DEJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C14 | sing | 1.39Å | 1.42Å | Aromatic |
| N13 | C14 | sing | 1.38Å | 1.41Å | Aromatic |
| N13 | C12 | sing | 1.37Å | 1.43Å | Aromatic |
| C18 | C17 | sing | 1.39Å | 1.41Å | Aromatic |
| C27 | C24 | sing | 1.53Å | 1.54Å | |
| C14 | C15 | doub | 1.41Å | 1.41Å | Aromatic |
| C26 | C24 | sing | 1.53Å | 1.56Å | |
| C12 | C11 | doub | 1.34Å | 1.41Å | Aromatic |
| C24 | C25 | sing | 1.53Å | 1.54Å | |
| C24 | O23 | sing | 1.45Å | 1.47Å | |
| O22 | C21 | doub | 1.22Å | 1.25Å | |
| C17 | C16 | doub | 1.37Å | 1.40Å | Aromatic |
| C15 | C11 | sing | 1.47Å | 1.48Å | Aromatic |
| C15 | C16 | sing | 1.40Å | 1.42Å | Aromatic |
| C11 | C10 | sing | 1.51Å | 1.48Å | |
| C21 | O23 | sing | 1.35Å | 1.42Å | |
| C21 | N20 | sing | 1.35Å | 1.45Å | |
| C10 | C09 | sing | 1.53Å | 1.57Å | |
| N20 | C09 | sing | 1.47Å | 1.48Å | |
| C35 | C34 | doub | 1.38Å | 1.38Å | Aromatic |
| C35 | N36 | sing | 1.32Å | 1.33Å | Aromatic |
| C09 | C08 | sing | 1.53Å | 1.57Å | |
| C34 | C33 | sing | 1.39Å | 1.37Å | Aromatic |
| C03 | C02 | sing | 1.53Å | 1.52Å | |
| N36 | C37 | doub | 1.32Å | 1.35Å | Aromatic |
| C01 | C02 | sing | 1.53Å | 1.56Å | |
| C33 | C32 | doub | 1.39Å | 1.37Å | Aromatic |
| C08 | S07 | sing | 1.81Å | 1.91Å | |
| C02 | N04 | sing | 1.47Å | 1.57Å | |
| C37 | C32 | sing | 1.38Å | 1.36Å | Aromatic |
| S07 | C06 | sing | 1.81Å | 1.87Å | |
| C32 | C31 | sing | 1.51Å | 1.50Å | |
| C05 | N04 | sing | 1.47Å | 1.53Å | |
| C05 | C06 | sing | 1.53Å | 1.54Å | |
| C05 | C28 | sing | 1.51Å | 1.56Å | |
| N30 | C31 | sing | 1.46Å | 1.44Å | |
| N30 | C28 | sing | 1.35Å | 1.39Å | |
| C28 | O29 | doub | 1.21Å | 1.26Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| C03 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| C03 | H7 | sing | 1.09Å | 1.10Å | |
| C05 | H8 | sing | 1.09Å | 1.10Å | |
| C06 | H9 | sing | 1.09Å | 1.10Å | |
| C06 | H10 | sing | 1.09Å | 1.10Å | |
| C08 | H11 | sing | 1.09Å | 1.10Å | |
| C08 | H12 | sing | 1.09Å | 1.10Å | |
| C09 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.08Å | 1.08Å | |
| C16 | H17 | sing | 1.08Å | 1.08Å | |
| C17 | H18 | sing | 1.08Å | 1.08Å | |
| C18 | H19 | sing | 1.08Å | 1.08Å | |
| C19 | H20 | sing | 1.08Å | 1.08Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C26 | H24 | sing | 1.09Å | 1.10Å | |
| C26 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H28 | sing | 1.09Å | 1.10Å | |
