 | C14 | H18 | 109.5° | 109.1° |
| C14 | C23 | H28 | 107.7° | 109.2° |
| C14 | C15 | H15 | 109.3° | 109.9° |
| C14 | C15 | H16 | 109.3° | 109.8° |
| C15 | C14 | H17 | 109.5° | 109.0° |
| C15 | C14 | H18 | 109.5° | 109.1° |
| C23 | C13 | C07 | 105.1° | 111.9° |
| C13 | C23 | H28 | 107.8° | 109.3° |
| C13 | C07 | C08 | 111.3° | 112.3° |
| C13 | C07 | H24 | 109.0° | 108.9° |
| C13 | C07 | H25 | 109.0° | 108.9° |
| C10 | C09 | C08 | 122.1° | 116.1° |
| C10 | C09 | O22 | 118.3° | 122.0° |
| C09 | C10 | H1 | 120.2° | 120.4° |
| C07 | C08 | C09 | 112.4° | 107.6° |
| C08 | C07 | H24 | 109.0° | 109.0° |
| C08 | C07 | H25 | 109.0° | 108.9° |
| C07 | C08 | H26 | 108.7° | 109.8° |
| C07 | C08 | H27 | 108.7° | 109.8° |
| C08 | C09 | O22 | 119.7° | 122.0° |
| C09 | C08 | H26 | 108.7° | 109.8° |
| C09 | C08 | H27 | 108.7° | 109.9° |
| H2 | C19 | H3 | 109.5° | 110.0° |
| H4 | C12 | H5 | 109.5° | 109.8° |
| H6 | C18 | H7 | 109.5° | 110.8° |
| H9 | C20 | H10 | 109.4° | 109.4° |
| H9 | C20 | H11 | 109.5° | 109.5° |
| H10 | C20 | H11 | 109.5° | 109.4° |
| H12 | C21 | H13 | 109.5° | 109.4° |
| H12 | C21 | H14 | 109.4° | 109.5° |
| H13 | C21 | H14 | 109.5° | 109.4° |
| H15 | C15 | H16 | 109.5° | 109.9° |
| H17 | C14 | H18 | 109.5° | 108.9° |
| H19 | C03 | H20 | 109.5° | 109.5° |
| H19 | C03 | H21 | 109.5° | 109.4° |
| H20 | C03 | H21 | 109.4° | 109.5° |
| H24 | C07 | H25 | 109.5° | 108.9° |
| H26 | C08 | H27 | 109.5° | 109.9° |
| H30 | C25 | H31 | 109.5° | 109.3° |
| H32 | C32 | H33 | 109.5° | 109.5° |
| H34 | C33 | H35 | 109.5° | 109.5° |
| C35 | C1 | C2 | 90.0° | 109.5° |
| C35 | C1 | H37 | 90.0° | 109.4° |
| C35 | C1 | H38 | 90.0° | 109.5° |
| C1 | C2 | N1 | 90.0° | 109.5° |
| C2 | C1 | H37 | 90.0° | 109.5° |
| C2 | C1 | H38 | 90.0° | 109.6° |
| C1 | C2 | H39 | 90.0° | 109.5° |
| C1 | C2 | H40 | 90.0° | 109.6° |
| C2 | N1 | C3 | 90.0° | 120.0° |
| N1 | C2 | H39 | 90.0° | 109.4° |
| N1 | C2 | H40 | 90.0° | 109.5° |
| C2 | N1 | H41 | 90.0° | 120.0° |
| N1 | C3 | O1 | 90.0° | 120.0° |
| N1 | C3 | C5 | 90.0° | 120.0° |
| C3 | N1 | H41 | 90.0° | 120.0° |
| O1 | C3 | C5 | 90.0° | 120.0° |
| C3 | C5 | C4 | 90.0° | 109.5° |
| C3 | C5 | O2 | 90.0° | 109.5° |
| C3 | C5 | H42 | 90.0° | 109.4° |
| C5 | C4 | C6 | 90.0° | 109.5° |
| C5 | C4 | C7 | 90.0° | 109.5° |
| C5 | C4 | C8 | 90.0° | 109.5° |
| C4 | C5 | O2 | 90.0° | 109.5° |
| C4 | C5 | H42 | 90.0° | 109.4° |
| C6 | C4 | C7 | 90.0° | 109.5° |
| C6 | C4 | C8 | 90.0° | 109.5° |
| C4 | C6 | H43 | 90.0° | 109.4° |
| C4 | C6 | H44 | 90.0° | 109.5° |
| C4 | C6 | H45 | 90.0° | 109.4° |
| C7 | C4 | C8 | 90.0° | 109.4° |
| C4 | C7 | H46 | 90.0° | 109.5° |
| C4 | C7 | H47 | 90.0° | 109.5° |
| C4 | C7 | H48 | 90.0° | 109.4° |
| C4 | C8 | O3 | 90.0° | 109.4° |
| C4 | C8 | H49 | 90.0° | 109.5° |
| C4 | C8 | H50 | 90.0° | 109.4° |
| O2 | C5 | H42 | 90.0° | 109.5° |
| C5 | O2 | H51 | 90.0° | 114.0° |
| C8 | O3 | P1 | 90.0° | 123.0° |
| O3 | C8 | H49 | 90.0° | 109.5° |
| O3 | C8 | H50 | 90.0° | 109.5° |
| O3 | P1 | O6 | 90.0° | 109.5° |
| O3 | P1 | O4 | 90.0° | 109.5° |
| O3 | P1 | O5 | 90.0° | 109.5° |
| O6 | P1 | O4 | 90.0° | 109.5° |
| O6 | P1 | O5 | 90.0° | 109.4° |
| P1 | O6 | H52 | 90.0° | 114.0° |
| O4 | P1 | O5 | 90.0° | 109.5° |
| P1 | O5 | P2 | 90.0° | 134.0° |
| O5 | P2 | O7 | 90.0° | 109.5° |
| O5 | P2 | O9 | 90.0° | 109.5° |
| O5 | P2 | O8 | 90.0° | 109.5° |
| O7 | P2 | O9 | 90.0° | 109.5° |
| O7 | P2 | O8 | 90.0° | 109.5° |
| O9 | P2 | O8 | 90.0° | 109.5° |
| P2 | O9 | H53 | 90.0° | 114.0° |
| P2 | O8 | C9 | 90.0° | 123.0° |
| O8 | C9 | C22 | 90.0° | 109.5° |
| O8 | C9 | H54 | 90.0° | 109.5° |
| O8 | C9 | H55 | 90.0° | 109.5° |
| C9 | C22 | C26 | 90.0° | 109.9° |
| C9 | C22 | O10 | 90.0° | 109.9° |
| C22 | C9 | H54 | 90.0° | 109.4° |
| C22 | C9 | H55 | 90.0° | 109.5° |
