X1V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C13 | sing | 1.74Å | 1.73Å | |
| C30 | C29 | sing | 1.53Å | 1.50Å | |
| C13 | C12 | doub | 1.34Å | 1.44Å | Aromatic |
| C13 | S15 | sing | 1.71Å | 1.62Å | Aromatic |
| C12 | C11 | sing | 1.37Å | 1.53Å | Aromatic |
| C29 | C31 | sing | 1.53Å | 1.50Å | |
| C29 | C28 | sing | 1.53Å | 1.52Å | |
| S15 | C10 | sing | 1.76Å | 1.61Å | Aromatic |
| C11 | C10 | doub | 1.37Å | 1.43Å | Aromatic |
| C28 | N27 | sing | 1.48Å | 1.43Å | |
| C28 | C32 | sing | 1.51Å | 1.53Å | |
| C10 | C08 | sing | 1.47Å | 1.51Å | |
| N34 | C32 | sing | 1.37Å | 1.40Å | |
| N34 | C35 | sing | 1.48Å | 1.43Å | |
| N27 | C25 | sing | 1.36Å | 1.40Å | |
| C32 | O33 | doub | 1.21Å | 1.13Å | |
| C35 | C36 | sing | 1.51Å | 1.50Å | |
| O17 | C16 | doub | 1.21Å | 1.12Å | |
| C08 | O09 | doub | 1.22Å | 1.14Å | |
| C08 | N07 | sing | 1.35Å | 1.40Å | |
| C25 | O26 | doub | 1.21Å | 1.13Å | |
| C25 | C24 | sing | 1.51Å | 1.52Å | |
| C20 | C19 | sing | 1.53Å | 1.52Å | |
| C20 | S21 | sing | 1.81Å | 1.78Å | |
| C19 | N18 | sing | 1.48Å | 1.41Å | |
| N07 | C06 | sing | 1.46Å | 1.41Å | |
| C36 | C40 | doub | 1.38Å | 1.35Å | Aromatic |
| C36 | C37 | sing | 1.38Å | 1.37Å | Aromatic |
| C24 | C23 | sing | 1.53Å | 1.52Å | |
| C16 | N18 | sing | 1.36Å | 1.42Å | |
| C16 | C05 | sing | 1.51Å | 1.53Å | |
| C40 | C01 | sing | 1.40Å | 1.36Å | Aromatic |
| S22 | S21 | sing | 2.05Å | 2.06Å | |
| S22 | C23 | sing | 1.81Å | 1.78Å | |
| C37 | C38 | doub | 1.38Å | 1.35Å | Aromatic |
| N04 | C05 | sing | 1.48Å | 1.42Å | |
| N04 | C02 | sing | 1.37Å | 1.39Å | |
| C05 | C06 | sing | 1.53Å | 1.51Å | |
| C01 | C02 | sing | 1.48Å | 1.52Å | |
| C01 | C39 | doub | 1.39Å | 1.35Å | Aromatic |
| C38 | C39 | sing | 1.38Å | 1.36Å | Aromatic |
| C02 | O03 | doub | 1.22Å | 1.13Å | |
| N04 | H1 | sing | 0.97Å | 1.00Å | |
| C05 | H2 | sing | 1.09Å | 1.10Å | |
| C06 | H3 | sing | 1.09Å | 1.10Å | |
| C06 | H4 | sing | 1.09Å | 1.10Å | |
| N07 | H5 | sing | 0.97Å | 1.00Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| N18 | H8 | sing | 0.97Å | 1.00Å | |
| C19 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C20 | H12 | sing | 1.09Å | 1.10Å | |
| C23 | H13 | sing | 1.09Å | 1.10Å | |
| C23 | H14 | sing | 1.09Å | 1.10Å | |
| C24 | H15 | sing | 1.09Å | 1.10Å | |
| C24 | H16 | sing | 1.09Å | 1.10Å | |