| C27 | H29 | sing | 1.09Å | 1.10Å | |
| C31 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C33 | H32 | sing | 1.08Å | 1.08Å | |
| C34 | H33 | sing | 1.08Å | 1.08Å | |
| C35 | H34 | sing | 1.08Å | 1.08Å | |
| C37 | H35 | sing | 1.08Å | 1.08Å | |
| N04 | H36 | sing | 1.01Å | 1.00Å | |
| N13 | H38 | sing | 0.97Å | 1.00Å | |
| N20 | H39 | sing | 0.97Å | 1.00Å | |
| N30 | H40 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | C19 | C14 | 118.7° | 119.8° |
| C19 | C18 | C17 | 119.8° | 120.7° |
| C19 | C18 | H19 | 120.1° | 119.7° |
| C18 | C19 | H20 | 120.7° | 120.1° |
| C19 | C14 | N13 | 127.8° | 133.5° |
| C19 | C14 | C15 | 123.6° | 119.3° |
| C14 | C19 | H20 | 120.6° | 120.1° |
| C14 | N13 | C12 | 108.2° | 109.9° |
| N13 | C14 | C15 | 108.6° | 107.1° |
| C14 | N13 | H38 | 125.9° | 125.0° |
| N13 | C12 | C11 | 109.6° | 110.0° |
| N13 | C12 | H16 | 125.2° | 125.0° |
| C12 | N13 | H38 | 125.9° | 125.1° |
| C18 | C17 | C16 | 120.5° | 120.5° |
| C18 | C17 | H18 | 119.7° | 119.7° |
| C17 | C18 | H19 | 120.1° | 119.6° |
| C27 | C24 | C26 | 111.6° | 109.5° |
| C27 | C24 | C25 | 108.5° | 109.5° |
| C27 | C24 | O23 | 106.0° | 109.5° |
| C24 | C27 | H27 | 109.5° | 109.5° |
| C24 | C27 | H28 | 109.5° | 109.4° |
| C24 | C27 | H29 | 109.5° | 109.4° |
| C14 | C15 | C11 | 107.9° | 106.1° |
| C14 | C15 | C16 | 115.5° | 119.9° |
| C26 | C24 | C25 | 106.3° | 109.5° |
| C26 | C24 | O23 | 114.3° | 109.5° |
| C24 | C26 | H24 | 109.5° | 109.5° |
| C24 | C26 | H25 | 109.5° | 109.5° |
| C24 | C26 | H26 | 109.5° | 109.5° |
| C12 | C11 | C15 | 105.7° | 107.0° |
| C12 | C11 | C10 | 123.3° | 126.5° |
| C11 | C12 | H16 | 125.2° | 125.0° |
| C25 | C24 | O23 | 110.1° | 109.4° |
| C24 | C25 | H21 | 109.5° | 109.5° |
| C24 | C25 | H22 | 109.5° | 109.4° |
| C24 | C25 | H23 | 109.5° | 109.5° |
| C24 | O23 | C21 | 127.3° | 117.0° |
| O22 | C21 | O23 | 113.7° | 120.0° |
| O22 | C21 | N20 | 114.9° | 120.0° |
| C17 | C16 | C15 | 121.9° | 119.8° |
| C17 | C16 | H17 | 119.1° | 120.1° |
| C16 | C17 | H18 | 119.8° | 119.7° |
| C11 | C15 | C16 | 136.7° | 134.0° |
| C15 | C11 | C10 | 131.0° | 126.5° |
| C15 | C16 | H17 | 119.1° | 120.1° |
| C11 | C10 | C09 | 119.5° | 109.5° |
| C11 | C10 | H14 | 106.9° | 109.5° |
| C11 | C10 | H15 | 106.9° | 109.4° |
| O23 | C21 | N20 | 120.0° | 120.0° |
| C21 | N20 | C09 | 126.1° | 120.0° |
| C21 | N20 | H39 | 117.0° | 120.0° |
| C10 | C09 | N20 | 111.6° | 109.5° |
