5X3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C38 | C37 | sing | 1.51Å | 1.51Å | |
| O01 | C02 | doub | 1.22Å | 1.26Å | |
| C37 | C36 | doub | 1.38Å | 1.40Å | Aromatic |
| C37 | C39 | sing | 1.38Å | 1.40Å | Aromatic |
| C36 | C32 | sing | 1.39Å | 1.40Å | Aromatic |
| C02 | O44 | sing | 1.35Å | 1.24Å | |
| C02 | C03 | sing | 1.46Å | 1.48Å | |
| C04 | C03 | doub | 1.37Å | 1.39Å | Aromatic |
| C04 | C05 | sing | 1.40Å | 1.43Å | Aromatic |
| C39 | CL | sing | 1.74Å | 1.72Å | |
| C39 | C34 | doub | 1.38Å | 1.39Å | Aromatic |
| C32 | O31 | sing | 1.36Å | 1.43Å | |
| C32 | C33 | doub | 1.39Å | 1.40Å | Aromatic |
| O31 | C30 | sing | 1.43Å | 1.45Å | |
| C03 | O43 | sing | 1.35Å | 1.32Å | Aromatic |
| C28 | C29 | sing | 1.53Å | 1.51Å | |
| C28 | C27 | sing | 1.51Å | 1.55Å | |
| C05 | C06 | doub | 1.35Å | 1.41Å | Aromatic |
| C34 | C33 | sing | 1.38Å | 1.38Å | Aromatic |
| C34 | C35 | sing | 1.51Å | 1.55Å | |
| O43 | C06 | sing | 1.34Å | 1.30Å | Aromatic |
| C29 | C30 | sing | 1.53Å | 1.56Å | |
| C15 | C16 | doub | 1.36Å | 1.41Å | Aromatic |
| C15 | C14 | sing | 1.40Å | 1.40Å | Aromatic |
| C27 | C14 | sing | 1.42Å | 1.47Å | Aromatic |
| C27 | C11 | doub | 1.36Å | 1.38Å | Aromatic |
| C06 | S07 | sing | 1.76Å | 1.79Å | |
| C16 | C17 | sing | 1.39Å | 1.38Å | Aromatic |
| C14 | C13 | doub | 1.41Å | 1.38Å | Aromatic |
| O41 | C10 | doub | 1.22Å | 1.22Å | |
| C11 | C10 | sing | 1.47Å | 1.51Å | |
| C11 | N12 | sing | 1.38Å | 1.34Å | Aromatic |
| C10 | N09 | sing | 1.35Å | 1.40Å | |
| C22 | C21 | sing | 1.51Å | 1.54Å | |
| C17 | C19 | doub | 1.39Å | 1.38Å | Aromatic |
| C17 | CL2 | sing | 1.74Å | 1.76Å | |
| C13 | N12 | sing | 1.37Å | 1.35Å | Aromatic |
| C13 | C19 | sing | 1.40Å | 1.41Å | Aromatic |
| N09 | S07 | sing | 1.66Å | 1.64Å | |
| S07 | O42 | doub | 1.42Å | 1.40Å | |
| S07 | O08 | doub | 1.42Å | 1.42Å | |
| C19 | C20 | sing | 1.48Å | 1.51Å | |
| C21 | C20 | doub | 1.36Å | 1.43Å | Aromatic |
| C21 | N23 | sing | 1.35Å | 1.32Å | Aromatic |
| C20 | C25 | sing | 1.41Å | 1.42Å | Aromatic |
| N23 | N24 | sing | 1.40Å | 1.32Å | Aromatic |
| C25 | N24 | doub | 1.31Å | 1.33Å | Aromatic |
| C25 | C26 | sing | 1.51Å | 1.52Å | |
| N12 | H1 | sing | 0.97Å | 1.00Å | |
| C15 | H2 | sing | 1.08Å | 1.08Å | |
| C22 | H3 | sing | 1.09Å | 1.10Å | |