| N27 | H17 | sing | 0.97Å | 1.00Å | |
| C28 | H18 | sing | 1.09Å | 1.10Å | |
| C29 | H19 | sing | 1.09Å | 1.10Å | |
| C30 | H20 | sing | 1.09Å | 1.10Å | |
| C30 | H21 | sing | 1.09Å | 1.10Å | |
| C30 | H22 | sing | 1.09Å | 1.10Å | |
| C31 | H23 | sing | 1.09Å | 1.10Å | |
| C31 | H24 | sing | 1.09Å | 1.10Å | |
| C31 | H25 | sing | 1.09Å | 1.10Å | |
| N34 | H26 | sing | 0.97Å | 1.00Å | |
| C35 | H27 | sing | 1.09Å | 1.10Å | |
| C35 | H28 | sing | 1.09Å | 1.10Å | |
| C37 | H29 | sing | 1.08Å | 1.08Å | |
| C38 | H30 | sing | 1.08Å | 1.08Å | |
| C39 | H31 | sing | 1.08Å | 1.08Å | |
| C40 | H32 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C13 | C12 | 117.9° | 124.5° |
| CL1 | C13 | S15 | 127.1° | 124.5° |
| C30 | C29 | C31 | 109.0° | 109.5° |
| C30 | C29 | C28 | 113.7° | 109.5° |
| C30 | C29 | H19 | 109.0° | 109.5° |
| C29 | C30 | H20 | 109.5° | 109.5° |
| C29 | C30 | H21 | 109.5° | 109.5° |
| C29 | C30 | H22 | 109.5° | 109.5° |
| C12 | C13 | S15 | 115.0° | 111.0° |
| C13 | C12 | C11 | 107.4° | 115.0° |
| C13 | C12 | H7 | 126.3° | 122.5° |
| C13 | S15 | C10 | 94.7° | 91.5° |
| C12 | C11 | C10 | 107.0° | 113.3° |
| C12 | C11 | H6 | 126.5° | 123.3° |
| C11 | C12 | H7 | 126.3° | 122.5° |
| C31 | C29 | C28 | 107.3° | 109.5° |
| C31 | C29 | H19 | 109.0° | 109.4° |
| C29 | C31 | H23 | 109.5° | 109.5° |
| C29 | C31 | H24 | 109.4° | 109.5° |
| C29 | C31 | H25 | 109.5° | 109.5° |
| C29 | C28 | N27 | 111.5° | 109.5° |
| C29 | C28 | C32 | 109.6° | 109.5° |
| C29 | C28 | H18 | 106.0° | 109.6° |
| C28 | C29 | H19 | 108.8° | 109.5° |
| S15 | C10 | C11 | 115.9° | 109.1° |
| S15 | C10 | C08 | 124.1° | 125.4° |
| C11 | C10 | C08 | 119.9° | 125.5° |
| C10 | C11 | H6 | 126.5° | 123.3° |
| N27 | C28 | C32 | 116.1° | 109.1° |
| C28 | N27 | C25 | 118.6° | 116.2° |
| C28 | N27 | H17 | 120.7° | 121.9° |
| N27 | C28 | H18 | 107.0° | 109.5° |
| C28 | C32 | N34 | 121.7° | 118.6° |
| C28 | C32 | O33 | 121.8° | 120.7° |
| C32 | C28 | H18 | 105.9° | 109.5° |
| C10 | C08 | O09 | 124.2° | 120.0° |
| C10 | C08 | N07 | 114.2° | 120.0° |
| C32 | N34 | C35 | 120.5° | 115.1° |
| N34 | C32 | O33 | 116.5° | 120.7° |
| C32 | N34 | H26 | 119.8° | 122.4° |
| N34 | C35 | C36 | 120.7° | 108.7° |
| C35 | N34 | H26 | 119.7° | 122.5° |
| N34 | C35 | H27 | 106.6° | 109.6° |