| C9 | C22 | H56 | 90.0° | 109.8° |
| C22 | C26 | C27 | 90.0° | 104.2° |
| C26 | C22 | O10 | 90.0° | 107.3° |
| C22 | C26 | O11 | 90.0° | 110.5° |
| C26 | C22 | H56 | 90.0° | 109.9° |
| C22 | C26 | H57 | 90.0° | 110.4° |
| C26 | C27 | C28 | 90.0° | 102.1° |
| C27 | C26 | O11 | 90.0° | 110.5° |
| C26 | C27 | O15 | 90.0° | 110.9° |
| C27 | C26 | H57 | 90.0° | 110.5° |
| C26 | C27 | H58 | 90.0° | 110.9° |
| C27 | C28 | O10 | 90.0° | 103.5° |
| C28 | C27 | O15 | 90.0° | 110.9° |
| C27 | C28 | N2 | 90.0° | 110.6° |
| C28 | C27 | H58 | 90.0° | 110.9° |
| C27 | C28 | H59 | 90.0° | 110.6° |
| C28 | O10 | C22 | 90.0° | 106.9° |
| O10 | C28 | N2 | 90.0° | 110.6° |
| O10 | C28 | H59 | 90.0° | 110.6° |
| O10 | C22 | H56 | 90.0° | 110.0° |
| C26 | O11 | P3 | 90.0° | 123.0° |
| O11 | C26 | H57 | 90.0° | 110.6° |
| O11 | P3 | O12 | 90.0° | 109.5° |
| O11 | P3 | O13 | 90.0° | 109.5° |
| O11 | P3 | O14 | 90.0° | 109.4° |
| O12 | P3 | O13 | 90.0° | 109.5° |
| O12 | P3 | O14 | 90.0° | 109.5° |
| O13 | P3 | O14 | 90.0° | 109.4° |
| P3 | O13 | H60 | 90.0° | 114.0° |
| P3 | O14 | H61 | 90.0° | 114.0° |
| O15 | C27 | H58 | 90.0° | 110.8° |
| C27 | O15 | H62 | 90.0° | 114.0° |
| C28 | N2 | C30 | 90.0° | 126.3° |
| C28 | N2 | C36 | 90.0° | 126.3° |
| N2 | C28 | H59 | 90.0° | 110.6° |
| N2 | C30 | N3 | 90.0° | 110.0° |
| C30 | N2 | C36 | 90.0° | 107.5° |
| N2 | C30 | H63 | 90.0° | 125.0° |
| C30 | N3 | C34 | 90.0° | 109.4° |
| N3 | C30 | H63 | 90.0° | 125.0° |
| N3 | C34 | C36 | 90.0° | 107.1° |
| N3 | C34 | C29 | 90.0° | 134.7° |
| C34 | C36 | N2 | 90.0° | 106.0° |
| C36 | C34 | C29 | 90.0° | 118.1° |
| C34 | C36 | N6 | 90.0° | 119.1° |
| N2 | C36 | N6 | 90.0° | 134.9° |
| C34 | C29 | N5 | 90.0° | 118.5° |
| C34 | C29 | N4 | 90.0° | 120.7° |
| C29 | N5 | C37 | 90.0° | 121.2° |
| N5 | C29 | N4 | 90.0° | 120.8° |
| N5 | C37 | N6 | 90.0° | 122.5° |
| N5 | C37 | H64 | 90.0° | 118.8° |
| C37 | N6 | C36 | 90.0° | 120.6° |
| N6 | C37 | H64 | 90.0° | 118.8° |
| C29 | N4 | H65 | 90.0° | 120.0° |
| C29 | N4 | H66 | 90.0° | 120.0° |
| H37 | C1 | H38 | 90.0° | 109.5° |
| H39 | C2 | H40 | 90.0° | 109.4° |
| H43 | C6 | H44 | 90.0° | 109.5° |
| H43 | C6 | H45 | 90.0° | 109.5° |
| H44 | C6 | H45 | 90.0° | 109.5° |
| H46 | C7 | H47 | 90.0° | 109.5° |
| H46 | C7 | H48 | 90.0° | 109.5° |
| H47 | C7 | H48 | 90.0° | 109.4° |
| H49 | C8 | H50 | 90.0° | 109.4° |
| H54 | C9 | H55 | 90.0° | 109.5° |
| H65 | N4 | H66 | 90.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O36 | C35 | N34 | C1 | 17.7° | 179.9° |
| O36 | C35 | N34 | C32 | 0.2° | 0.0° |
| O36 | C35 | N34 | H36 | 179.8° | 179.9° |
| O36 | C35 | C1 | C2 | 90.0° | 0.1° |
| O36 | C35 | C1 | H37 | 90.0° | 120.0° |
| O36 | C35 | C1 | H38 | 90.0° | 120.0° |
| S01 | C33 | C32 | H34 | 120.4° | 120.0° |
| S01 | C33 | C32 | H35 | 120.5° | 120.0° |
| S01 | C33 | C32 | N34 | 177.8° | 180.0° |
| C33 | S01 | C02 | C04 | 180.0° | 180.0° |
| C33 | S01 | C02 | O06 | 0.5° | 0.0° |
| S01 | C33 | C32 | H32 | 57.8° | 60.0° |
| S01 | C33 | C32 | H33 | 62.2° | 60.0° |
| S01 | C33 | H34 | H35 | 118.6° | 120.1° |
| C02 | S01 | C33 | C32 | 80.3° | 180.0° |
| S01 | C02 | C04 | O06 | 179.6° | 180.0° |
| S01 | C02 | C04 | C05 | 112.5° | 180.0° |
| S01 | C02 | C04 | C03 | 125.8° | 59.9° |
| S01 | C02 | C04 | H22 | 6.6° | 60.0° |
| C02 | S01 | C33 | H34 | 40.1° | 60.0° |
| C02 | S01 | C33 | H35 | 159.2° | 60.0° |
| C20 | C16 | C17 | C18 | 62.7° | 72.7° |
| C20 | C16 | C05 | C19 | 75.5° | 87.8° |
| C20 | C16 | C05 | C04 | 43.1° | 31.1° |
| C20 | C16 | C17 | C24 | 60.5° | 49.2° |
| C20 | C16 | C17 | C05 | 118.7° | 117.1° |
| C20 | C16 | C17 | C15 | 121.9° | 119.2° |
| C20 | C16 | C05 | C15 | 128.1° | 125.7° |
| C20 | C16 | C15 | C14 | 64.3° | 54.7° |
| C20 | C16 | C17 | H8 | 177.9° | 169.8° |