| C10 | C09 | C08 | 111.4° | 109.5° |
| C10 | C09 | H13 | 107.1° | 109.5° |
| C09 | C10 | H14 | 106.9° | 109.5° |
| C09 | C10 | H15 | 106.9° | 109.5° |
| N20 | C09 | C08 | 111.1° | 109.5° |
| N20 | C09 | H13 | 108.2° | 109.4° |
| C09 | N20 | H39 | 116.9° | 120.0° |
| C34 | C35 | N36 | 119.9° | 120.8° |
| C35 | C34 | C33 | 118.0° | 119.1° |
| C35 | C34 | H33 | 121.0° | 120.5° |
| C34 | C35 | H34 | 120.1° | 119.6° |
| C35 | N36 | C37 | 120.3° | 121.7° |
| N36 | C35 | H34 | 120.1° | 119.6° |
| C09 | C08 | S07 | 114.3° | 109.5° |
| C09 | C08 | H11 | 108.2° | 109.5° |
| C09 | C08 | H12 | 108.3° | 109.5° |
| C08 | C09 | H13 | 107.2° | 109.5° |
| C34 | C33 | C32 | 123.3° | 118.4° |
| C34 | C33 | H32 | 118.3° | 120.8° |
| C33 | C34 | H33 | 121.0° | 120.4° |
| C03 | C02 | C01 | 106.9° | 109.5° |
| C03 | C02 | N04 | 111.4° | 109.5° |
| C03 | C02 | H4 | 108.9° | 109.5° |
| C02 | C03 | H5 | 109.5° | 109.4° |
| C02 | C03 | H6 | 109.5° | 109.5° |
| C02 | C03 | H7 | 109.4° | 109.5° |
| N36 | C37 | C32 | 124.1° | 120.7° |
| N36 | C37 | H35 | 117.9° | 119.6° |
| C01 | C02 | N04 | 112.8° | 109.5° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C01 | C02 | H4 | 108.5° | 109.4° |
| C33 | C32 | C37 | 114.3° | 119.2° |
| C33 | C32 | C31 | 122.5° | 120.5° |
| C32 | C33 | H32 | 118.4° | 120.8° |
| C08 | S07 | C06 | 114.8° | 103.0° |
| S07 | C08 | H11 | 108.3° | 109.5° |
| S07 | C08 | H12 | 108.2° | 109.4° |
| C02 | N04 | C05 | 111.9° | 111.0° |
| N04 | C02 | H4 | 108.3° | 109.5° |
| C02 | N04 | H36 | 108.9° | 111.0° |
| C37 | C32 | C31 | 123.1° | 120.4° |
| C32 | C37 | H35 | 117.9° | 119.7° |
| S07 | C06 | C05 | 108.5° | 109.5° |
| S07 | C06 | H9 | 109.7° | 109.5° |
| S07 | C06 | H10 | 109.7° | 109.5° |
| C32 | C31 | N30 | 105.7° | 109.5° |
| C32 | C31 | H30 | 110.4° | 109.5° |
| C32 | C31 | H31 | 110.4° | 109.4° |
| N04 | C05 | C06 | 115.9° | 109.4° |
| N04 | C05 | C28 | 109.9° | 109.5° |
| N04 | C05 | H8 | 106.2° | 109.5° |
| C05 | N04 | H36 | 108.8° | 111.0° |
| C06 | C05 | C28 | 112.2° | 109.5° |
| C06 | C05 | H8 | 106.0° | 109.4° |
| C05 | C06 | H9 | 109.7° | 109.5° |
| C05 | C06 | H10 | 109.7° | 109.4° |
| C05 | C28 | N30 | 118.8° | 120.0° |
| C05 | C28 | O29 | 117.7° | 120.0° |
| C28 | C05 | H8 | 105.9° | 109.5° |
| C31 | N30 | C28 | 137.4° | 120.0° |
| N30 | C31 | H30 | 110.4° | 109.5° |
| N30 | C31 | H31 | 110.4° | 109.5° |
| C31 | N30 | H40 | 111.3° | 120.0° |