| N34 | C35 | H28 | 106.6° | 109.6° |
| N27 | C25 | O26 | 118.4° | 120.4° |
| N27 | C25 | C24 | 119.7° | 119.1° |
| C25 | N27 | H17 | 120.7° | 121.9° |
| C35 | C36 | C40 | 122.8° | 120.0° |
| C35 | C36 | C37 | 117.0° | 119.9° |
| C36 | C35 | H27 | 106.6° | 109.6° |
| C36 | C35 | H28 | 106.6° | 109.6° |
| O17 | C16 | N18 | 117.0° | 120.5° |
| O17 | C16 | C05 | 121.5° | 120.4° |
| O09 | C08 | N07 | 121.5° | 120.0° |
| C08 | N07 | C06 | 122.9° | 120.0° |
| C08 | N07 | H5 | 118.5° | 119.9° |
| O26 | C25 | C24 | 122.0° | 120.4° |
| C25 | C24 | C23 | 115.1° | 109.3° |
| C25 | C24 | H15 | 108.0° | 109.5° |
| C25 | C24 | H16 | 108.0° | 109.5° |
| C19 | C20 | S21 | 111.3° | 109.5° |
| C20 | C19 | N18 | 113.8° | 108.8° |
| C20 | C19 | H9 | 108.4° | 109.6° |
| C20 | C19 | H10 | 108.4° | 109.7° |
| C19 | C20 | H11 | 109.0° | 109.5° |
| C19 | C20 | H12 | 109.0° | 109.5° |
| C20 | S21 | S22 | 116.0° | 103.1° |
| S21 | C20 | H11 | 109.0° | 109.5° |
| S21 | C20 | H12 | 109.0° | 109.4° |
| C19 | N18 | C16 | 122.7° | 116.7° |
| C19 | N18 | H8 | 118.7° | 121.6° |
| N18 | C19 | H9 | 108.4° | 109.6° |
| N18 | C19 | H10 | 108.4° | 109.6° |
| N07 | C06 | C05 | 108.9° | 109.5° |
| N07 | C06 | H3 | 109.6° | 109.5° |
| N07 | C06 | H4 | 109.6° | 109.5° |
| C06 | N07 | H5 | 118.6° | 120.0° |
| C40 | C36 | C37 | 120.1° | 120.1° |
| C36 | C40 | C01 | 120.5° | 119.8° |
| C36 | C40 | H32 | 119.7° | 120.1° |
| C36 | C37 | C38 | 119.7° | 120.4° |
| C36 | C37 | H29 | 120.2° | 119.8° |
| C24 | C23 | S22 | 112.9° | 109.4° |
| C24 | C23 | H13 | 108.6° | 109.5° |
| C24 | C23 | H14 | 108.6° | 109.5° |
| C23 | C24 | H15 | 108.0° | 109.5° |
| C23 | C24 | H16 | 108.0° | 109.5° |
| N18 | C16 | C05 | 121.5° | 119.1° |
| C16 | N18 | H8 | 118.6° | 121.6° |
| C16 | C05 | N04 | 107.0° | 108.6° |
| C16 | C05 | C06 | 115.4° | 109.6° |
| C16 | C05 | H2 | 105.6° | 109.7° |
| C40 | C01 | C02 | 117.7° | 120.1° |
| C40 | C01 | C39 | 119.0° | 119.8° |
| C01 | C40 | H32 | 119.7° | 120.1° |
| S21 | S22 | C23 | 107.5° | 103.1° |
| S22 | C23 | H13 | 108.6° | 109.5° |
| S22 | C23 | H14 | 108.6° | 109.4° |
| C37 | C38 | C39 | 119.3° | 120.1° |
| C38 | C37 | H29 | 120.1° | 119.8° |
| C37 | C38 | H30 | 120.4° | 119.9° |
| C05 | N04 | C02 | 124.4° | 114.9° |
| N04 | C05 | C06 | 115.3° | 109.6° |
| C05 | N04 | H1 | 117.8° | 122.6° |