| C16 | C20 | H9 | H10 | 120.0° | 120.0° |
| C16 | C20 | H9 | H11 | 120.0° | 120.1° |
| C16 | C20 | H10 | H11 | 120.0° | 120.0° |
| C20 | C16 | C15 | H15 | 55.8° | 64.8° |
| C20 | C16 | C15 | H16 | 175.7° | 174.1° |
| C20 | C16 | C05 | H23 | 168.3° | 153.2° |
| C19 | C18 | C17 | H6 | 118.5° | 118.3° |
| C19 | C18 | C17 | H7 | 118.5° | 118.4° |
| C18 | C19 | C05 | H2 | 119.5° | 119.2° |
| C18 | C19 | C05 | H3 | 119.5° | 119.2° |
| C18 | C19 | C05 | C04 | 138.2° | 122.4° |
| C19 | C18 | C17 | C24 | 167.7° | 157.3° |
| C19 | C18 | C17 | C16 | 46.7° | 41.6° |
| C18 | C19 | C05 | C16 | 13.8° | 3.4° |
| C18 | C19 | H2 | H3 | 121.6° | 121.5° |
| C19 | C18 | H6 | H7 | 124.2° | 123.2° |
| C19 | C18 | C17 | H8 | 68.6° | 76.5° |
| C18 | C19 | C05 | H23 | 102.5° | 115.6° |
| C17 | C18 | C19 | C05 | 19.7° | 24.0° |
| C18 | C17 | C24 | C25 | 65.9° | 63.5° |
| C18 | C17 | C24 | C16 | 114.7° | 112.6° |
| C18 | C17 | C24 | H8 | 123.7° | 126.3° |
| C18 | C17 | C24 | C23 | 178.0° | 177.0° |
| C18 | C17 | C16 | H8 | 115.2° | 117.5° |
| C18 | C17 | C16 | C05 | 56.0° | 44.4° |
| C18 | C17 | C16 | C15 | 175.4° | 168.1° |
| C17 | C18 | C19 | H2 | 139.2° | 143.3° |
| C17 | C18 | C19 | H3 | 99.8° | 95.3° |
| C17 | C18 | H6 | H7 | 124.2° | 123.3° |
| C18 | C17 | C24 | H29 | 57.2° | 57.2° |
| C19 | C05 | C04 | C02 | 66.6° | 61.4° |
| C19 | C05 | C04 | C16 | 115.5° | 115.9° |
| C19 | C05 | C04 | H23 | 119.3° | 122.0° |
| C19 | C05 | C04 | C03 | 175.1° | 178.6° |
| C19 | C05 | C16 | C17 | 42.0° | 29.2° |
| C19 | C05 | C16 | H23 | 116.2° | 119.0° |
| C19 | C05 | C16 | C15 | 156.4° | 146.5° |
| C05 | C19 | H2 | H3 | 121.6° | 121.5° |
| C05 | C19 | C18 | H6 | 138.2° | 142.3° |
| C05 | C19 | C18 | H7 | 98.8° | 94.4° |
| C19 | C05 | C04 | H22 | 52.6° | 58.6° |
| C33 | C32 | N34 | C35 | 92.6° | 180.0° |
| C33 | C32 | N34 | H32 | 120.0° | 120.0° |
| C33 | C32 | N34 | H33 | 120.0° | 120.0° |
| C33 | C32 | H32 | H33 | 120.0° | 120.0° |
| C32 | C33 | H34 | H35 | 118.6° | 120.0° |
| C33 | C32 | N34 | H36 | 87.5° | 0.1° |
| C35 | N34 | C32 | H36 | 180.0° | 179.9° |
| C35 | N34 | C32 | H32 | 27.4° | 60.0° |
| C35 | N34 | C32 | H33 | 147.4° | 60.0° |
| N34 | C35 | C1 | C2 | 90.0° | 180.0° |
| N34 | C35 | C1 | H37 | 90.0° | 60.0° |
| N34 | C35 | C1 | H38 | 90.0° | 59.9° |
| N34 | C32 | H32 | H33 | 120.0° | 120.0° |
| N34 | C32 | C33 | H34 | 61.8° | 60.0° |
| N34 | C32 | C33 | H35 | 57.3° | 60.0° |
| C32 | N34 | C35 | C1 | 17.5° | 180.0° |
| C02 | C04 | C05 | C03 | 118.4° | 120.0° |
| C02 | C04 | C05 | H22 | 119.1° | 120.0° |
| C02 | C04 | C03 | H22 | 119.2° | 119.9° |
| C02 | C04 | C05 | C16 | 178.0° | 177.4° |
| C02 | C04 | C03 | H19 | 180.0° | 180.0° |
| C02 | C04 | C03 | H20 | 60.0° | 60.0° |
| C02 | C04 | C03 | H21 | 60.0° | 60.1° |
| C02 | C04 | C05 | H23 | 52.7° | 60.6° |
| C05 | C04 | C03 | H22 | 122.5° | 120.1° |
| C05 | C04 | C02 | O06 | 67.1° | 0.0° |
| C04 | C05 | C16 | C17 | 160.7° | 148.1° |
| C04 | C05 | C16 | H23 | 125.2° | 122.1° |
| C04 | C05 | C16 | C15 | 85.0° | 94.6° |
| C04 | C05 | C19 | H2 | 18.7° | 3.2° |
| C04 | C05 | C19 | H3 | 102.3° | 118.4° |
| C05 | C04 | C03 | H19 | 61.7° | 60.0° |
| C05 | C04 | C03 | H20 | 178.3° | 180.0° |
| C05 | C04 | C03 | H21 | 58.3° | 59.9° |
| C03 | C04 | C02 | O06 | 54.6° | 120.0° |
| C03 | C04 | C05 | C16 | 59.6° | 62.6° |
| C04 | C03 | H19 | H20 | 120.0° | 120.0° |
| C04 | C03 | H19 | H21 | 120.0° | 119.9° |
| C04 | C03 | H20 | H21 | 120.0° | 120.0° |
| C03 | C04 | C05 | H23 | 65.7° | 59.4° |
| O06 | C02 | C04 | H22 | 173.9° | 120.1° |
| C25 | C24 | C17 | C23 | 116.1° | 119.5° |
| C25 | C24 | C17 | H29 | 123.1° | 120.7° |
| C25 | C24 | C23 | H29 | 121.4° | 121.0° |
| C24 | C25 | C12 | H30 | 120.2° | 120.1° |
| C24 | C25 | C12 | H31 | 120.2° | 120.2° |
| C25 | C24 | C17 | C16 | 179.4° | 176.1° |