| C22 | H4 | sing | 1.09Å | 1.10Å | |
| C22 | H5 | sing | 1.09Å | 1.10Å | |
| C26 | H6 | sing | 1.09Å | 1.10Å | |
| C26 | H7 | sing | 1.09Å | 1.10Å | |
| C26 | H8 | sing | 1.09Å | 1.10Å | |
| C28 | H9 | sing | 1.09Å | 1.10Å | |
| C28 | H10 | sing | 1.09Å | 1.10Å | |
| C04 | H11 | sing | 1.08Å | 1.08Å | |
| C05 | H12 | sing | 1.08Å | 1.08Å | |
| N09 | H13 | sing | 0.97Å | 1.00Å | |
| C16 | H14 | sing | 1.08Å | 1.08Å | |
| N23 | H15 | sing | 0.97Å | 1.00Å | |
| C29 | H16 | sing | 1.09Å | 1.10Å | |
| C29 | H17 | sing | 1.09Å | 1.10Å | |
| C30 | H18 | sing | 1.09Å | 1.10Å | |
| C30 | H19 | sing | 1.09Å | 1.10Å | |
| C33 | H20 | sing | 1.08Å | 1.08Å | |
| C35 | H21 | sing | 1.09Å | 1.10Å | |
| C35 | H22 | sing | 1.09Å | 1.10Å | |
| C35 | H23 | sing | 1.09Å | 1.10Å | |
| C36 | H24 | sing | 1.08Å | 1.08Å | |
| C38 | H25 | sing | 1.09Å | 1.10Å | |
| C38 | H26 | sing | 1.09Å | 1.10Å | |
| C38 | H27 | sing | 1.09Å | 1.10Å | |
| O44 | H28 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C38 | C37 | C36 | 119.7° | 120.0° |
| C38 | C37 | C39 | 120.4° | 120.0° |
| C37 | C38 | H25 | 109.5° | 109.5° |
| C37 | C38 | H26 | 109.5° | 109.5° |
| C37 | C38 | H27 | 109.5° | 109.4° |
| O01 | C02 | O44 | 121.7° | 120.0° |
| O01 | C02 | C03 | 122.5° | 120.0° |
| C36 | C37 | C39 | 119.8° | 120.0° |
| C37 | C36 | C32 | 119.3° | 119.9° |
| C37 | C36 | H24 | 120.4° | 120.0° |
| C37 | C39 | CL | 122.4° | 120.0° |
| C37 | C39 | C34 | 120.8° | 120.1° |
| C36 | C32 | O31 | 120.4° | 120.0° |
| C36 | C32 | C33 | 120.1° | 119.9° |
| C32 | C36 | H24 | 120.3° | 120.0° |
| O44 | C02 | C03 | 115.8° | 120.0° |
| C02 | O44 | H28 | 109.5° | 117.0° |
| C02 | C03 | C04 | 127.5° | 126.0° |
| C02 | C03 | O43 | 121.8° | 126.0° |
| C03 | C04 | C05 | 103.9° | 106.7° |
| C04 | C03 | O43 | 110.8° | 108.0° |
| C03 | C04 | H11 | 128.0° | 126.6° |
| C04 | C05 | C06 | 106.1° | 107.1° |
| C05 | C04 | H11 | 128.1° | 126.6° |
| C04 | C05 | H12 | 127.0° | 126.5° |
| CL | C39 | C34 | 116.8° | 119.9° |
| C39 | C34 | C33 | 119.3° | 120.0° |
| C39 | C34 | C35 | 118.3° | 120.0° |
| O31 | C32 | C33 | 119.5° | 120.1° |
| C32 | O31 | C30 | 110.6° | 117.0° |
| C32 | C33 | C34 | 120.7° | 120.0° |
| C32 | C33 | H20 | 119.7° | 120.0° |
| O31 | C30 | C29 | 109.6° | 109.5° |
| O31 | C30 | H18 | 109.4° | 109.5° |