| N30 | C28 | O29 | 123.4° | 119.9° |
| C28 | N30 | H40 | 111.3° | 120.0° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.4° | 109.4° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H5 | C03 | H6 | 109.5° | 109.4° |
| H5 | C03 | H7 | 109.5° | 109.5° |
| H6 | C03 | H7 | 109.5° | 109.5° |
| H9 | C06 | H10 | 109.5° | 109.5° |
| H11 | C08 | H12 | 109.5° | 109.5° |
| H14 | C10 | H15 | 109.5° | 109.4° |
| H21 | C25 | H22 | 109.5° | 109.5° |
| H21 | C25 | H23 | 109.4° | 109.5° |
| H22 | C25 | H23 | 109.5° | 109.5° |
| H24 | C26 | H25 | 109.5° | 109.5° |
| H24 | C26 | H26 | 109.4° | 109.5° |
| H25 | C26 | H26 | 109.5° | 109.4° |
| H27 | C27 | H28 | 109.4° | 109.5° |
| H27 | C27 | H29 | 109.5° | 109.5° |
| H28 | C27 | H29 | 109.5° | 109.5° |
| H30 | C31 | H31 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | C19 | C14 | H20 | 180.0° | 179.9° |
| C18 | C19 | C14 | N13 | 179.8° | 180.0° |
| C19 | C18 | C17 | H19 | 180.0° | 179.9° |
| C18 | C19 | C14 | C15 | 0.4° | 0.1° |
| C19 | C18 | C17 | C16 | 0.0° | 0.0° |
| C19 | C18 | C17 | H18 | 180.0° | 180.0° |
| C19 | C14 | N13 | C15 | 179.9° | 180.0° |
| C19 | C14 | N13 | C12 | 179.9° | 180.0° |
| C14 | C19 | C18 | C17 | 0.2° | 0.0° |
| C19 | C14 | C15 | C11 | 179.8° | 179.9° |
| C19 | C14 | C15 | C16 | 0.3° | 0.1° |
| C14 | C19 | C18 | H19 | 179.8° | 180.0° |
| C19 | C14 | N13 | H38 | 0.1° | 0.1° |
| C14 | N13 | C12 | H38 | 180.0° | 180.0° |
| C14 | N13 | C12 | C11 | 0.0° | 0.2° |
| N13 | C14 | C15 | C11 | 0.1° | 0.1° |
| N13 | C14 | C15 | C16 | 179.8° | 180.0° |
| C14 | N13 | C12 | H16 | 180.0° | 179.8° |
| N13 | C14 | C19 | H20 | 0.3° | 0.1° |
| C12 | N13 | C14 | C15 | 0.0° | 0.0° |
| N13 | C12 | C11 | H16 | 180.0° | 180.0° |
| N13 | C12 | C11 | C15 | 0.1° | 0.3° |
| N13 | C12 | C11 | C10 | 179.3° | 180.0° |
| C18 | C17 | C16 | H18 | 180.0° | 180.0° |
| C18 | C17 | C16 | C15 | 0.0° | 0.0° |
| C18 | C17 | C16 | H17 | 179.9° | 180.0° |
| C17 | C18 | C19 | H20 | 179.8° | 179.9° |
| C27 | C24 | C26 | C25 | 118.1° | 120.0° |
| C27 | C24 | C26 | O23 | 120.3° | 120.0° |
| C27 | C24 | C25 | O23 | 115.6° | 119.9° |
| C27 | C24 | O23 | C21 | 62.1° | 180.0° |
| C27 | C24 | C25 | H21 | 180.0° | 59.9° |
| C27 | C24 | C25 | H22 | 60.0° | 60.0° |
| C27 | C24 | C25 | H23 | 60.0° | 180.0° |
| C27 | C24 | C26 | H24 | 180.0° | 60.0° |
| C27 | C24 | C26 | H25 | 60.0° | 60.0° |
| C27 | C24 | C26 | H26 | 60.0° | 180.0° |
