VRB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | C03 | sing | 1.51Å | 1.51Å | |
| C02 | C01 | sing | 1.53Å | 1.53Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| C02 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | C04 | doub | 1.33Å | 1.33Å | |
| C04 | C05 | sing | 1.51Å | 1.51Å | |
| C05 | H6 | sing | 1.09Å | 1.10Å | |
| C05 | H7 | sing | 1.09Å | 1.10Å | |
| C05 | H8 | sing | 1.09Å | 1.10Å | |
| C06 | C04 | sing | 1.47Å | 1.46Å | |
| C06 | O07 | doub | 1.22Å | 1.22Å | |
| N08 | C06 | sing | 1.35Å | 1.35Å | |
| N08 | H9 | sing | 0.97Å | 1.00Å | |
| C09 | N08 | sing | 1.47Å | 1.47Å | |
| C09 | C03 | sing | 1.51Å | 1.51Å | |
| C09 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | C09 | sing | 1.53Å | 1.53Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | N38 | sing | 1.36Å | 1.37Å | Aromatic |
| C11 | C10 | sing | 1.51Å | 1.51Å | |
| C12 | C11 | doub | 1.35Å | 1.37Å | Aromatic |
| C13 | C12 | sing | 1.51Å | 1.51Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | C12 | sing | 1.41Å | 1.40Å | Aromatic |
| C14 | C15 | doub | 1.35Å | 1.40Å | Aromatic |
| C15 | N38 | sing | 1.36Å | 1.38Å | Aromatic |
| C16 | C15 | sing | 1.51Å | 1.56Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | N26 | sing | 1.36Å | 1.34Å | Aromatic |
| C17 | C16 | sing | 1.51Å | 1.57Å | |
| C18 | C17 | doub | 1.36Å | 1.42Å | Aromatic |
| C19 | C18 | sing | 1.51Å | 1.51Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | C20 | sing | 1.51Å | 1.51Å | |
| O22 | C21 | sing | 1.34Å | 1.34Å | |
| O22 | H22 | sing | 0.97Å | 0.95Å | |
| O23 | C21 | doub | 1.21Å | 1.21Å | |
| C24 | C18 | sing | 1.40Å | 1.36Å | Aromatic |
| C24 | C25 | doub | 1.39Å | 1.42Å | Aromatic |
| C25 | C27 | sing | 1.41Å | 1.47Å | |
| C25 | N26 | sing | 1.38Å | 1.33Å | Aromatic |
| N26 | H23 | sing | 0.97Å | 1.00Å | |
| C28 | C33 | sing | 1.41Å | 1.41Å | |
| C28 | C27 | doub | 1.38Å | 1.38Å | |
| N29 | C28 | sing | 1.39Å | 1.40Å | |
| C30 | N29 | sing | 1.35Å | 1.35Å | |
| C30 | C32 | sing | 1.41Å | 1.41Å | |
| O31 | C30 | doub | 1.22Å | 1.22Å | |
| C32 | C33 | doub | 1.36Å | 1.35Å | |
| C33 | C34 | sing | 1.51Å | 1.50Å | |
| C34 | H26 | sing | 1.09Å | 1.10Å | |
| C34 | H27 | sing | 1.09Å | 1.10Å | |
| C34 | H28 | sing | 1.09Å | 1.10Å | |
| C35 | C32 | sing | 1.51Å | 1.50Å | |
| C35 | H29 | sing | 1.09Å | 1.10Å | |
| C35 | H30 | sing | 1.09Å | 1.10Å | |
| C36 | C35 | sing | 1.53Å | 1.52Å | |
| C36 | H31 | sing | 1.09Å | 1.10Å | |
| C36 | H32 | sing | 1.09Å | 1.10Å | |