| O31 | C30 | H19 | 109.4° | 109.4° |
| C03 | O43 | C06 | 110.3° | 109.4° |
| C29 | C28 | C27 | 111.1° | 109.5° |
| C28 | C29 | C30 | 107.3° | 109.5° |
| C29 | C28 | H9 | 109.1° | 109.5° |
| C29 | C28 | H10 | 109.1° | 109.5° |
| C28 | C29 | H16 | 110.0° | 109.5° |
| C28 | C29 | H17 | 110.0° | 109.5° |
| C28 | C27 | C14 | 128.8° | 126.1° |
| C28 | C27 | C11 | 126.9° | 126.2° |
| C27 | C28 | H9 | 109.0° | 109.4° |
| C27 | C28 | H10 | 109.0° | 109.5° |
| C05 | C06 | O43 | 109.0° | 108.8° |
| C05 | C06 | S07 | 125.5° | 125.6° |
| C06 | C05 | H12 | 127.0° | 126.4° |
| C33 | C34 | C35 | 122.4° | 120.0° |
| C34 | C33 | H20 | 119.7° | 120.0° |
| C34 | C35 | H21 | 109.5° | 109.5° |
| C34 | C35 | H22 | 109.4° | 109.5° |
| C34 | C35 | H23 | 109.4° | 109.4° |
| O43 | C06 | S07 | 125.5° | 125.6° |
| C30 | C29 | H16 | 110.0° | 109.5° |
| C30 | C29 | H17 | 110.0° | 109.5° |
| C29 | C30 | H18 | 109.4° | 109.5° |
| C29 | C30 | H19 | 109.5° | 109.5° |
| C16 | C15 | C14 | 120.9° | 120.1° |
| C15 | C16 | C17 | 119.1° | 120.7° |
| C16 | C15 | H2 | 119.6° | 119.9° |
| C15 | C16 | H14 | 120.5° | 119.7° |
| C15 | C14 | C27 | 134.3° | 133.3° |
| C15 | C14 | C13 | 119.1° | 119.7° |
| C14 | C15 | H2 | 119.6° | 120.0° |
| C14 | C27 | C11 | 104.3° | 107.7° |
| C27 | C14 | C13 | 106.6° | 107.0° |
| C27 | C11 | C10 | 126.3° | 125.4° |
| C27 | C11 | N12 | 110.4° | 109.1° |
| C06 | S07 | N09 | 104.6° | 107.2° |
| C06 | S07 | O42 | 115.2° | 106.4° |
| C06 | S07 | O08 | 108.5° | 106.4° |
| C16 | C17 | C19 | 120.4° | 120.5° |
| C16 | C17 | CL2 | 120.3° | 119.8° |
| C17 | C16 | H14 | 120.5° | 119.6° |
| C14 | C13 | N12 | 108.7° | 107.5° |
| C14 | C13 | C19 | 120.1° | 119.4° |
| O41 | C10 | C11 | 123.4° | 120.0° |
| O41 | C10 | N09 | 126.7° | 120.0° |
| C10 | C11 | N12 | 123.1° | 125.5° |
| C11 | C10 | N09 | 109.9° | 120.0° |
| C11 | N12 | C13 | 110.0° | 108.8° |
| C11 | N12 | H1 | 125.0° | 125.6° |
| C10 | N09 | S07 | 129.7° | 120.0° |
| C10 | N09 | H13 | 115.1° | 120.0° |
| C22 | C21 | C20 | 126.2° | 126.2° |
| C22 | C21 | N23 | 127.2° | 126.2° |
| C21 | C22 | H3 | 109.5° | 109.5° |
| C21 | C22 | H4 | 109.4° | 109.5° |
| C21 | C22 | H5 | 109.5° | 109.5° |
| C19 | C17 | CL2 | 119.4° | 119.7° |
| C17 | C19 | C13 | 120.5° | 119.6° |
| C17 | C19 | C20 | 118.6° | 120.2° |
| N12 | C13 | C19 | 131.3° | 133.2° |