| C24 | C27 | H27 | H28 | 120.0° | 120.0° |
| C24 | C27 | H27 | H29 | 120.0° | 120.0° |
| C24 | C27 | H28 | H29 | 120.0° | 119.9° |
| C14 | C15 | C11 | C12 | 0.1° | 0.2° |
| C14 | C15 | C16 | C17 | 0.2° | 0.1° |
| C14 | C15 | C11 | C16 | 179.8° | 179.8° |
| C14 | C15 | C11 | C10 | 179.2° | 179.9° |
| C14 | C15 | C16 | H17 | 179.8° | 180.0° |
| C15 | C14 | C19 | H20 | 179.6° | 180.0° |
| C15 | C14 | N13 | H38 | 180.0° | 180.0° |
| C26 | C24 | C25 | O23 | 124.3° | 120.0° |
| C26 | C24 | O23 | C21 | 61.2° | 60.0° |
| C26 | C24 | C25 | H21 | 59.9° | 180.0° |
| C26 | C24 | C25 | H22 | 179.9° | 60.0° |
| C26 | C24 | C25 | H23 | 60.1° | 60.0° |
| C24 | C26 | H24 | H25 | 120.0° | 120.0° |
| C24 | C26 | H24 | H26 | 120.0° | 120.0° |
| C24 | C26 | H25 | H26 | 120.0° | 120.0° |
| C26 | C24 | C27 | H27 | 180.0° | 180.0° |
| C26 | C24 | C27 | H28 | 60.0° | 60.0° |
| C26 | C24 | C27 | H29 | 60.0° | 60.0° |
| C12 | C11 | C15 | C10 | 179.1° | 179.7° |
| C12 | C11 | C15 | C16 | 179.7° | 180.0° |
| C12 | C11 | C10 | C09 | 13.4° | 94.9° |
| C12 | C11 | C10 | H14 | 134.8° | 145.0° |
| C12 | C11 | C10 | H15 | 108.0° | 25.1° |
| C11 | C12 | N13 | H38 | 179.9° | 179.8° |
| C25 | C24 | O23 | C21 | 179.2° | 60.0° |
| C24 | C25 | H21 | H22 | 120.0° | 120.0° |
| C24 | C25 | H21 | H23 | 120.0° | 120.0° |
| C24 | C25 | H22 | H23 | 120.0° | 120.0° |
| C25 | C24 | C26 | H24 | 61.9° | 60.1° |
| C25 | C24 | C26 | H25 | 58.1° | 179.9° |
| C25 | C24 | C26 | H26 | 178.1° | 60.0° |
| C25 | C24 | C27 | H27 | 63.3° | 60.0° |
| C25 | C24 | C27 | H28 | 176.8° | 180.0° |
| C25 | C24 | C27 | H29 | 56.8° | 60.1° |
| C24 | O23 | C21 | O22 | 36.6° | 0.1° |
| C24 | O23 | C21 | N20 | 178.4° | 180.0° |
| O23 | C24 | C25 | H21 | 64.4° | 60.0° |
| O23 | C24 | C25 | H22 | 55.6° | 180.0° |
| O23 | C24 | C25 | H23 | 175.6° | 60.0° |
| O23 | C24 | C26 | H24 | 59.7° | 180.0° |
| O23 | C24 | C26 | H25 | 179.7° | 60.0° |
| O23 | C24 | C26 | H26 | 60.3° | 60.0° |
| O23 | C24 | C27 | H27 | 54.9° | 60.0° |
| O23 | C24 | C27 | H28 | 65.0° | 60.1° |
| O23 | C24 | C27 | H29 | 175.0° | 180.0° |
| O22 | C21 | O23 | N20 | 141.7° | 180.0° |
| O22 | C21 | N20 | C09 | 104.5° | 0.0° |
| O22 | C21 | N20 | H39 | 75.5° | 180.0° |
| C17 | C16 | C15 | C11 | 179.9° | 179.8° |
| C17 | C16 | C15 | H17 | 180.0° | 179.9° |
| C16 | C17 | C18 | H19 | 180.0° | 179.9° |
| C15 | C11 | C10 | C09 | 165.5° | 84.7° |
| C15 | C11 | C10 | H14 | 44.1° | 35.4° |