| C24 | C25 | C12 | C11 | 52.3° | 55.3° |
| C25 | C24 | C23 | C14 | 179.4° | 176.9° |
| C25 | C24 | C23 | C13 | 56.9° | 62.3° |
| C24 | C25 | C12 | H4 | 172.8° | 64.2° |
| C24 | C25 | C12 | H5 | 68.2° | 174.9° |
| C25 | C24 | C17 | H8 | 57.8° | 62.8° |
| C25 | C24 | C23 | H28 | 62.6° | 56.4° |
| C24 | C25 | H30 | H31 | 119.4° | 119.7° |
| C17 | C24 | C23 | H29 | 120.8° | 119.4° |
| C17 | C24 | C25 | C12 | 172.9° | 178.8° |
| C24 | C17 | C16 | H8 | 121.6° | 120.6° |
| C24 | C17 | C16 | C05 | 179.2° | 166.3° |
| C24 | C17 | C16 | C15 | 61.4° | 70.0° |
| C17 | C24 | C23 | C14 | 61.6° | 57.2° |
| C17 | C24 | C23 | C13 | 174.7° | 178.1° |
| C24 | C17 | C18 | H6 | 73.8° | 84.4° |
| C24 | C17 | C18 | H7 | 49.2° | 38.9° |
| C17 | C24 | C23 | H28 | 55.3° | 63.2° |
| C17 | C24 | C25 | H30 | 52.7° | 58.7° |
| C17 | C24 | C25 | H31 | 66.9° | 61.0° |
| C23 | C24 | C25 | C12 | 57.3° | 63.2° |
| C23 | C24 | C17 | C16 | 63.3° | 64.4° |
| C24 | C23 | C13 | C21 | 70.4° | 59.3° |
| C24 | C23 | C13 | C11 | 48.6° | 55.4° |
| C24 | C23 | C14 | C13 | 125.4° | 120.3° |
| C24 | C23 | C14 | H28 | 117.0° | 120.0° |
| C24 | C23 | C14 | C15 | 61.2° | 54.3° |
| C24 | C23 | C13 | H28 | 119.6° | 118.3° |
| C24 | C23 | C13 | C07 | 172.0° | 175.4° |
| C23 | C24 | C17 | H8 | 58.4° | 56.7° |
| C24 | C23 | C14 | H17 | 178.8° | 66.2° |
| C24 | C23 | C14 | H18 | 58.8° | 174.9° |
| C23 | C24 | C25 | H30 | 62.9° | 176.6° |
| C23 | C24 | C25 | H31 | 177.5° | 57.0° |
| C25 | C12 | C11 | H4 | 120.5° | 119.5° |
| C25 | C12 | C11 | H5 | 120.5° | 119.7° |
| C25 | C12 | C11 | C13 | 46.2° | 53.0° |
| C25 | C12 | C11 | C10 | 127.0° | 125.2° |
| C25 | C12 | H4 | H5 | 118.4° | 121.0° |
| C12 | C25 | C24 | H29 | 64.0° | 58.1° |
| C12 | C25 | H30 | H31 | 119.4° | 119.8° |
| C17 | C16 | C05 | C15 | 114.3° | 117.3° |
| C17 | C16 | C15 | C14 | 57.9° | 64.5° |
| C16 | C17 | C18 | H6 | 165.2° | 159.9° |
| C16 | C17 | C18 | H7 | 71.8° | 76.8° |
| C17 | C16 | C20 | H9 | 180.0° | 60.0° |
| C17 | C16 | C20 | H10 | 60.0° | 180.0° |
| C17 | C16 | C20 | H11 | 60.0° | 60.1° |
| C17 | C16 | C15 | H15 | 178.0° | 175.9° |
| C17 | C16 | C15 | H16 | 62.2° | 54.9° |
| C17 | C16 | C05 | H23 | 74.1° | 89.8° |
| C16 | C17 | C24 | H29 | 57.5° | 55.4° |
| C05 | C16 | C15 | C14 | 166.7° | 179.6° |
| C16 | C05 | C19 | H2 | 105.7° | 115.8° |
| C16 | C05 | C19 | H3 | 133.3° | 122.7° |
| C05 | C16 | C17 | H8 | 59.2° | 73.2° |
| C05 | C16 | C20 | H9 | 70.2° | 52.9° |
| C05 | C16 | C20 | H10 | 169.8° | 67.1° |
| C05 | C16 | C20 | H11 | 49.8° | 173.0° |
| C05 | C16 | C15 | H15 | 73.2° | 60.9° |
| C05 | C16 | C15 | H16 | 46.6° | 60.2° |
| C16 | C05 | C04 | H22 | 62.9° | 57.4° |
| C16 | C15 | C14 | C23 | 59.1° | 57.4° |
| C16 | C15 | C14 | H15 | 120.1° | 119.5° |
| C16 | C15 | C14 | H16 | 120.1° | 119.5° |
| C15 | C16 | C17 | H8 | 60.2° | 50.5° |
| C15 | C16 | C20 | H9 | 59.8° | 177.6° |
| C15 | C16 | C20 | H10 | 60.2° | 62.4° |
| C15 | C16 | C20 | H11 | 179.8° | 57.5° |
| C16 | C15 | H15 | H16 | 119.8° | 121.1° |
| C16 | C15 | C14 | H17 | 179.1° | 63.2° |
| C16 | C15 | C14 | H18 | 60.9° | 178.0° |
| C15 | C16 | C05 | H23 | 40.2° | 27.5° |
| C12 | C11 | C13 | C21 | 77.1° | 60.5° |
| C12 | C11 | C13 | C10 | 172.8° | 178.1° |
| C12 | C11 | C13 | C23 | 43.5° | 53.8° |
| C12 | C11 | C13 | C07 | 161.6° | 179.0° |
| C12 | C11 | C10 | C09 | 177.0° | 176.2° |
| C12 | C11 | C10 | H1 | 3.1° | 3.5° |
| C11 | C12 | H4 | H5 | 118.4° | 120.8° |
| C11 | C12 | C25 | H30 | 67.9° | 175.5° |
| C11 | C12 | C25 | H31 | 172.5° | 64.8° |
| C21 | C13 | C11 | C23 | 120.5° | 114.3° |
| C21 | C13 | C11 | C07 | 121.3° | 118.5° |
| C21 | C13 | C11 | C10 | 110.1° | 121.3° |
| C21 | C13 | C23 | C14 | 52.4° | 62.7° |
| C21 | C13 | C23 | C07 | 117.5° | 116.1° |
| C21 | C13 | C07 | C08 | 81.0° | 151.2° |