| C13 | N12 | H1 | 125.0° | 125.6° |
| C13 | C19 | C20 | 120.7° | 120.2° |
| N09 | S07 | O42 | 114.1° | 106.4° |
| N09 | S07 | O08 | 110.7° | 106.4° |
| S07 | N09 | H13 | 115.2° | 120.0° |
| O42 | S07 | O08 | 103.7° | 123.2° |
| C19 | C20 | C21 | 123.4° | 126.2° |
| C19 | C20 | C25 | 131.3° | 126.2° |
| C20 | C21 | N23 | 106.6° | 107.6° |
| C21 | C20 | C25 | 105.3° | 107.6° |
| C21 | N23 | N24 | 110.8° | 108.2° |
| C21 | N23 | H15 | 124.6° | 125.9° |
| C20 | C25 | N24 | 106.2° | 108.1° |
| C20 | C25 | C26 | 126.4° | 125.9° |
| N23 | N24 | C25 | 111.1° | 108.6° |
| N24 | N23 | H15 | 124.6° | 125.9° |
| N24 | C25 | C26 | 127.4° | 126.0° |
| C25 | C26 | H6 | 109.5° | 109.5° |
| C25 | C26 | H7 | 109.5° | 109.5° |
| C25 | C26 | H8 | 109.5° | 109.5° |
| H3 | C22 | H4 | 109.5° | 109.5° |
| H3 | C22 | H5 | 109.5° | 109.5° |
| H4 | C22 | H5 | 109.5° | 109.4° |
| H6 | C26 | H7 | 109.4° | 109.5° |
| H6 | C26 | H8 | 109.5° | 109.5° |
| H7 | C26 | H8 | 109.5° | 109.4° |
| H9 | C28 | H10 | 109.5° | 109.5° |
| H16 | C29 | H17 | 109.5° | 109.5° |
| H18 | C30 | H19 | 109.5° | 109.5° |
| H21 | C35 | H22 | 109.5° | 109.5° |
| H21 | C35 | H23 | 109.5° | 109.5° |
| H22 | C35 | H23 | 109.5° | 109.5° |
| H25 | C38 | H26 | 109.5° | 109.5° |
| H25 | C38 | H27 | 109.5° | 109.5° |
| H26 | C38 | H27 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C38 | C37 | C36 | C39 | 179.5° | 179.9° |
| C38 | C37 | C36 | C32 | 179.9° | 180.0° |
| C38 | C37 | C39 | CL | 0.2° | 0.0° |
| C38 | C37 | C39 | C34 | 179.9° | 179.8° |
| C38 | C37 | C36 | H24 | 0.1° | 0.1° |
| C37 | C38 | H25 | H26 | 120.0° | 120.0° |
| C37 | C38 | H25 | H27 | 120.0° | 120.0° |
| C37 | C38 | H26 | H27 | 120.0° | 120.0° |
| O01 | C02 | O44 | C03 | 179.8° | 180.0° |
| O01 | C02 | C03 | C04 | 1.6° | 0.3° |
| O01 | C02 | C03 | O43 | 178.5° | 180.0° |
| O01 | C02 | O44 | H28 | 0.0° | 0.0° |
| C37 | C36 | C32 | H24 | 180.0° | 179.9° |
| C36 | C37 | C39 | CL | 179.8° | 180.0° |
| C36 | C37 | C39 | C34 | 0.3° | 0.3° |
| C37 | C36 | C32 | O31 | 180.0° | 180.0° |
| C37 | C36 | C32 | C33 | 0.3° | 0.2° |
| C36 | C37 | C38 | H25 | 89.8° | 90.0° |
| C36 | C37 | C38 | H26 | 150.2° | 150.1° |
| C36 | C37 | C38 | H27 | 30.2° | 30.0° |
| C39 | C37 | C36 | C32 | 0.3° | 0.1° |
| C37 | C39 | CL | C34 | 179.9° | 179.7° |