| C36 | H33 | sing | 1.09Å | 1.10Å | |
| C37 | C24 | sing | 1.51Å | 1.51Å | |
| C37 | H34 | sing | 1.09Å | 1.10Å | |
| C37 | H35 | sing | 1.09Å | 1.10Å | |
| C37 | H36 | sing | 1.09Å | 1.10Å | |
| N38 | H37 | sing | 0.97Å | 1.00Å | |
| C39 | C40 | sing | 1.53Å | 1.53Å | |
| C39 | C14 | sing | 1.51Å | 1.51Å | |
| C39 | H38 | sing | 1.09Å | 1.10Å | |
| C39 | H39 | sing | 1.09Å | 1.10Å | |
| C40 | C41 | sing | 1.51Å | 1.50Å | |
| C40 | H40 | sing | 1.09Å | 1.10Å | |
| C40 | H41 | sing | 1.09Å | 1.10Å | |
| C41 | O42 | sing | 1.34Å | 1.21Å | |
| O42 | H42 | sing | 0.97Å | 0.95Å | |
| O43 | C41 | doub | 1.21Å | 1.34Å | |
| C27 | H24 | sing | 1.08Å | 1.08Å | |
| N29 | H421 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| H1 | C01 | H2 | 109.4° | 109.4° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H1 | C01 | C02 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.4° | 109.5° |
| H2 | C01 | C02 | 109.5° | 109.5° |
| H3 | C01 | C02 | 109.5° | 109.5° |
| C03 | C02 | C01 | 111.9° | 109.5° |
| C03 | C02 | H4 | 108.8° | 109.5° |
| C03 | C02 | H5 | 108.8° | 109.5° |
| C02 | C03 | C04 | 123.1° | 126.5° |
| C02 | C03 | C09 | 125.1° | 126.5° |
| C01 | C02 | H4 | 108.9° | 109.4° |
| C01 | C02 | H5 | 108.9° | 109.5° |
| H4 | C02 | H5 | 109.5° | 109.5° |
| C03 | C04 | C05 | 129.2° | 125.1° |
| C03 | C04 | C06 | 104.6° | 109.8° |
| C04 | C03 | C09 | 111.8° | 107.0° |
| C04 | C05 | H6 | 109.5° | 109.5° |
| C04 | C05 | H7 | 109.5° | 109.5° |
| C04 | C05 | H8 | 109.5° | 109.5° |
| C05 | C04 | C06 | 126.2° | 125.1° |
| H6 | C05 | H7 | 109.5° | 109.4° |
| H6 | C05 | H8 | 109.5° | 109.4° |
| H7 | C05 | H8 | 109.4° | 109.5° |
| C04 | C06 | O07 | 121.1° | 125.0° |
| C04 | C06 | N08 | 113.7° | 110.0° |
| O07 | C06 | N08 | 125.2° | 125.1° |
| C06 | N08 | H9 | 126.9° | 126.3° |
| C06 | N08 | C09 | 106.3° | 107.3° |
| H9 | N08 | C09 | 126.8° | 126.3° |
| N08 | C09 | C03 | 103.5° | 105.9° |
| N08 | C09 | H10 | 109.8° | 110.2° |
| N08 | C09 | C10 | 113.8° | 110.2° |
| C03 | C09 | H10 | 109.3° | 110.5° |
| C03 | C09 | C10 | 111.4° | 109.8° |
| H10 | C09 | C10 | 109.0° | 110.2° |
| C09 | C10 | H11 | 107.9° | 109.5° |
| C09 | C10 | H12 | 107.8° | 109.5° |
| C09 | C10 | C11 | 115.9° | 109.4° |
| H11 | C10 | H12 | 109.5° | 109.5° |
| H11 | C10 | C11 | 107.9° | 109.5° |
| H12 | C10 | C11 | 107.9° | 109.4° |
| N38 | C11 | C10 | 122.4° | 125.9° |
| N38 | C11 | C12 | 108.0° | 108.2° |
| C11 | N38 | C15 | 109.2° | 108.7° |