| C15 | C11 | C10 | H15 | 73.1° | 155.3° |
| C15 | C11 | C12 | H16 | 179.9° | 179.7° |
| C11 | C15 | C16 | H17 | 0.0° | 0.3° |
| C16 | C15 | C11 | C10 | 0.6° | 0.3° |
| C15 | C16 | C17 | H18 | 180.0° | 179.9° |
| C11 | C10 | C09 | H14 | 121.4° | 120.0° |
| C11 | C10 | C09 | H15 | 121.4° | 120.0° |
| C11 | C10 | C09 | N20 | 101.0° | 65.0° |
| C11 | C10 | C09 | C08 | 134.2° | 175.0° |
| C11 | C10 | C09 | H13 | 17.2° | 55.0° |
| C11 | C10 | H14 | H15 | 115.5° | 119.9° |
| C10 | C11 | C12 | H16 | 0.8° | 0.0° |
| O23 | C21 | N20 | C09 | 114.2° | 180.0° |
| O23 | C21 | N20 | H39 | 65.8° | 0.0° |
| C21 | N20 | C09 | C10 | 44.8° | 60.0° |
| C21 | N20 | C09 | H39 | 180.0° | 180.0° |
| C21 | N20 | C09 | C08 | 169.8° | 60.0° |
| C21 | N20 | C09 | H13 | 72.8° | 180.0° |
| C10 | C09 | N20 | C08 | 125.0° | 120.0° |
| C10 | C09 | N20 | H13 | 117.6° | 120.0° |
| C10 | C09 | C08 | H13 | 116.9° | 120.0° |
| C10 | C09 | C08 | S07 | 22.3° | 175.0° |
| C10 | C09 | C08 | H11 | 98.5° | 55.0° |
| C10 | C09 | C08 | H12 | 143.0° | 65.0° |
| C09 | C10 | H14 | H15 | 115.4° | 120.0° |
| C10 | C09 | N20 | H39 | 135.2° | 120.0° |
| N20 | C09 | C08 | H13 | 118.0° | 120.0° |
| N20 | C09 | C08 | S07 | 147.4° | 65.0° |
| N20 | C09 | C08 | H11 | 26.6° | 175.0° |
| N20 | C09 | C08 | H12 | 91.9° | 55.0° |
| N20 | C09 | C10 | H14 | 137.6° | 55.0° |
| N20 | C09 | C10 | H15 | 20.4° | 175.0° |
| C34 | C35 | N36 | H34 | 180.0° | 179.9° |
| C35 | C34 | C33 | H33 | 180.0° | 179.9° |
| C34 | C35 | N36 | C37 | 2.3° | 0.4° |
| C35 | C34 | C33 | C32 | 1.4° | 0.0° |
| C35 | C34 | C33 | H32 | 178.5° | 180.0° |
| N36 | C35 | C34 | C33 | 1.6° | 0.1° |
| C35 | N36 | C37 | C32 | 3.0° | 0.7° |
| N36 | C35 | C34 | H33 | 178.4° | 179.9° |
| C35 | N36 | C37 | H35 | 177.0° | 179.6° |
| C09 | C08 | S07 | H11 | 120.7° | 120.0° |
| C09 | C08 | S07 | H12 | 120.7° | 120.0° |
| C09 | C08 | S07 | C06 | 89.3° | 180.0° |
| C09 | C08 | H11 | H12 | 117.8° | 120.0° |
| C08 | C09 | C10 | H14 | 12.8° | 65.0° |
| C08 | C09 | C10 | H15 | 104.4° | 55.0° |
| C08 | C09 | N20 | H39 | 10.2° | 120.0° |
| C34 | C33 | C32 | H32 | 180.0° | 180.0° |
| C34 | C33 | C32 | C37 | 1.9° | 0.3° |
| C34 | C33 | C32 | C31 | 178.2° | 180.0° |
| C33 | C34 | C35 | H34 | 178.4° | 180.0° |
| C03 | C02 | C01 | N04 | 122.7° | 120.0° |
| C03 | C02 | C01 | H4 | 117.3° | 120.0° |
| C03 | C02 | N04 | H4 | 119.7° | 120.0° |
| C03 | C02 | N04 | C05 | 77.5° | 85.4° |