| C13 | C21 | H12 | H13 | 120.0° | 120.0° |
| C13 | C21 | H12 | H14 | 120.0° | 120.1° |
| C13 | C21 | H13 | H14 | 120.0° | 120.1° |
| C21 | C13 | C07 | H24 | 39.2° | 30.4° |
| C21 | C13 | C07 | H25 | 158.7° | 88.2° |
| C21 | C13 | C23 | H28 | 170.0° | 177.6° |
| C11 | C13 | C23 | C14 | 171.4° | 177.5° |
| C11 | C13 | C23 | C07 | 123.4° | 129.2° |
| C13 | C11 | C10 | C09 | 10.0° | 1.8° |
| C11 | C13 | C07 | C08 | 39.4° | 32.7° |
| C13 | C11 | C10 | H1 | 170.0° | 178.4° |
| C13 | C11 | C12 | H4 | 166.7° | 66.5° |
| C13 | C11 | C12 | H5 | 74.3° | 172.7° |
| C11 | C13 | C21 | H12 | 180.0° | 55.5° |
| C11 | C13 | C21 | H13 | 60.0° | 175.5° |
| C11 | C13 | C21 | H14 | 60.0° | 64.5° |
| C11 | C13 | C07 | H24 | 159.7° | 88.0° |
| C11 | C13 | C07 | H25 | 80.9° | 153.4° |
| C11 | C13 | C23 | H28 | 71.0° | 62.9° |
| C10 | C11 | C13 | C23 | 129.3° | 124.3° |
| C10 | C11 | C13 | C07 | 11.2° | 2.9° |
| C11 | C10 | C09 | H1 | 180.0° | 179.8° |
| C11 | C10 | C09 | C08 | 0.3° | 24.4° |
| C11 | C10 | C09 | O22 | 179.3° | 155.9° |
| C10 | C11 | C12 | H4 | 6.4° | 115.3° |
| C10 | C11 | C12 | H5 | 112.5° | 5.5° |
| C23 | C14 | C15 | H17 | 120.0° | 120.6° |
| C23 | C14 | C15 | H18 | 120.0° | 120.6° |
| C14 | C23 | C13 | H28 | 117.6° | 119.6° |
| C14 | C23 | C13 | C07 | 65.1° | 53.3° |
| C23 | C14 | C15 | H15 | 179.2° | 176.9° |
| C23 | C14 | C15 | H16 | 61.0° | 62.1° |
| C23 | C14 | H17 | H18 | 120.1° | 119.0° |
| C14 | C23 | C24 | H29 | 59.2° | 62.1° |
| C15 | C14 | C23 | C13 | 173.4° | 174.6° |
| C14 | C15 | H15 | H16 | 119.7° | 120.9° |
| C15 | C14 | H17 | H18 | 120.1° | 118.9° |
| C15 | C14 | C23 | H28 | 55.8° | 65.8° |
| C23 | C13 | C07 | C08 | 160.8° | 93.2° |
| C23 | C13 | C21 | H12 | 59.1° | 61.0° |
| C23 | C13 | C21 | H13 | 179.1° | 58.9° |
| C23 | C13 | C21 | H14 | 60.9° | 179.0° |
| C13 | C23 | C14 | H17 | 53.4° | 54.1° |
| C13 | C23 | C14 | H18 | 66.6° | 64.8° |
| C23 | C13 | C07 | H24 | 78.9° | 146.0° |
| C23 | C13 | C07 | H25 | 40.5° | 27.5° |
| C13 | C23 | C24 | H29 | 64.5° | 58.7° |
| C13 | C07 | C08 | H24 | 120.3° | 120.7° |
| C13 | C07 | C08 | H25 | 120.3° | 120.7° |
| C13 | C07 | C08 | C09 | 48.5° | 55.3° |
| C07 | C13 | C21 | H12 | 55.8° | 179.5° |
| C07 | C13 | C21 | H13 | 64.2° | 60.5° |
| C07 | C13 | C21 | H14 | 175.8° | 59.5° |
| C13 | C07 | H24 | H25 | 119.2° | 118.6° |
| C13 | C07 | C08 | H26 | 71.9° | 174.8° |
| C13 | C07 | C08 | H27 | 168.9° | 64.3° |
| C07 | C13 | C23 | H28 | 52.5° | 66.3° |
| C10 | C09 | C08 | C07 | 30.1° | 52.2° |
| C10 | C09 | C08 | O22 | 179.7° | 179.7° |
| C10 | C09 | C08 | H26 | 90.3° | 171.7° |
| C10 | C09 | C08 | H27 | 150.5° | 67.4° |
| C07 | C08 | C09 | H26 | 120.4° | 119.5° |
| C07 | C08 | C09 | H27 | 120.4° | 119.5° |
| C07 | C08 | C09 | O22 | 149.6° | 128.1° |
| C08 | C07 | H24 | H25 | 119.2° | 118.7° |
| C07 | C08 | H26 | H27 | 118.7° | 120.9° |
| C08 | C09 | C10 | H1 | 179.7° | 155.3° |
| C09 | C08 | C07 | H24 | 168.8° | 65.4° |
| C09 | C08 | C07 | H25 | 71.7° | 176.0° |
| C09 | C08 | H26 | H27 | 118.7° | 121.0° |
| O22 | C09 | C10 | H1 | 0.6° | 24.4° |
| O22 | C09 | C08 | H26 | 90.0° | 8.6° |
| O22 | C09 | C08 | H27 | 29.2° | 112.4° |
| H2 | C19 | C18 | H6 | 102.3° | 98.4° |
| H2 | C19 | C18 | H7 | 20.7° | 24.8° |
| H2 | C19 | C05 | H23 | 138.0° | 125.2° |
| H3 | C19 | C18 | H6 | 18.7° | 23.0° |
| H3 | C19 | C18 | H7 | 141.7° | 146.3° |
| H3 | C19 | C05 | H23 | 16.9° | 3.7° |
| H4 | C12 | C25 | H30 | 52.6° | 55.9° |
| H4 | C12 | C25 | H31 | 67.0° | 175.7° |
| H5 | C12 | C25 | H30 | 171.5° | 65.0° |
| H5 | C12 | C25 | H31 | 52.0° | 54.8° |
| H6 | C18 | C17 | H8 | 49.9° | 41.9° |
| H7 | C18 | C17 | H8 | 172.9° | 165.2° |
| H8 | C17 | C24 | H29 | 179.1° | 176.5° |
| H9 | C20 | H10 | H11 | 120.0° | 120.0° |
| H12 | C21 | H13 | H14 | 120.0° | 119.9° |