| C11 | N38 | H37 | 125.4° | 125.6° |
| C10 | C11 | C12 | 129.6° | 125.8° |
| C11 | C12 | C13 | 127.3° | 126.3° |
| C11 | C12 | C14 | 108.4° | 107.4° |
| C12 | C13 | H13 | 109.5° | 109.5° |
| C12 | C13 | H14 | 109.5° | 109.4° |
| C12 | C13 | H15 | 109.4° | 109.4° |
| C13 | C12 | C14 | 124.4° | 126.3° |
| H13 | C13 | H14 | 109.5° | 109.5° |
| H13 | C13 | H15 | 109.5° | 109.5° |
| H14 | C13 | H15 | 109.5° | 109.5° |
| C12 | C14 | C15 | 106.9° | 107.4° |
| C12 | C14 | C39 | 126.9° | 126.3° |
| C14 | C15 | N38 | 107.5° | 108.2° |
| C14 | C15 | C16 | 127.5° | 125.9° |
| C15 | C14 | C39 | 126.2° | 126.3° |
| N38 | C15 | C16 | 124.9° | 125.9° |
| C15 | N38 | H37 | 125.4° | 125.6° |
| C15 | C16 | H16 | 109.8° | 109.5° |
| C15 | C16 | H17 | 109.8° | 109.5° |
| C15 | C16 | C17 | 108.1° | 109.5° |
| H16 | C16 | H17 | 109.5° | 109.4° |
| H16 | C16 | C17 | 109.8° | 109.5° |
| H17 | C16 | C17 | 109.8° | 109.4° |
| N26 | C17 | C16 | 124.8° | 125.5° |
| N26 | C17 | C18 | 107.6° | 109.0° |
| C17 | N26 | C25 | 110.6° | 108.6° |
| C17 | N26 | H23 | 124.7° | 125.7° |
| C16 | C17 | C18 | 127.6° | 125.5° |
| C17 | C18 | C19 | 127.1° | 126.0° |
| C17 | C18 | C24 | 107.1° | 108.0° |
| C18 | C19 | C20 | 111.6° | 109.5° |
| C18 | C19 | H18 | 108.9° | 109.5° |
| C18 | C19 | H19 | 108.9° | 109.5° |
| C19 | C18 | C24 | 125.8° | 126.0° |
| C20 | C19 | H18 | 108.9° | 109.4° |
| C20 | C19 | H19 | 109.0° | 109.5° |
| C19 | C20 | H20 | 109.5° | 109.4° |
| C19 | C20 | H21 | 109.5° | 109.5° |
| C19 | C20 | C21 | 109.3° | 109.5° |
| H18 | C19 | H19 | 109.5° | 109.5° |
| H20 | C20 | H21 | 109.5° | 109.5° |
| H20 | C20 | C21 | 109.5° | 109.5° |
| H21 | C20 | C21 | 109.5° | 109.5° |
| C20 | C21 | O22 | 119.0° | 120.0° |
| C20 | C21 | O23 | 121.0° | 120.0° |
| C21 | O22 | H22 | 109.5° | 117.0° |
| O22 | C21 | O23 | 120.0° | 120.0° |
| C18 | C24 | C25 | 106.8° | 107.0° |
| C18 | C24 | C37 | 125.4° | 126.5° |
| C24 | C25 | C27 | 130.9° | 126.3° |
| C24 | C25 | N26 | 107.9° | 107.4° |
| C25 | C24 | C37 | 127.8° | 126.5° |
| C27 | C25 | N26 | 121.1° | 126.3° |
| C25 | C27 | C28 | 130.0° | 120.0° |
| C25 | C27 | H24 | 115.0° | 120.0° |
| C25 | N26 | H23 | 124.7° | 125.7° |
| C33 | C28 | C27 | 123.1° | 126.2° |
| C33 | C28 | N29 | 107.3° | 107.6° |
| C28 | C33 | C32 | 107.8° | 107.4° |
| C28 | C33 | C34 | 126.5° | 126.3° |
| C27 | C28 | N29 | 129.7° | 126.2° |
| C28 | C27 | H24 | 115.0° | 120.0° |
| C28 | N29 | C30 | 108.2° | 108.3° |
| C28 | N29 | H421 | 125.9° | 125.8° |