| N04 | C05 | H2 | 107.0° | 109.7° |
| N04 | C02 | C01 | 118.4° | 118.5° |
| N04 | C02 | O03 | 117.7° | 120.8° |
| C02 | N04 | H1 | 117.8° | 122.5° |
| C06 | C05 | H2 | 105.8° | 109.6° |
| C05 | C06 | H3 | 109.6° | 109.4° |
| C05 | C06 | H4 | 109.6° | 109.5° |
| C02 | C01 | C39 | 123.4° | 120.1° |
| C01 | C02 | O03 | 123.8° | 120.8° |
| C01 | C39 | C38 | 121.4° | 119.9° |
| C01 | C39 | H31 | 119.3° | 120.0° |
| C39 | C38 | H30 | 120.4° | 120.0° |
| C38 | C39 | H31 | 119.3° | 120.1° |
| H3 | C06 | H4 | 109.5° | 109.4° |
| H9 | C19 | H10 | 109.5° | 109.6° |
| H11 | C20 | H12 | 109.5° | 109.4° |
| H13 | C23 | H14 | 109.5° | 109.5° |
| H15 | C24 | H16 | 109.5° | 109.5° |
| H20 | C30 | H21 | 109.5° | 109.4° |
| H20 | C30 | H22 | 109.5° | 109.5° |
| H21 | C30 | H22 | 109.5° | 109.5° |
| H23 | C31 | H24 | 109.5° | 109.4° |
| H23 | C31 | H25 | 109.5° | 109.5° |
| H24 | C31 | H25 | 109.5° | 109.4° |
| H27 | C35 | H28 | 109.5° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C13 | C12 | S15 | 179.5° | 179.7° |
| CL1 | C13 | C12 | C11 | 179.5° | 179.9° |
| CL1 | C13 | S15 | C10 | 179.4° | 180.0° |
| CL1 | C13 | C12 | H7 | 0.5° | 0.0° |
| C30 | C29 | C31 | C28 | 123.5° | 120.0° |
| C30 | C29 | C31 | H19 | 118.8° | 120.0° |
| C30 | C29 | C28 | H19 | 121.6° | 120.0° |
| C30 | C29 | C28 | N27 | 57.8° | 62.8° |
| C30 | C29 | C28 | C32 | 172.2° | 177.6° |
| C30 | C29 | C28 | H18 | 58.4° | 57.4° |
| C29 | C30 | H20 | H21 | 120.0° | 120.0° |
| C29 | C30 | H20 | H22 | 120.0° | 120.0° |
| C29 | C30 | H21 | H22 | 120.0° | 120.0° |
| C30 | C29 | C31 | H23 | 180.0° | 171.0° |
| C30 | C29 | C31 | H24 | 60.0° | 69.0° |
| C30 | C29 | C31 | H25 | 60.0° | 51.0° |
| C13 | C12 | C11 | H7 | 180.0° | 180.0° |
| C12 | C13 | S15 | C10 | 0.0° | 0.3° |
| C13 | C12 | C11 | C10 | 1.6° | 0.0° |
| C13 | C12 | C11 | H6 | 178.4° | 180.0° |
| S15 | C13 | C12 | C11 | 1.0° | 0.2° |
| C13 | S15 | C10 | C11 | 1.1° | 0.3° |
| C13 | S15 | C10 | C08 | 176.5° | 179.9° |
| S15 | C13 | C12 | H7 | 179.0° | 179.7° |
| C12 | C11 | C10 | S15 | 1.8° | 0.3° |
| C12 | C11 | C10 | H6 | 180.0° | 179.9° |
| C12 | C11 | C10 | C08 | 177.4° | 180.0° |
| C31 | C29 | C28 | H19 | 117.8° | 119.9° |
| C31 | C29 | C28 | N27 | 62.8° | 177.1° |
| C31 | C29 | C28 | C32 | 67.1° | 57.5° |
| C31 | C29 | C28 | H18 | 179.0° | 62.7° |