| C37 | C39 | C34 | C33 | 0.3° | 0.3° |
| C37 | C39 | C34 | C35 | 179.9° | 179.7° |
| C39 | C37 | C36 | H24 | 179.6° | 180.0° |
| C39 | C37 | C38 | H25 | 89.8° | 90.0° |
| C39 | C37 | C38 | H26 | 30.2° | 30.0° |
| C39 | C37 | C38 | H27 | 150.2° | 150.0° |
| C36 | C32 | O31 | C33 | 179.7° | 179.8° |
| C36 | C32 | O31 | C30 | 167.0° | 0.2° |
| C36 | C32 | C33 | C34 | 0.9° | 0.3° |
| C36 | C32 | C33 | H20 | 179.1° | 179.7° |
| O44 | C02 | C03 | C04 | 178.2° | 179.7° |
| O44 | C02 | C03 | O43 | 1.8° | 0.0° |
| C02 | C03 | C04 | O43 | 179.9° | 179.7° |
| C02 | C03 | C04 | C05 | 180.0° | 179.9° |
| C02 | C03 | O43 | C06 | 179.9° | 179.9° |
| C02 | C03 | C04 | H11 | 0.0° | 0.0° |
| C03 | C02 | O44 | H28 | 179.8° | 180.0° |
| C03 | C04 | C05 | H11 | 180.0° | 180.0° |
| C03 | C04 | C05 | C06 | 0.0° | 0.0° |
| C04 | C03 | O43 | C06 | 0.1° | 0.4° |
| C03 | C04 | C05 | H12 | 180.0° | 180.0° |
| C05 | C04 | C03 | O43 | 0.1° | 0.2° |
| C04 | C05 | C06 | H12 | 180.0° | 180.0° |
| C04 | C05 | C06 | O43 | 0.1° | 0.2° |
| C04 | C05 | C06 | S07 | 179.5° | 180.0° |
| CL | C39 | C34 | C33 | 179.6° | 180.0° |
| CL | C39 | C34 | C35 | 0.2° | 0.0° |
| C39 | C34 | C33 | C32 | 0.9° | 0.0° |
| C39 | C34 | C33 | C35 | 179.8° | 179.9° |
| C39 | C34 | C33 | H20 | 179.1° | 180.0° |
| C39 | C34 | C35 | H21 | 90.1° | 90.0° |
| C39 | C34 | C35 | H22 | 149.9° | 30.1° |
| C39 | C34 | C35 | H23 | 29.9° | 150.0° |
| O31 | C32 | C33 | C34 | 179.3° | 180.0° |
| C32 | O31 | C30 | C29 | 168.2° | 180.0° |
| C32 | O31 | C30 | H18 | 48.2° | 60.0° |
| C32 | O31 | C30 | H19 | 71.8° | 60.0° |
| O31 | C32 | C33 | H20 | 0.6° | 0.1° |
| O31 | C32 | C36 | H24 | 0.0° | 0.1° |
| C33 | C32 | O31 | C30 | 12.7° | 180.0° |
| C32 | C33 | C34 | H20 | 180.0° | 180.0° |
| C32 | C33 | C34 | C35 | 179.3° | 180.0° |
| C33 | C32 | C36 | H24 | 179.7° | 179.7° |
| O31 | C30 | C29 | C28 | 48.0° | 180.0° |
| O31 | C30 | C29 | H18 | 120.0° | 120.0° |
| O31 | C30 | C29 | H19 | 120.0° | 120.0° |
| O31 | C30 | C29 | H16 | 167.7° | 60.0° |
| O31 | C30 | C29 | H17 | 71.6° | 60.0° |
| O31 | C30 | H18 | H19 | 119.9° | 120.0° |
| C03 | O43 | C06 | C05 | 0.1° | 0.4° |
| C03 | O43 | C06 | S07 | 179.5° | 179.9° |
| O43 | C03 | C04 | H11 | 179.9° | 179.8° |
| C29 | C28 | C27 | H9 | 120.3° | 120.0° |