| N29 | C30 | C32 | 108.5° | 108.6° |
| N29 | C30 | O31 | 125.9° | 125.7° |
| C30 | N29 | H421 | 125.9° | 125.8° |
| C32 | C30 | O31 | 125.5° | 125.7° |
| C30 | C32 | C33 | 108.2° | 108.1° |
| C30 | C32 | C35 | 126.1° | 125.9° |
| C32 | C33 | C34 | 125.7° | 126.3° |
| C33 | C32 | C35 | 125.7° | 125.9° |
| C33 | C34 | H26 | 109.5° | 109.4° |
| C33 | C34 | H27 | 109.4° | 109.5° |
| C33 | C34 | H28 | 109.4° | 109.5° |
| H26 | C34 | H27 | 109.5° | 109.5° |
| H26 | C34 | H28 | 109.5° | 109.5° |
| H27 | C34 | H28 | 109.5° | 109.5° |
| C32 | C35 | H29 | 110.4° | 109.5° |
| C32 | C35 | H30 | 110.4° | 109.5° |
| C32 | C35 | C36 | 105.7° | 109.5° |
| H29 | C35 | H30 | 109.5° | 109.5° |
| H29 | C35 | C36 | 110.4° | 109.4° |
| H30 | C35 | C36 | 110.4° | 109.5° |
| C35 | C36 | H31 | 109.5° | 109.5° |
| C35 | C36 | H32 | 109.5° | 109.5° |
| C35 | C36 | H33 | 109.5° | 109.5° |
| H31 | C36 | H32 | 109.5° | 109.5° |
| H31 | C36 | H33 | 109.5° | 109.5° |
| H32 | C36 | H33 | 109.4° | 109.4° |
| C24 | C37 | H34 | 109.5° | 109.4° |
| C24 | C37 | H35 | 109.5° | 109.4° |
| C24 | C37 | H36 | 109.5° | 109.5° |
| H34 | C37 | H35 | 109.4° | 109.6° |
| H34 | C37 | H36 | 109.5° | 109.4° |
| H35 | C37 | H36 | 109.5° | 109.5° |
| C40 | C39 | C14 | 111.7° | 109.5° |
| C40 | C39 | H38 | 108.9° | 109.4° |
| C40 | C39 | H39 | 108.9° | 109.5° |
| C39 | C40 | C41 | 109.0° | 109.5° |
| C39 | C40 | H40 | 109.6° | 109.4° |
| C39 | C40 | H41 | 109.6° | 109.4° |
| C14 | C39 | H38 | 108.9° | 109.5° |
| C14 | C39 | H39 | 108.9° | 109.5° |
| H38 | C39 | H39 | 109.4° | 109.4° |
| C41 | C40 | H40 | 109.6° | 109.5° |
| C41 | C40 | H41 | 109.6° | 109.5° |
| C40 | C41 | O42 | 120.2° | 120.0° |
| C40 | C41 | O43 | 119.4° | 119.9° |
| H40 | C40 | H41 | 109.4° | 109.4° |
| C41 | O42 | H42 | 109.5° | 117.0° |
| O42 | C41 | O43 | 120.4° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H1 | C01 | H2 | C02 | 120.0° | 120.0° |
| H1 | C01 | H3 | C02 | 120.0° | 120.0° |
| H1 | C01 | C02 | C03 | 180.0° | 60.1° |
| H1 | C01 | C02 | H4 | 59.7° | 180.0° |
| H1 | C01 | C02 | H5 | 59.6° | 60.0° |
| H2 | C01 | H3 | C02 | 120.0° | 120.0° |
| H2 | C01 | C02 | C03 | 60.0° | 180.0° |
| H2 | C01 | C02 | H4 | 179.7° | 60.1° |
| H2 | C01 | C02 | H5 | 60.3° | 59.9° |
| H3 | C01 | C02 | C03 | 60.0° | 60.0° |
| H3 | C01 | C02 | H4 | 60.3° | 60.0° |
| H3 | C01 | C02 | H5 | 179.7° | 180.0° |
| C03 | C02 | C01 | H4 | 120.3° | 119.9° |
| C03 | C02 | C01 | H5 | 120.3° | 120.0° |
| C03 | C02 | H4 | H5 | 118.9° | 120.0° |