| C31 | C29 | C30 | H20 | 180.0° | 46.3° |
| C31 | C29 | C30 | H21 | 60.0° | 166.3° |
| C31 | C29 | C30 | H22 | 60.0° | 73.7° |
| C29 | C31 | H23 | H24 | 120.0° | 120.0° |
| C29 | C31 | H23 | H25 | 120.0° | 120.0° |
| C29 | C31 | H24 | H25 | 120.0° | 120.0° |
| C29 | C28 | N27 | C32 | 126.5° | 119.9° |
| C29 | C28 | N27 | H18 | 115.5° | 120.2° |
| C29 | C28 | C32 | H18 | 114.0° | 120.2° |
| C29 | C28 | C32 | N34 | 56.6° | 7.8° |
| C29 | C28 | N27 | C25 | 154.2° | 65.6° |
| C29 | C28 | C32 | O33 | 119.6° | 172.2° |
| C29 | C28 | N27 | H17 | 25.8° | 114.3° |
| C28 | C29 | C30 | H20 | 60.3° | 166.3° |
| C28 | C29 | C30 | H21 | 179.7° | 73.7° |
| C28 | C29 | C30 | H22 | 59.7° | 46.3° |
| C28 | C29 | C31 | H23 | 56.5° | 51.0° |
| C28 | C29 | C31 | H24 | 63.5° | 171.0° |
| C28 | C29 | C31 | H25 | 176.5° | 69.0° |
| S15 | C10 | C11 | C08 | 175.6° | 179.7° |
| S15 | C10 | C08 | O09 | 29.0° | 179.7° |
| S15 | C10 | C08 | N07 | 145.7° | 0.3° |
| S15 | C10 | C11 | H6 | 178.2° | 179.8° |
| C11 | C10 | C08 | O09 | 155.8° | 0.0° |
| C11 | C10 | C08 | N07 | 29.5° | 180.0° |
| C10 | C11 | C12 | H7 | 178.3° | 180.0° |
| N27 | C28 | C32 | H18 | 118.6° | 119.9° |
| N27 | C28 | C32 | N34 | 176.0° | 112.1° |
| C28 | N27 | C25 | H17 | 180.0° | 180.0° |
| N27 | C28 | C32 | O33 | 7.9° | 68.0° |
| C28 | N27 | C25 | O26 | 0.7° | 6.0° |
| C28 | N27 | C25 | C24 | 178.7° | 174.0° |
| N27 | C28 | C29 | H19 | 179.4° | 57.2° |
| C28 | C32 | N34 | O33 | 176.3° | 179.9° |
| C28 | C32 | N34 | C35 | 175.7° | 178.8° |
| C32 | C28 | N27 | C25 | 79.3° | 174.5° |
| C32 | C28 | N27 | H17 | 100.7° | 5.6° |
| C32 | C28 | C29 | H19 | 50.6° | 62.4° |
| C28 | C32 | N34 | H26 | 4.3° | 1.2° |
| C10 | C08 | O09 | N07 | 174.4° | 180.0° |
| C10 | C08 | N07 | C06 | 177.5° | 180.0° |
| C10 | C08 | N07 | H5 | 2.5° | 0.0° |
| C08 | C10 | C11 | H6 | 2.6° | 0.1° |
| C32 | N34 | C35 | H26 | 180.0° | 180.0° |
| C32 | N34 | C35 | C36 | 89.5° | 155.9° |
| N34 | C32 | C28 | H18 | 57.4° | 128.0° |
| C32 | N34 | C35 | H27 | 32.1° | 84.4° |
| C32 | N34 | C35 | H28 | 148.9° | 36.1° |
| C35 | N34 | C32 | O33 | 0.6° | 1.2° |
| N34 | C35 | C36 | H27 | 121.6° | 119.7° |
| N34 | C35 | C36 | H28 | 121.6° | 119.8° |
| N34 | C35 | C36 | C40 | 11.0° | 43.7° |
| N34 | C35 | C36 | C37 | 171.3° | 136.5° |
| N34 | C35 | H27 | H28 | 114.9° | 120.4° |