| C29 | C28 | C27 | H10 | 120.3° | 120.0° |
| C28 | C29 | C30 | H16 | 119.7° | 120.0° |
| C28 | C29 | C30 | H17 | 119.7° | 120.0° |
| C29 | C28 | C27 | C14 | 89.5° | 90.0° |
| C29 | C28 | C27 | C11 | 90.7° | 89.7° |
| C29 | C28 | H9 | H10 | 119.3° | 120.0° |
| C28 | C29 | H16 | H17 | 121.0° | 120.0° |
| C28 | C29 | C30 | H18 | 168.0° | 60.0° |
| C28 | C29 | C30 | H19 | 72.0° | 60.0° |
| C27 | C28 | C29 | C30 | 79.6° | 180.0° |
| C28 | C27 | C14 | C15 | 0.9° | 0.1° |
| C28 | C27 | C14 | C11 | 179.8° | 179.8° |
| C28 | C27 | C14 | C13 | 178.8° | 179.8° |
| C28 | C27 | C11 | C10 | 2.1° | 0.1° |
| C28 | C27 | C11 | N12 | 177.7° | 179.9° |
| C27 | C28 | H9 | H10 | 119.2° | 120.0° |
| C27 | C28 | C29 | H16 | 40.1° | 60.0° |
| C27 | C28 | C29 | H17 | 160.8° | 60.0° |
| C05 | C06 | O43 | S07 | 179.4° | 179.8° |
| C05 | C06 | S07 | N09 | 17.6° | 90.0° |
| C05 | C06 | S07 | O42 | 143.7° | 156.5° |
| C05 | C06 | S07 | O08 | 100.6° | 23.6° |
| C06 | C05 | C04 | H11 | 180.0° | 180.0° |
| C33 | C34 | C35 | H21 | 90.1° | 89.9° |
| C33 | C34 | C35 | H22 | 29.9° | 150.0° |
| C33 | C34 | C35 | H23 | 149.9° | 30.0° |
| C35 | C34 | C33 | H20 | 0.7° | 0.0° |
| C34 | C35 | H21 | H22 | 120.0° | 120.1° |
| C34 | C35 | H21 | H23 | 120.0° | 120.0° |
| C34 | C35 | H22 | H23 | 120.0° | 120.0° |
| O43 | C06 | S07 | N09 | 163.1° | 89.8° |
| O43 | C06 | S07 | O42 | 37.0° | 23.8° |
| O43 | C06 | S07 | O08 | 78.7° | 156.7° |
| O43 | C06 | C05 | H12 | 179.9° | 179.8° |
| C30 | C29 | C28 | H9 | 40.7° | 60.0° |
| C30 | C29 | C28 | H10 | 160.2° | 60.0° |
| C30 | C29 | H16 | H17 | 121.0° | 120.0° |
| C29 | C30 | H18 | H19 | 120.0° | 120.0° |
| C16 | C15 | C14 | H2 | 180.0° | 179.8° |
| C16 | C15 | C14 | C27 | 179.8° | 179.8° |
| C15 | C16 | C17 | H14 | 180.0° | 179.9° |
| C16 | C15 | C14 | C13 | 0.2° | 0.0° |
| C15 | C16 | C17 | C19 | 0.4° | 0.1° |
| C15 | C16 | C17 | CL2 | 179.8° | 179.9° |
| C15 | C14 | C27 | C13 | 179.6° | 179.8° |
| C15 | C14 | C27 | C11 | 179.3° | 179.8° |
| C14 | C15 | C16 | C17 | 0.2° | 0.1° |
| C15 | C14 | C13 | N12 | 179.4° | 180.0° |
| C15 | C14 | C13 | C19 | 1.2° | 0.0° |
| C14 | C15 | C16 | H14 | 179.8° | 180.0° |
| C14 | C27 | C11 | C10 | 177.7° | 179.8° |
| C14 | C27 | C11 | N12 | 2.1° | 0.2° |
| C27 | C14 | C13 | N12 | 0.3° | 0.2° |
| C27 | C14 | C13 | C19 | 179.1° | 179.9° |