| C02 | C03 | C04 | C09 | 179.7° | 179.7° |
| C02 | C03 | C04 | C05 | 0.2° | 0.1° |
| C02 | C03 | C04 | C06 | 179.1° | 180.0° |
| C02 | C03 | C09 | N08 | 179.0° | 179.9° |
| C02 | C03 | C09 | H10 | 64.1° | 60.8° |
| C02 | C03 | C09 | C10 | 56.4° | 61.0° |
| C01 | C02 | H4 | H5 | 118.9° | 120.0° |
| C01 | C02 | C03 | C04 | 73.3° | 95.0° |
| C01 | C02 | C03 | C09 | 106.4° | 85.3° |
| H4 | C02 | C03 | C04 | 166.4° | 24.9° |
| H4 | C02 | C03 | C09 | 13.9° | 154.7° |
| H5 | C02 | C03 | C04 | 47.1° | 145.0° |
| H5 | C02 | C03 | C09 | 133.2° | 34.7° |
| C03 | C04 | C05 | C06 | 178.8° | 179.9° |
| C03 | C04 | C05 | H6 | 180.0° | 90.0° |
| C03 | C04 | C05 | H7 | 60.0° | 150.0° |
| C03 | C04 | C05 | H8 | 60.0° | 30.0° |
| C03 | C04 | C06 | O07 | 179.6° | 180.0° |
| C03 | C04 | C06 | N08 | 0.2° | 0.0° |
| C04 | C03 | C09 | N08 | 0.7° | 0.4° |
| C04 | C03 | C09 | H10 | 116.2° | 118.9° |
| C04 | C03 | C09 | C10 | 123.3° | 119.3° |
| C04 | C05 | H6 | H7 | 120.0° | 120.0° |
| C04 | C05 | H6 | H8 | 120.0° | 120.0° |
| C04 | C05 | H7 | H8 | 120.0° | 120.1° |
| C05 | C04 | C06 | O07 | 1.3° | 0.1° |
| C05 | C04 | C06 | N08 | 179.2° | 180.0° |
| C05 | C04 | C03 | C09 | 179.5° | 179.8° |
| H6 | C05 | H7 | H8 | 120.0° | 119.9° |
| H6 | C05 | C04 | C06 | 1.2° | 90.0° |
| H7 | C05 | C04 | C06 | 118.8° | 29.9° |
| H8 | C05 | C04 | C06 | 121.3° | 150.0° |
| C04 | C06 | O07 | N08 | 179.4° | 179.9° |
| C04 | C06 | N08 | H9 | 179.7° | 180.0° |
| C04 | C06 | N08 | C09 | 0.3° | 0.2° |
| C06 | C04 | C03 | C09 | 0.6° | 0.3° |
| O07 | C06 | N08 | H9 | 0.9° | 0.0° |
| O07 | C06 | N08 | C09 | 179.2° | 179.7° |
| C06 | N08 | H9 | C09 | 180.0° | 179.7° |
| C06 | N08 | C09 | C03 | 0.6° | 0.4° |
| C06 | N08 | C09 | H10 | 116.0° | 119.1° |
| C06 | N08 | C09 | C10 | 121.5° | 119.1° |
| H9 | N08 | C09 | C03 | 179.4° | 179.9° |
| H9 | N08 | C09 | H10 | 64.0° | 60.6° |
| H9 | N08 | C09 | C10 | 58.4° | 61.2° |
| N08 | C09 | C03 | H10 | 116.9° | 119.3° |
| N08 | C09 | C03 | C10 | 122.6° | 118.9° |
| N08 | C09 | H10 | C10 | 125.3° | 121.8° |
| N08 | C09 | C10 | H11 | 164.7° | 173.6° |
| N08 | C09 | C10 | H12 | 77.2° | 53.5° |
| N08 | C09 | C10 | C11 | 43.8° | 66.4° |
| C03 | C09 | H10 | C10 | 121.9° | 121.6° |
| C03 | C09 | C10 | H11 | 78.8° | 57.3° |
| C03 | C09 | C10 | H12 | 39.3° | 62.7° |
| C03 | C09 | C10 | C11 | 160.2° | 177.4° |
| H10 | C09 | C10 | H11 | 41.8° | 64.6° |
| H10 | C09 | C10 | H12 | 159.9° | 175.3° |
| H10 | C09 | C10 | C11 | 79.1° | 55.4° |