| N27 | C25 | O26 | C24 | 179.3° | 179.9° |
| N27 | C25 | C24 | C23 | 176.3° | 126.5° |
| N27 | C25 | C24 | H15 | 62.9° | 113.6° |
| N27 | C25 | C24 | H16 | 55.5° | 6.4° |
| C25 | N27 | C28 | H18 | 38.7° | 54.6° |
| O33 | C32 | C28 | H18 | 126.5° | 51.9° |
| O33 | C32 | N34 | H26 | 179.4° | 178.8° |
| C35 | C36 | C40 | C37 | 177.6° | 179.7° |
| C35 | C36 | C40 | C01 | 179.7° | 179.9° |
| C35 | C36 | C37 | C38 | 179.3° | 179.7° |
| C36 | C35 | N34 | H26 | 90.5° | 24.1° |
| C36 | C35 | H27 | H28 | 114.9° | 120.4° |
| C35 | C36 | C37 | H29 | 0.7° | 0.4° |
| C35 | C36 | C40 | H32 | 0.3° | 0.3° |
| O17 | C16 | N18 | C19 | 0.7° | 1.7° |
| O17 | C16 | N18 | C05 | 178.6° | 180.0° |
| O17 | C16 | C05 | N04 | 30.1° | 55.5° |
| O17 | C16 | C05 | C06 | 99.7° | 175.2° |
| O17 | C16 | C05 | H2 | 143.8° | 64.4° |
| O17 | C16 | N18 | H8 | 179.4° | 178.3° |
| O09 | C08 | N07 | C06 | 2.6° | 0.0° |
| O09 | C08 | N07 | H5 | 177.4° | 180.0° |
| C08 | N07 | C06 | H5 | 180.0° | 180.0° |
| C08 | N07 | C06 | C05 | 90.2° | 180.0° |
| C08 | N07 | C06 | H3 | 149.9° | 60.0° |
| C08 | N07 | C06 | H4 | 29.6° | 59.9° |
| O26 | C25 | C24 | C23 | 3.0° | 53.6° |
| O26 | C25 | C24 | H15 | 117.8° | 66.3° |
| O26 | C25 | C24 | H16 | 123.8° | 173.6° |
| O26 | C25 | N27 | H17 | 179.3° | 174.0° |
| C25 | C24 | C23 | H15 | 120.8° | 119.9° |
| C25 | C24 | C23 | H16 | 120.8° | 120.0° |
| C25 | C24 | C23 | S22 | 87.6° | 140.0° |
| C25 | C24 | C23 | H13 | 151.9° | 20.0° |
| C25 | C24 | C23 | H14 | 32.9° | 100.1° |
| C25 | C24 | H15 | H16 | 117.4° | 120.1° |
| C24 | C25 | N27 | H17 | 1.3° | 5.9° |
| C19 | C20 | S21 | H11 | 120.3° | 120.1° |
| C19 | C20 | S21 | H12 | 120.3° | 120.0° |
| C20 | C19 | N18 | H9 | 120.6° | 119.8° |
| C20 | C19 | N18 | H10 | 120.6° | 119.9° |
| C20 | C19 | N18 | C16 | 70.8° | 117.8° |
| C19 | C20 | S21 | S22 | 171.2° | 169.9° |
| C20 | C19 | N18 | H8 | 109.1° | 62.2° |
| C20 | C19 | H9 | H10 | 118.0° | 120.4° |
| C19 | C20 | H11 | H12 | 119.2° | 120.0° |
| S21 | C20 | C19 | N18 | 83.4° | 127.9° |
| C20 | S21 | S22 | C23 | 87.2° | 142.4° |
| S21 | C20 | C19 | H9 | 155.9° | 8.1° |
| S21 | C20 | C19 | H10 | 37.2° | 112.2° |
| S21 | C20 | H11 | H12 | 119.2° | 119.9° |
| C19 | N18 | C16 | H8 | 180.0° | 180.0° |
| C19 | N18 | C16 | C05 | 179.3° | 178.3° |
| N18 | C19 | H9 | H10 | 118.0° | 120.3° |