| H15 | C15 | C14 | H17 | 60.8° | 56.4° |
| H15 | C15 | C14 | H18 | 59.2° | 62.5° |
| H16 | C15 | C14 | H17 | 59.0° | 177.3° |
| H16 | C15 | C14 | H18 | 179.0° | 58.5° |
| H17 | C14 | C23 | H28 | 64.2° | 173.7° |
| H18 | C14 | C23 | H28 | 175.8° | 54.9° |
| H19 | C03 | H20 | H21 | 120.0° | 120.0° |
| H19 | C03 | C04 | H22 | 60.8° | 60.1° |
| H20 | C03 | C04 | H22 | 59.2° | 59.9° |
| H21 | C03 | C04 | H22 | 179.2° | 180.0° |
| H22 | C04 | C05 | H23 | 171.8° | 179.4° |
| H24 | C07 | C08 | H26 | 48.4° | 54.1° |
| H24 | C07 | C08 | H27 | 70.8° | 175.0° |
| H25 | C07 | C08 | H26 | 167.8° | 64.6° |
| H25 | C07 | C08 | H27 | 48.7° | 56.4° |
| H28 | C23 | C24 | H29 | 176.1° | 177.4° |
| H29 | C24 | C25 | H30 | 175.8° | 62.0° |
| H29 | C24 | C25 | H31 | 56.2° | 178.3° |
| H32 | C32 | C33 | H34 | 178.2° | 179.9° |
| H32 | C32 | C33 | H35 | 62.7° | 60.0° |
| H32 | C32 | N34 | H36 | 152.6° | 119.9° |
| H33 | C32 | C33 | H34 | 58.2° | 60.0° |
| H33 | C32 | C33 | H35 | 177.3° | 180.0° |
| H33 | C32 | N34 | H36 | 32.6° | 120.0° |
| H36 | N34 | C35 | C1 | 162.5° | 0.0° |
| C35 | C1 | C2 | H37 | 90.0° | 119.9° |
| C35 | C1 | C2 | H38 | 90.0° | 120.1° |
| C35 | C1 | C2 | N1 | 90.0° | 180.0° |
| C35 | C1 | H37 | H38 | 90.0° | 119.9° |
| C35 | C1 | C2 | H39 | 90.0° | 60.0° |
| C35 | C1 | C2 | H40 | 90.0° | 59.9° |
| C1 | C2 | N1 | H39 | 90.0° | 120.0° |
| C1 | C2 | N1 | H40 | 90.0° | 120.1° |
| C1 | C2 | N1 | C3 | 90.0° | 180.0° |
| C2 | C1 | H37 | H38 | 90.0° | 120.1° |
| C1 | C2 | H39 | H40 | 90.0° | 120.1° |
| C1 | C2 | N1 | H41 | 90.0° | 0.1° |
| C2 | N1 | C3 | H41 | 90.0° | 179.9° |
| C2 | N1 | C3 | O1 | 90.0° | 4.7° |
| C2 | N1 | C3 | C5 | 90.0° | 175.2° |
| N1 | C2 | C1 | H37 | 90.0° | 60.1° |
| N1 | C2 | C1 | H38 | 90.0° | 59.9° |
| N1 | C2 | H39 | H40 | 90.0° | 119.9° |
| N1 | C3 | O1 | C5 | 90.0° | 180.0° |
| N1 | C3 | C5 | C4 | 90.0° | 112.5° |
| N1 | C3 | C5 | O2 | 90.0° | 7.6° |
| C3 | N1 | C2 | H39 | 90.0° | 60.0° |
| C3 | N1 | C2 | H40 | 90.0° | 59.9° |
| N1 | C3 | C5 | H42 | 90.0° | 127.6° |
| O1 | C3 | C5 | C4 | 90.0° | 67.5° |
| O1 | C3 | C5 | O2 | 90.0° | 172.4° |
| O1 | C3 | N1 | H41 | 90.0° | 175.2° |
| O1 | C3 | C5 | H42 | 90.0° | 52.4° |
| C3 | C5 | C4 | O2 | 90.0° | 120.1° |
| C3 | C5 | C4 | H42 | 90.0° | 119.9° |
| C3 | C5 | C4 | C6 | 90.0° | 65.7° |
| C3 | C5 | C4 | C7 | 90.0° | 54.3° |
| C3 | C5 | C4 | C8 | 90.0° | 174.2° |
| C3 | C5 | O2 | H42 | 90.0° | 120.0° |
| C5 | C3 | N1 | H41 | 90.0° | 4.8° |
| C3 | C5 | O2 | H51 | 90.0° | 60.0° |
| C5 | C4 | C6 | C7 | 90.0° | 120.0° |
| C5 | C4 | C6 | C8 | 90.0° | 120.0° |
| C5 | C4 | C7 | C8 | 90.0° | 120.0° |
| C4 | C5 | O2 | H42 | 90.0° | 120.0° |
| C5 | C4 | C8 | O3 | 90.0° | 180.0° |
| C5 | C4 | C6 | H43 | 90.0° | 65.9° |
| C5 | C4 | C6 | H44 | 90.0° | 174.0° |
| C5 | C4 | C6 | H45 | 90.0° | 54.0° |
| C5 | C4 | C7 | H46 | 90.0° | 59.9° |
| C5 | C4 | C7 | H47 | 90.0° | 180.0° |
| C5 | C4 | C7 | H48 | 90.0° | 60.1° |
| C5 | C4 | C8 | H49 | 90.0° | 59.9° |
| C5 | C4 | C8 | H50 | 90.0° | 60.0° |
| C4 | C5 | O2 | H51 | 90.0° | 60.0° |
| C6 | C4 | C7 | C8 | 90.0° | 120.0° |
| C6 | C4 | C5 | O2 | 90.0° | 174.2° |
| C6 | C4 | C8 | O3 | 90.0° | 60.0° |
| C6 | C4 | C5 | H42 | 90.0° | 54.2° |
| C4 | C6 | H43 | H44 | 90.0° | 120.0° |
| C4 | C6 | H43 | H45 | 90.0° | 119.9° |
| C4 | C6 | H44 | H45 | 90.0° | 120.0° |
| C6 | C4 | C7 | H46 | 90.0° | 180.0° |
| C6 | C4 | C7 | H47 | 90.0° | 59.9° |
| C6 | C4 | C7 | H48 | 90.0° | 60.0° |
| C6 | C4 | C8 | H49 | 90.0° | 180.0° |
| C6 | C4 | C8 | H50 | 90.0° | 60.0° |
| C7 | C4 | C5 | O2 | 90.0° | 65.8° |
| C7 | C4 | C8 | O3 | 90.0° | 60.0° |
| C7 | C4 | C5 | H42 | 90.0° | 174.2° |
| C7 | C4 | C6 | H43 | 90.0° | 54.1° |
| C7 | C4 | C6 | H44 | 90.0° | 66.0° |
| C7 | C4 | C6 | H45 | 90.0° | 174.0° |