| C03 | C02 | C01 | H1 | 180.0° | 60.0° |
| C03 | C02 | C01 | H2 | 60.0° | 60.0° |
| C03 | C02 | C01 | H3 | 60.0° | 179.9° |
| C02 | C03 | H5 | H6 | 120.0° | 120.0° |
| C02 | C03 | H5 | H7 | 120.0° | 120.0° |
| C02 | C03 | H6 | H7 | 120.0° | 120.0° |
| C03 | C02 | N04 | H36 | 42.8° | 38.6° |
| N36 | C37 | C32 | C33 | 2.7° | 0.6° |
| N36 | C37 | C32 | H35 | 180.0° | 179.6° |
| N36 | C37 | C32 | C31 | 179.0° | 179.6° |
| C37 | N36 | C35 | H34 | 177.7° | 179.7° |
| C01 | C02 | N04 | H4 | 120.1° | 120.0° |
| C01 | C02 | N04 | C05 | 42.6° | 154.7° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.1° |
| C01 | C02 | C03 | H5 | 180.0° | 175.1° |
| C01 | C02 | C03 | H6 | 60.0° | 55.1° |
| C01 | C02 | C03 | H7 | 60.0° | 64.8° |
| C01 | C02 | N04 | H36 | 163.0° | 81.4° |
| C33 | C32 | C37 | C31 | 176.3° | 179.7° |
| C33 | C32 | C31 | N30 | 60.6° | 90.0° |
| C33 | C32 | C31 | H30 | 58.8° | 150.0° |
| C33 | C32 | C31 | H31 | 180.0° | 30.0° |
| C32 | C33 | C34 | H33 | 178.5° | 180.0° |
| C33 | C32 | C37 | H35 | 177.3° | 179.7° |
| C08 | S07 | C06 | C05 | 5.3° | 180.0° |
| C08 | S07 | C06 | H9 | 114.6° | 60.0° |
| C08 | S07 | C06 | H10 | 125.1° | 60.0° |
| S07 | C08 | H11 | H12 | 117.8° | 120.0° |
| S07 | C08 | C09 | H13 | 94.7° | 55.0° |
| C02 | N04 | C05 | H36 | 120.4° | 123.9° |
| C02 | N04 | C05 | C06 | 125.6° | 155.0° |
| C02 | N04 | C05 | C28 | 105.9° | 85.0° |
| N04 | C02 | C01 | H1 | 57.3° | 60.0° |
| N04 | C02 | C01 | H2 | 177.3° | 180.0° |
| N04 | C02 | C01 | H3 | 62.7° | 59.9° |
| N04 | C02 | C03 | H5 | 56.4° | 64.9° |
| N04 | C02 | C03 | H6 | 63.6° | 175.1° |
| N04 | C02 | C03 | H7 | 176.4° | 55.2° |
| C02 | N04 | C05 | H8 | 8.2° | 35.1° |
| C37 | C32 | C31 | N30 | 115.4° | 90.3° |
| C37 | C32 | C31 | H30 | 125.2° | 29.8° |
| C37 | C32 | C31 | H31 | 4.0° | 149.7° |
| C37 | C32 | C33 | H32 | 178.1° | 179.8° |
| S07 | C06 | C05 | N04 | 157.3° | 65.2° |
| S07 | C06 | C05 | H9 | 119.8° | 120.0° |
| S07 | C06 | C05 | H10 | 119.8° | 120.0° |
| S07 | C06 | C05 | C28 | 75.3° | 174.8° |
| S07 | C06 | C05 | H8 | 39.8° | 54.8° |
| S07 | C06 | H9 | H10 | 120.5° | 120.0° |
| C06 | S07 | C08 | H11 | 31.5° | 60.0° |
| C06 | S07 | C08 | H12 | 150.0° | 60.0° |
| C32 | C31 | N30 | H30 | 119.4° | 120.0° |
| C32 | C31 | N30 | H31 | 119.4° | 119.9° |
| C32 | C31 | N30 | C28 | 159.5° | 180.0° |
| C32 | C31 | H30 | H31 | 121.8° | 119.9° |
| C31 | C32 | C33 | H32 | 1.8° | 0.0° |