| N18 | C19 | C20 | H11 | 156.3° | 112.0° |
| N18 | C19 | C20 | H12 | 36.9° | 7.9° |
| N07 | C06 | C05 | C16 | 44.1° | 174.1° |
| N07 | C06 | C05 | N04 | 81.5° | 55.0° |
| N07 | C06 | C05 | H3 | 119.9° | 120.0° |
| N07 | C06 | C05 | H4 | 119.9° | 120.1° |
| N07 | C06 | C05 | H2 | 160.5° | 65.4° |
| N07 | C06 | H3 | H4 | 120.3° | 120.0° |
| C36 | C40 | C01 | H32 | 180.0° | 179.8° |
| C40 | C36 | C37 | C38 | 1.5° | 0.0° |
| C36 | C40 | C01 | C02 | 179.0° | 179.9° |
| C36 | C40 | C01 | C39 | 0.8° | 0.3° |
| C40 | C36 | C35 | H27 | 110.6° | 163.5° |
| C40 | C36 | C35 | H28 | 132.6° | 76.0° |
| C40 | C36 | C37 | H29 | 178.5° | 179.9° |
| C37 | C36 | C40 | C01 | 2.0° | 0.2° |
| C36 | C37 | C38 | H29 | 180.0° | 179.9° |
| C36 | C37 | C38 | C39 | 0.2° | 0.1° |
| C37 | C36 | C35 | H27 | 67.1° | 16.8° |
| C37 | C36 | C35 | H28 | 49.7° | 103.7° |
| C36 | C37 | C38 | H30 | 179.7° | 179.9° |
| C37 | C36 | C40 | H32 | 178.0° | 179.9° |
| C24 | C23 | S22 | S21 | 114.3° | 122.7° |
| C24 | C23 | S22 | H13 | 120.5° | 120.0° |
| C24 | C23 | S22 | H14 | 120.5° | 120.0° |
| C24 | C23 | H13 | H14 | 118.4° | 120.1° |
| C23 | C24 | H15 | H16 | 117.4° | 120.1° |
| N18 | C16 | C05 | N04 | 151.4° | 124.5° |
| N18 | C16 | C05 | C06 | 78.8° | 4.8° |
| N18 | C16 | C05 | H2 | 37.7° | 115.6° |
| C16 | N18 | C19 | H9 | 49.8° | 2.0° |
| C16 | N18 | C19 | H10 | 168.5° | 122.3° |
| C16 | C05 | N04 | C06 | 129.8° | 119.7° |
| C16 | C05 | N04 | H2 | 112.8° | 119.9° |
| C16 | C05 | N04 | C02 | 136.9° | 142.6° |
| C16 | C05 | C06 | H2 | 116.4° | 120.5° |
| C16 | C05 | N04 | H1 | 43.1° | 37.4° |
| C16 | C05 | C06 | H3 | 163.9° | 54.1° |
| C16 | C05 | C06 | H4 | 75.8° | 65.8° |
| C05 | C16 | N18 | H8 | 0.7° | 1.7° |
| C40 | C01 | C02 | N04 | 45.5° | 1.3° |
| C40 | C01 | C02 | C39 | 179.8° | 179.7° |
| C40 | C01 | C39 | C38 | 0.9° | 0.2° |
| C40 | C01 | C02 | O03 | 133.3° | 178.6° |
| C40 | C01 | C39 | H31 | 179.1° | 179.8° |
| S22 | S21 | C20 | H11 | 50.9° | 70.0° |
| S22 | S21 | C20 | H12 | 68.5° | 49.9° |
| S21 | S22 | C23 | H13 | 125.3° | 2.7° |
| S21 | S22 | C23 | H14 | 6.3° | 117.3° |
| S22 | C23 | H13 | H14 | 118.4° | 120.0° |
| S22 | C23 | C24 | H15 | 33.2° | 100.1° |
| S22 | C23 | C24 | H16 | 151.5° | 20.0° |
| C37 | C38 | C39 | C01 | 1.4° | 0.0° |
| C37 | C38 | C39 | H30 | 180.0° | 180.0° |