| C4 | C7 | H46 | H47 | 90.0° | 120.1° |
| C4 | C7 | H46 | H48 | 90.0° | 120.0° |
| C4 | C7 | H47 | H48 | 90.0° | 119.9° |
| C7 | C4 | C8 | H49 | 90.0° | 60.0° |
| C7 | C4 | C8 | H50 | 90.0° | 180.0° |
| C8 | C4 | C5 | O2 | 90.0° | 54.2° |
| C4 | C8 | O3 | H49 | 90.0° | 120.1° |
| C4 | C8 | O3 | H50 | 90.0° | 119.9° |
| C4 | C8 | O3 | P1 | 90.0° | 180.0° |
| C8 | C4 | C5 | H42 | 90.0° | 65.9° |
| C8 | C4 | C6 | H43 | 90.0° | 174.0° |
| C8 | C4 | C6 | H44 | 90.0° | 54.0° |
| C8 | C4 | C6 | H45 | 90.0° | 66.0° |
| C8 | C4 | C7 | H46 | 90.0° | 60.0° |
| C8 | C4 | C7 | H47 | 90.0° | 60.1° |
| C8 | C4 | C7 | H48 | 90.0° | 180.0° |
| C4 | C8 | H49 | H50 | 90.0° | 120.0° |
| C8 | O3 | P1 | O6 | 90.0° | 65.0° |
| C8 | O3 | P1 | O4 | 90.0° | 55.1° |
| C8 | O3 | P1 | O5 | 90.0° | 175.0° |
| O3 | C8 | H49 | H50 | 90.0° | 120.0° |
| O3 | P1 | O6 | O4 | 90.0° | 120.0° |
| O3 | P1 | O6 | O5 | 90.0° | 120.0° |
| O3 | P1 | O4 | O5 | 90.0° | 120.0° |
| O3 | P1 | O5 | P2 | 90.0° | 160.0° |
| P1 | O3 | C8 | H49 | 90.0° | 60.0° |
| P1 | O3 | C8 | H50 | 90.0° | 60.0° |
| O3 | P1 | O6 | H52 | 90.0° | 59.9° |
| O6 | P1 | O4 | O5 | 90.0° | 120.0° |
| O6 | P1 | O5 | P2 | 90.0° | 80.0° |
| O4 | P1 | O5 | P2 | 90.0° | 40.0° |
| O4 | P1 | O6 | H52 | 90.0° | 180.0° |
| P1 | O5 | P2 | O7 | 90.0° | 40.0° |
| P1 | O5 | P2 | O9 | 90.0° | 80.0° |
| P1 | O5 | P2 | O8 | 90.0° | 160.0° |
| O5 | P1 | O6 | H52 | 90.0° | 60.1° |
| O5 | P2 | O7 | O9 | 90.0° | 120.0° |
| O5 | P2 | O7 | O8 | 90.0° | 120.0° |
| O5 | P2 | O9 | O8 | 90.0° | 120.0° |
| O5 | P2 | O8 | C9 | 90.0° | 175.0° |
| O5 | P2 | O9 | H53 | 90.0° | 60.0° |
| O7 | P2 | O9 | O8 | 90.0° | 120.0° |
| O7 | P2 | O8 | C9 | 90.0° | 55.0° |
| O7 | P2 | O9 | H53 | 90.0° | 180.0° |
| O9 | P2 | O8 | C9 | 90.0° | 65.0° |
| P2 | O8 | C9 | C22 | 90.0° | 180.0° |
| O8 | P2 | O9 | H53 | 90.0° | 60.0° |
| P2 | O8 | C9 | H54 | 90.0° | 60.1° |
| P2 | O8 | C9 | H55 | 90.0° | 60.0° |
| O8 | C9 | C22 | H54 | 90.0° | 120.0° |
| O8 | C9 | C22 | H55 | 90.0° | 120.0° |
| O8 | C9 | C22 | C26 | 90.0° | 175.0° |
| O8 | C9 | C22 | O10 | 90.0° | 67.2° |
| O8 | C9 | H54 | H55 | 90.0° | 120.0° |
| O8 | C9 | C22 | H56 | 90.0° | 54.0° |
| C9 | C22 | C26 | O10 | 90.0° | 119.4° |
| C9 | C22 | C26 | H56 | 90.0° | 121.0° |
| C9 | C22 | C26 | C27 | 90.0° | 121.5° |
| C9 | C22 | O10 | C28 | 90.0° | 146.0° |
| C9 | C22 | O10 | H56 | 90.0° | 121.0° |
| C9 | C22 | C26 | O11 | 90.0° | 119.9° |
| C22 | C9 | H54 | H55 | 90.0° | 120.0° |
| C9 | C22 | C26 | H57 | 90.0° | 2.8° |
| C22 | C26 | C27 | O11 | 90.0° | 118.7° |
| C22 | C26 | C27 | H57 | 90.0° | 118.6° |
| C22 | C26 | C27 | C28 | 90.0° | 20.9° |
| C26 | C22 | O10 | C28 | 90.0° | 26.5° |
| C26 | C22 | O10 | H56 | 90.0° | 119.5° |
| C22 | C26 | O11 | H57 | 90.0° | 122.6° |
| C22 | C26 | O11 | P3 | 90.0° | 120.0° |
| C22 | C26 | C27 | O15 | 90.0° | 139.1° |
| C26 | C22 | C9 | H54 | 90.0° | 55.0° |
| C26 | C22 | C9 | H55 | 90.0° | 65.0° |
| C22 | C26 | C27 | H58 | 90.0° | 97.3° |
| C26 | C27 | C28 | O15 | 90.0° | 118.2° |
| C26 | C27 | C28 | H58 | 90.0° | 118.2° |
| C26 | C27 | C28 | O10 | 90.0° | 37.0° |
| C27 | C26 | C22 | O10 | 90.0° | 2.0° |
| C27 | C26 | O11 | H57 | 90.0° | 122.7° |
| C27 | C26 | O11 | P3 | 90.0° | 125.2° |
| C26 | C27 | O15 | H58 | 90.0° | 123.6° |
| C26 | C27 | C28 | N2 | 90.0° | 81.5° |
| C27 | C26 | C22 | H56 | 90.0° | 117.6° |
| C26 | C27 | C28 | H59 | 90.0° | 155.5° |
| C26 | C27 | O15 | H62 | 90.0° | 180.0° |
| C27 | C28 | O10 | N2 | 90.0° | 118.5° |
| C27 | C28 | O10 | H59 | 90.0° | 118.5° |
| C27 | C28 | O10 | C22 | 90.0° | 40.1° |
| C28 | C27 | C26 | O11 | 90.0° | 97.8° |
| C28 | C27 | O15 | H58 | 90.0° | 123.6° |
| C27 | C28 | N2 | H59 | 90.0° | 123.0° |
| C27 | C28 | N2 | C30 | 90.0° | 98.0° |
| C27 | C28 | N2 | C36 | 90.0° | 81.6° |