| C09 | C10 | H11 | H12 | 117.1° | 120.0° |
| C09 | C10 | H11 | C11 | 125.8° | 120.0° |
| C09 | C10 | H12 | C11 | 125.8° | 119.9° |
| C09 | C10 | C11 | N38 | 134.4° | 95.0° |
| C09 | C10 | C11 | C12 | 47.2° | 85.3° |
| H11 | C10 | H12 | C11 | 117.1° | 120.0° |
| H11 | C10 | C11 | N38 | 104.7° | 145.0° |
| H11 | C10 | C11 | C12 | 73.8° | 34.7° |
| H12 | C10 | C11 | N38 | 13.5° | 24.9° |
| H12 | C10 | C11 | C12 | 168.1° | 154.7° |
| N38 | C11 | C10 | C12 | 178.4° | 179.7° |
| N38 | C11 | C12 | C13 | 179.8° | 180.0° |
| N38 | C11 | C12 | C14 | 0.9° | 0.0° |
| C11 | N38 | C15 | C14 | 0.5° | 0.0° |
| C11 | N38 | C15 | H37 | 180.0° | 179.7° |
| C11 | N38 | C15 | C16 | 179.9° | 180.0° |
| C10 | C11 | C12 | C13 | 1.2° | 0.3° |
| C10 | C11 | C12 | C14 | 179.5° | 179.7° |
| C10 | C11 | N38 | C15 | 179.6° | 179.7° |
| C10 | C11 | N38 | H37 | 0.4° | 0.0° |
| C11 | C12 | C13 | C14 | 179.2° | 180.0° |
| C11 | C12 | C13 | H13 | 90.4° | 90.0° |
| C11 | C12 | C13 | H14 | 149.6° | 150.0° |
| C11 | C12 | C13 | H15 | 29.6° | 30.0° |
| C11 | C12 | C14 | C15 | 0.5° | 0.0° |
| C12 | C11 | N38 | C15 | 0.9° | 0.0° |
| C12 | C11 | N38 | H37 | 179.1° | 179.7° |
| C11 | C12 | C14 | C39 | 180.0° | 180.0° |
| C12 | C13 | H13 | H14 | 120.0° | 120.0° |
| C12 | C13 | H13 | H15 | 120.0° | 120.0° |
| C12 | C13 | H14 | H15 | 120.0° | 120.0° |
| C13 | C12 | C14 | C15 | 179.9° | 180.0° |
| C13 | C12 | C14 | C39 | 0.6° | 0.0° |
| H13 | C13 | H14 | H15 | 120.0° | 120.1° |
| H13 | C13 | C12 | C14 | 90.4° | 90.0° |
| H14 | C13 | C12 | C14 | 29.6° | 30.0° |
| H15 | C13 | C12 | C14 | 149.6° | 150.0° |
| C12 | C14 | C15 | C39 | 179.5° | 180.0° |
| C12 | C14 | C15 | N38 | 0.0° | 0.0° |
| C12 | C14 | C15 | C16 | 179.6° | 180.0° |
| C12 | C14 | C39 | C40 | 73.1° | 90.0° |
| C12 | C14 | C39 | H38 | 166.5° | 150.0° |
| C12 | C14 | C39 | H39 | 47.2° | 30.0° |
| C14 | C15 | N38 | C16 | 179.6° | 179.9° |
| C14 | C15 | C16 | H16 | 129.9° | 155.0° |
| C14 | C15 | C16 | H17 | 9.5° | 35.0° |
| C14 | C15 | C16 | C17 | 110.3° | 85.0° |
| C14 | C15 | N38 | H37 | 179.5° | 179.7° |
| C15 | C14 | C39 | C40 | 107.5° | 90.0° |
| C15 | C14 | C39 | H38 | 12.9° | 30.0° |
| C15 | C14 | C39 | H39 | 132.2° | 150.0° |
| N38 | C15 | C16 | H16 | 50.6° | 25.1° |
| N38 | C15 | C16 | H17 | 171.1° | 145.0° |
| N38 | C15 | C16 | C17 | 69.2° | 95.0° |
| N38 | C15 | C14 | C39 | 179.5° | 180.0° |
| C15 | C16 | H16 | H17 | 120.6° | 120.0° |
| C15 | C16 | H16 | C17 | 118.8° | 120.1° |