| C27 | C14 | C15 | H2 | 0.2° | 0.0° |
| C14 | C27 | C28 | H9 | 30.8° | 150.0° |
| C14 | C27 | C28 | H10 | 150.2° | 30.0° |
| C11 | C27 | C14 | C13 | 1.1° | 0.0° |
| C27 | C11 | C10 | O41 | 25.2° | 0.3° |
| C27 | C11 | C10 | N12 | 175.1° | 180.0° |
| C27 | C11 | C10 | N09 | 154.1° | 180.0° |
| C27 | C11 | N12 | C13 | 2.5° | 0.3° |
| C27 | C11 | N12 | H1 | 177.6° | 180.0° |
| C11 | C27 | C28 | H9 | 149.1° | 30.3° |
| C11 | C27 | C28 | H10 | 29.6° | 150.3° |
| C06 | S07 | N09 | C10 | 96.1° | 65.0° |
| C06 | S07 | N09 | O42 | 126.8° | 113.5° |
| C06 | S07 | N09 | O08 | 116.7° | 113.5° |
| C06 | S07 | O42 | O08 | 118.4° | 122.9° |
| S07 | C06 | C05 | H12 | 0.5° | 0.0° |
| C06 | S07 | N09 | H13 | 83.9° | 115.1° |
| C16 | C17 | C19 | CL2 | 179.8° | 180.0° |
| C16 | C17 | C19 | C13 | 1.5° | 0.0° |
| C16 | C17 | C19 | C20 | 177.5° | 180.0° |
| C17 | C16 | C15 | H2 | 179.8° | 179.9° |
| C14 | C13 | N12 | C11 | 1.7° | 0.3° |
| C14 | C13 | C19 | C17 | 1.9° | 0.0° |
| C14 | C13 | N12 | C19 | 179.3° | 180.0° |
| C14 | C13 | C19 | C20 | 177.8° | 180.0° |
| C14 | C13 | N12 | H1 | 178.3° | 180.0° |
| C13 | C14 | C15 | H2 | 179.8° | 179.9° |
| O41 | C10 | C11 | N09 | 179.3° | 179.7° |
| O41 | C10 | C11 | N12 | 159.7° | 179.7° |
| O41 | C10 | N09 | S07 | 2.6° | 0.3° |
| O41 | C10 | N09 | H13 | 177.5° | 179.8° |
| C10 | C11 | N12 | C13 | 178.2° | 179.7° |
| C11 | C10 | N09 | S07 | 176.8° | 180.0° |
| C10 | C11 | N12 | H1 | 1.8° | 0.0° |
| C11 | C10 | N09 | H13 | 3.2° | 0.0° |
| N12 | C11 | C10 | N09 | 21.0° | 0.0° |
| C11 | N12 | C13 | H1 | 180.0° | 179.7° |
| C11 | N12 | C13 | C19 | 177.6° | 179.8° |
| C10 | N09 | S07 | H13 | 180.0° | 179.9° |
| C10 | N09 | S07 | O42 | 30.6° | 48.5° |
| C10 | N09 | S07 | O08 | 147.2° | 178.5° |
| C22 | C21 | C20 | C19 | 1.8° | 0.3° |
| C22 | C21 | C20 | N23 | 179.6° | 179.9° |
| C22 | C21 | C20 | C25 | 179.5° | 179.9° |
| C22 | C21 | N23 | N24 | 179.6° | 180.0° |
| C21 | C22 | H3 | H4 | 120.0° | 120.0° |
| C21 | C22 | H3 | H5 | 120.0° | 120.0° |
| C21 | C22 | H4 | H5 | 120.0° | 120.0° |
| C22 | C21 | N23 | H15 | 0.4° | 0.1° |
| C17 | C19 | C13 | N12 | 178.9° | 180.0° |
| C17 | C19 | C13 | C20 | 175.9° | 180.0° |
| C17 | C19 | C20 | C21 | 106.0° | 89.7° |
| C17 | C19 | C20 | C25 | 71.2° | 90.0° |
| C19 | C17 | C16 | H14 | 179.5° | 180.0° |