| C37 | C38 | C39 | H31 | 178.6° | 180.0° |
| C05 | N04 | C02 | H1 | 180.0° | 179.9° |
| N04 | C05 | C06 | H2 | 118.0° | 120.4° |
| C05 | N04 | C02 | C01 | 177.0° | 178.8° |
| C05 | N04 | C02 | O03 | 1.8° | 1.1° |
| N04 | C05 | C06 | H3 | 38.4° | 65.0° |
| N04 | C05 | C06 | H4 | 158.6° | 175.1° |
| C02 | N04 | C05 | C06 | 93.3° | 97.6° |
| N04 | C02 | C01 | O03 | 178.8° | 179.9° |
| N04 | C02 | C01 | C39 | 134.3° | 178.9° |
| C02 | N04 | C05 | H2 | 24.1° | 22.7° |
| C06 | C05 | N04 | H1 | 86.7° | 82.3° |
| C05 | C06 | H3 | H4 | 120.3° | 120.0° |
| C05 | C06 | N07 | H5 | 89.8° | 0.1° |
| C02 | C01 | C39 | C38 | 179.3° | 180.0° |
| C01 | C02 | N04 | H1 | 3.0° | 1.1° |
| C02 | C01 | C39 | H31 | 0.7° | 0.0° |
| C02 | C01 | C40 | H32 | 1.0° | 0.2° |
| C01 | C39 | C38 | H31 | 180.0° | 180.0° |
| C39 | C01 | C02 | O03 | 46.9° | 1.1° |
| C01 | C39 | C38 | H30 | 178.5° | 180.0° |
| C39 | C01 | C40 | H32 | 179.2° | 179.9° |
| C39 | C38 | C37 | H29 | 179.8° | 179.8° |
| O03 | C02 | N04 | H1 | 178.2° | 179.0° |
| H1 | N04 | C05 | H2 | 155.9° | 157.3° |
| H2 | C05 | C06 | H3 | 79.7° | 174.6° |
| H2 | C05 | C06 | H4 | 40.6° | 54.6° |
| H3 | C06 | N07 | H5 | 30.1° | 120.0° |
| H4 | C06 | N07 | H5 | 150.4° | 120.0° |
| H6 | C11 | C12 | H7 | 1.7° | 0.1° |
| H8 | N18 | C19 | H9 | 130.2° | 178.0° |
| H8 | N18 | C19 | H10 | 11.5° | 57.7° |
| H9 | C19 | C20 | H11 | 35.7° | 128.2° |
| H9 | C19 | C20 | H12 | 83.8° | 111.8° |
| H10 | C19 | C20 | H11 | 83.0° | 7.8° |
| H10 | C19 | C20 | H12 | 157.5° | 127.8° |
| H13 | C23 | C24 | H15 | 87.3° | 139.9° |
| H13 | C23 | C24 | H16 | 31.0° | 100.0° |
| H14 | C23 | C24 | H15 | 153.7° | 19.8° |
| H14 | C23 | C24 | H16 | 87.9° | 139.9° |
| H17 | N27 | C28 | H18 | 141.3° | 125.4° |
| H18 | C28 | C29 | H19 | 63.2° | 177.4° |
| H19 | C29 | C30 | H20 | 61.2° | 73.7° |
| H19 | C29 | C30 | H21 | 58.8° | 46.3° |
| H19 | C29 | C30 | H22 | 178.8° | 166.3° |
| H19 | C29 | C31 | H23 | 61.2° | 69.0° |
| H19 | C29 | C31 | H24 | 178.8° | 51.0° |
| H19 | C29 | C31 | H25 | 58.8° | 171.0° |
| H20 | C30 | H21 | H22 | 120.0° | 120.0° |
| H23 | C31 | H24 | H25 | 120.0° | 120.0° |
| H26 | N34 | C35 | H27 | 147.9° | 95.6° |
| H26 | N34 | C35 | H28 | 31.1° | 143.9° |
| H29 | C37 | C38 | H30 | 0.3° | 0.2° |
| H30 | C38 | C39 | H31 | 1.5° | 0.0° |