| C28 | C27 | C26 | H57 | 90.0° | 139.5° |
| C28 | C27 | O15 | H62 | 90.0° | 67.3° |
| O10 | C28 | C27 | O15 | 90.0° | 155.3° |
| O10 | C28 | N2 | H59 | 90.0° | 122.9° |
| O10 | C28 | N2 | C30 | 90.0° | 16.1° |
| O10 | C28 | N2 | C36 | 90.0° | 164.3° |
| C28 | O10 | C22 | H56 | 90.0° | 93.0° |
| O10 | C28 | C27 | H58 | 90.0° | 81.1° |
| O10 | C22 | C26 | O11 | 90.0° | 120.7° |
| C22 | O10 | C28 | N2 | 90.0° | 78.5° |
| O10 | C22 | C9 | H54 | 90.0° | 172.8° |
| O10 | C22 | C9 | H55 | 90.0° | 52.8° |
| O10 | C22 | C26 | H57 | 90.0° | 116.6° |
| C22 | O10 | C28 | H59 | 90.0° | 158.6° |
| C26 | O11 | P3 | O12 | 90.0° | 55.0° |
| C26 | O11 | P3 | O13 | 90.0° | 65.0° |
| C26 | O11 | P3 | O14 | 90.0° | 175.1° |
| O11 | C26 | C27 | O15 | 90.0° | 20.4° |
| O11 | C26 | C22 | H56 | 90.0° | 1.1° |
| O11 | C26 | C27 | H58 | 90.0° | 144.0° |
| O11 | P3 | O12 | O13 | 90.0° | 120.1° |
| O11 | P3 | O12 | O14 | 90.0° | 120.0° |
| O11 | P3 | O13 | O14 | 90.0° | 120.0° |
| P3 | O11 | C26 | H57 | 90.0° | 2.5° |
| O11 | P3 | O13 | H60 | 90.0° | 60.0° |
| O11 | P3 | O14 | H61 | 90.0° | 179.9° |
| O12 | P3 | O13 | O14 | 90.0° | 120.0° |
| O12 | P3 | O13 | H60 | 90.0° | 180.0° |
| O12 | P3 | O14 | H61 | 90.0° | 59.9° |
| O13 | P3 | O14 | H61 | 90.0° | 60.1° |
| O14 | P3 | O13 | H60 | 90.0° | 60.0° |
| O15 | C27 | C28 | N2 | 90.0° | 36.7° |
| O15 | C27 | C26 | H57 | 90.0° | 102.3° |
| O15 | C27 | C28 | H59 | 90.0° | 86.2° |
| C28 | N2 | C30 | C36 | 90.0° | 179.7° |
| C28 | N2 | C30 | N3 | 90.0° | 179.9° |
| C28 | N2 | C36 | C34 | 90.0° | 179.9° |
| C28 | N2 | C36 | N6 | 90.0° | 0.5° |
| N2 | C28 | C27 | H58 | 90.0° | 160.3° |
| C28 | N2 | C30 | H63 | 90.0° | 0.0° |
| N2 | C30 | N3 | H63 | 90.0° | 180.0° |
| N2 | C30 | N3 | C34 | 90.0° | 0.0° |
| C30 | N2 | C36 | C34 | 90.0° | 0.4° |
| C30 | N2 | C36 | N6 | 90.0° | 179.9° |
| C30 | N2 | C28 | H59 | 90.0° | 139.1° |
| C30 | N3 | C34 | C36 | 90.0° | 0.3° |
| N3 | C30 | N2 | C36 | 90.0° | 0.3° |
| C30 | N3 | C34 | C29 | 90.0° | 180.0° |
| N3 | C34 | C36 | C29 | 90.0° | 179.8° |
| N3 | C34 | C36 | N2 | 90.0° | 0.4° |
| N3 | C34 | C29 | N5 | 90.0° | 180.0° |
| N3 | C34 | C36 | N6 | 90.0° | 180.0° |
| N3 | C34 | C29 | N4 | 90.0° | 0.0° |
| C34 | N3 | C30 | H63 | 90.0° | 180.0° |
| C34 | C36 | N2 | N6 | 90.0° | 179.4° |
| C36 | C34 | C29 | N5 | 90.0° | 0.3° |
| C34 | C36 | N6 | C37 | 90.0° | 0.2° |
| C36 | C34 | C29 | N4 | 90.0° | 179.8° |
| N2 | C36 | C34 | C29 | 90.0° | 179.8° |
| N2 | C36 | N6 | C37 | 90.0° | 179.2° |
| C36 | N2 | C28 | H59 | 90.0° | 41.3° |
| C36 | N2 | C30 | H63 | 90.0° | 179.7° |
| C34 | C29 | N5 | N4 | 90.0° | 179.9° |
| C34 | C29 | N5 | C37 | 90.0° | 0.0° |
| C29 | C34 | C36 | N6 | 90.0° | 0.2° |
| C34 | C29 | N4 | H65 | 90.0° | 0.0° |
| C34 | C29 | N4 | H66 | 90.0° | 180.0° |
| C29 | N5 | C37 | N6 | 90.0° | 0.4° |
| C29 | N5 | C37 | H64 | 90.0° | 179.9° |
| N5 | C29 | N4 | H65 | 90.0° | 179.9° |
| N5 | C29 | N4 | H66 | 90.0° | 0.1° |
| N5 | C37 | N6 | H64 | 90.0° | 179.5° |
| N5 | C37 | N6 | C36 | 90.0° | 0.5° |
| C37 | N5 | C29 | N4 | 90.0° | 179.9° |
| C36 | N6 | C37 | H64 | 90.0° | 180.0° |
| C29 | N4 | H65 | H66 | 90.0° | 180.0° |
| H37 | C1 | C2 | H39 | 90.0° | 180.0° |
| H37 | C1 | C2 | H40 | 90.0° | 60.0° |
| H38 | C1 | C2 | H39 | 90.0° | 60.0° |
| H38 | C1 | C2 | H40 | 90.0° | 180.0° |
| H39 | C2 | N1 | H41 | 90.0° | 120.1° |
| H40 | C2 | N1 | H41 | 90.0° | 120.0° |
| H42 | C5 | O2 | H51 | 90.0° | 180.0° |
| H43 | C6 | H44 | H45 | 90.0° | 120.1° |
| H46 | C7 | H47 | H48 | 90.0° | 120.0° |
| H54 | C9 | C22 | H56 | 90.0° | 66.0° |
| H55 | C9 | C22 | H56 | 90.0° | 174.0° |
| H56 | C22 | C26 | H57 | 90.0° | 123.8° |
| H57 | C26 | C27 | H58 | 90.0° | 21.3° |
| H58 | C27 | C28 | H59 | 90.0° | 37.4° |
| H58 | C27 | O15 | H62 | 90.0° | 56.4° |