| CL2 | C17 | C19 | C13 | 178.7° | 180.0° |
| CL2 | C17 | C19 | C20 | 2.7° | 0.0° |
| CL2 | C17 | C16 | H14 | 0.2° | 0.0° |
| N12 | C13 | C19 | C20 | 3.0° | 0.0° |
| C13 | C19 | C20 | C21 | 70.0° | 90.3° |
| C13 | C19 | C20 | C25 | 112.8° | 90.0° |
| C19 | C13 | N12 | H1 | 2.4° | 0.0° |
| N09 | S07 | O42 | O08 | 120.6° | 123.0° |
| O42 | S07 | N09 | H13 | 149.4° | 131.4° |
| O08 | S07 | N09 | H13 | 32.8° | 1.5° |
| C19 | C20 | C21 | C25 | 177.8° | 179.7° |
| C19 | C20 | C21 | N23 | 178.7° | 179.7° |
| C19 | C20 | C25 | N24 | 178.2° | 179.7° |
| C19 | C20 | C25 | C26 | 1.7° | 0.3° |
| C20 | C21 | N23 | N24 | 0.8° | 0.0° |
| C21 | C20 | C25 | N24 | 0.7° | 0.0° |
| C21 | C20 | C25 | C26 | 179.2° | 180.0° |
| C20 | C21 | C22 | H3 | 89.8° | 90.0° |
| C20 | C21 | C22 | H4 | 150.2° | 150.0° |
| C20 | C21 | C22 | H5 | 30.3° | 30.0° |
| C20 | C21 | N23 | H15 | 179.2° | 179.9° |
| N23 | C21 | C20 | C25 | 0.9° | 0.0° |
| C21 | N23 | N24 | H15 | 180.0° | 179.9° |
| C21 | N23 | N24 | C25 | 0.4° | 0.0° |
| N23 | C21 | C22 | H3 | 89.7° | 89.9° |
| N23 | C21 | C22 | H4 | 30.3° | 30.1° |
| N23 | C21 | C22 | H5 | 150.3° | 150.1° |
| C20 | C25 | N24 | N23 | 0.2° | 0.0° |
| C20 | C25 | N24 | C26 | 179.9° | 180.0° |
| C20 | C25 | C26 | H6 | 179.9° | 90.0° |
| C20 | C25 | C26 | H7 | 60.1° | 150.0° |
| C20 | C25 | C26 | H8 | 59.9° | 30.0° |
| N23 | N24 | C25 | C26 | 179.7° | 180.0° |
| N24 | C25 | C26 | H6 | 0.0° | 90.0° |
| N24 | C25 | C26 | H7 | 120.0° | 30.0° |
| N24 | C25 | C26 | H8 | 120.0° | 150.0° |
| C25 | N24 | N23 | H15 | 179.6° | 180.0° |
| C25 | C26 | H6 | H7 | 120.0° | 120.0° |
| C25 | C26 | H6 | H8 | 120.0° | 120.0° |
| C25 | C26 | H7 | H8 | 120.0° | 120.0° |
| H2 | C15 | C16 | H14 | 0.2° | 0.1° |
| H3 | C22 | H4 | H5 | 120.0° | 120.0° |
| H6 | C26 | H7 | H8 | 120.0° | 120.0° |
| H9 | C28 | C29 | H16 | 160.3° | 180.0° |
| H9 | C28 | C29 | H17 | 79.0° | 60.0° |
| H10 | C28 | C29 | H16 | 80.2° | 60.0° |
| H10 | C28 | C29 | H17 | 40.5° | NaN° |
| H11 | C04 | C05 | H12 | 0.0° | 0.0° |
| H16 | C29 | C30 | H18 | 72.3° | 180.0° |
| H16 | C29 | C30 | H19 | 47.7° | 60.0° |
| H17 | C29 | C30 | H18 | 48.4° | 60.0° |
| H17 | C29 | C30 | H19 | 168.4° | 180.0° |
| H21 | C35 | H22 | H23 | 120.0° | 120.0° |
| H25 | C38 | H26 | H27 | 120.0° | 120.0° |