| C31 | C32 | C37 | H35 | 1.0° | 0.0° |
| C32 | C31 | N30 | H40 | 20.6° | 0.1° |
| N04 | C05 | C06 | C28 | 127.3° | 120.0° |
| N04 | C05 | C06 | H8 | 117.5° | 120.0° |
| N04 | C05 | C28 | H8 | 114.3° | 120.1° |
| N04 | C05 | C28 | N30 | 91.3° | 159.0° |
| N04 | C05 | C28 | O29 | 91.1° | 21.1° |
| C05 | N04 | C02 | H4 | 162.7° | 34.7° |
| N04 | C05 | C06 | H9 | 82.8° | 54.8° |
| N04 | C05 | C06 | H10 | 37.5° | 174.8° |
| C06 | C05 | C28 | H8 | 115.2° | 120.0° |
| C06 | C05 | C28 | N30 | 138.2° | 81.1° |
| C06 | C05 | C28 | O29 | 39.4° | 98.9° |
| C05 | C06 | H9 | H10 | 120.5° | 120.0° |
| C06 | C05 | N04 | H36 | 5.2° | 31.1° |
| C05 | C28 | N30 | C31 | 179.1° | 180.0° |
| C05 | C28 | N30 | O29 | 177.5° | 179.9° |
| C28 | C05 | C06 | H9 | 44.5° | 65.1° |
| C28 | C05 | C06 | H10 | 164.8° | 54.9° |
| C28 | C05 | N04 | H36 | 133.7° | 151.1° |
| C05 | C28 | N30 | H40 | 0.9° | 0.1° |
| C31 | N30 | C28 | H40 | 180.0° | 179.9° |
| C31 | N30 | C28 | O29 | 1.6° | 0.1° |
| N30 | C31 | H30 | H31 | 121.7° | 120.0° |
| N30 | C28 | C05 | H8 | 22.9° | 38.9° |
| C28 | N30 | C31 | H30 | 81.2° | 59.9° |
| C28 | N30 | C31 | H31 | 40.1° | 60.1° |
| O29 | C28 | C05 | H8 | 154.7° | 141.1° |
| O29 | C28 | N30 | H40 | 178.4° | 180.0° |
| H1 | C01 | H2 | H3 | 120.0° | 119.9° |
| H1 | C01 | C02 | H4 | 62.7° | 180.0° |
| H2 | C01 | C02 | H4 | 57.3° | 60.0° |
| H3 | C01 | C02 | H4 | 177.3° | 60.1° |
| H4 | C02 | C03 | H5 | 63.0° | 55.2° |
| H4 | C02 | C03 | H6 | 177.0° | 64.8° |
| H4 | C02 | C03 | H7 | 57.0° | 175.2° |
| H4 | C02 | N04 | H36 | 77.0° | 158.6° |
| H5 | C03 | H6 | H7 | 120.0° | 120.0° |
| H8 | C05 | C06 | H9 | 159.7° | 174.8° |
| H8 | C05 | C06 | H10 | 80.0° | 65.2° |
| H8 | C05 | N04 | H36 | 112.2° | 88.9° |
| H11 | C08 | C09 | H13 | 144.6° | 65.0° |
| H12 | C08 | C09 | H13 | 26.0° | 174.9° |
| H13 | C09 | C10 | H14 | 104.2° | 175.0° |
| H13 | C09 | C10 | H15 | 138.6° | 65.0° |
| H13 | C09 | N20 | H39 | 107.2° | 0.0° |
| H16 | C12 | N13 | H38 | 0.0° | 0.2° |
| H17 | C16 | C17 | H18 | 0.1° | 0.0° |
| H18 | C17 | C18 | H19 | 0.0° | 0.0° |
| H19 | C18 | C19 | H20 | 0.2° | 0.2° |
| H21 | C25 | H22 | H23 | 120.0° | 120.0° |
| H24 | C26 | H25 | H26 | 120.0° | 120.0° |
| H27 | C27 | H28 | H29 | 120.0° | 120.1° |
| H30 | C31 | N30 | H40 | 98.8° | 120.0° |
| H31 | C31 | N30 | H40 | 139.9° | 120.0° |
| H32 | C33 | C34 | H33 | 1.5° | 0.0° |
| H33 | C34 | C35 | H34 | 1.6° | 0.0° |