| C15 | C16 | H17 | C17 | 118.8° | 120.0° |
| C15 | C16 | C17 | N26 | 54.5° | 95.0° |
| C15 | C16 | C17 | C18 | 126.1° | 85.3° |
| C16 | C15 | N38 | H37 | 0.1° | 0.3° |
| C16 | C15 | C14 | C39 | 0.1° | 0.1° |
| H16 | C16 | H17 | C17 | 120.6° | 120.0° |
| H16 | C16 | C17 | N26 | 65.3° | 144.9° |
| H16 | C16 | C17 | C18 | 114.1° | 34.8° |
| H17 | C16 | C17 | N26 | 174.3° | 25.0° |
| H17 | C16 | C17 | C18 | 6.3° | 154.7° |
| N26 | C17 | C16 | C18 | 179.4° | 179.7° |
| N26 | C17 | C18 | C19 | 179.3° | 180.0° |
| N26 | C17 | C18 | C24 | 0.1° | 0.0° |
| C17 | N26 | C25 | C24 | 0.6° | 0.0° |
| C17 | N26 | C25 | C27 | 178.8° | 180.0° |
| C17 | N26 | C25 | H23 | 180.0° | 179.7° |
| C16 | C17 | C18 | C19 | 1.2° | 0.2° |
| C16 | C17 | C18 | C24 | 179.6° | 179.7° |
| C16 | C17 | N26 | C25 | 180.0° | 179.8° |
| C16 | C17 | N26 | H23 | 0.0° | 0.1° |
| C17 | C18 | C19 | C24 | 179.1° | 179.9° |
| C17 | C18 | C19 | C20 | 74.3° | 90.0° |
| C17 | C18 | C19 | H18 | 46.0° | 150.0° |
| C17 | C18 | C19 | H19 | 165.4° | 30.0° |
| C17 | C18 | C24 | C25 | 0.2° | 0.0° |
| C18 | C17 | N26 | C25 | 0.5° | 0.0° |
| C18 | C17 | N26 | H23 | 179.5° | 179.7° |
| C17 | C18 | C24 | C37 | 179.8° | 180.0° |
| C18 | C19 | C20 | H18 | 120.3° | 120.0° |
| C18 | C19 | C20 | H19 | 120.3° | 120.0° |
| C18 | C19 | H18 | H19 | 119.0° | 120.0° |
| C18 | C19 | C20 | H20 | 55.8° | 60.0° |
| C18 | C19 | C20 | H21 | 64.3° | 60.0° |
| C18 | C19 | C20 | C21 | 175.7° | 180.0° |
| C19 | C18 | C24 | C25 | 179.0° | 180.0° |
| C19 | C18 | C24 | C37 | 0.6° | 0.1° |
| C20 | C19 | H18 | H19 | 119.0° | 120.0° |
| C19 | C20 | H20 | H21 | 120.1° | 120.0° |
| C19 | C20 | H20 | C21 | 119.8° | 120.0° |
| C19 | C20 | H21 | C21 | 119.8° | 120.0° |
| C19 | C20 | C21 | O22 | 133.0° | 180.0° |
| C19 | C20 | C21 | O23 | 47.1° | 0.0° |
| C20 | C19 | C18 | C24 | 106.7° | 89.9° |
| H18 | C19 | C20 | H20 | 176.1° | 180.0° |
| H18 | C19 | C20 | H21 | 56.0° | 60.0° |
| H18 | C19 | C20 | C21 | 64.0° | 60.0° |
| H18 | C19 | C18 | C24 | 133.0° | 30.0° |
| H19 | C19 | C20 | H20 | 64.6° | 60.0° |
| H19 | C19 | C20 | H21 | 175.4° | 180.0° |
| H19 | C19 | C20 | C21 | 55.4° | 60.0° |
| H19 | C19 | C18 | C24 | 13.7° | 150.1° |
| H20 | C20 | H21 | C21 | 120.1° | 120.0° |
| H20 | C20 | C21 | O22 | 13.1° | 60.0° |
| H20 | C20 | C21 | O23 | 167.1° | 120.0° |
| H21 | C20 | C21 | O22 | 107.0° | 60.0° |
| H21 | C20 | C21 | O23 | 72.8° | 120.0° |
| C20 | C21 | O22 | O23 | 179.8° | 180.0° |
| C20 | C21 | O22 | H22 | 179.8° | 180.0° |
| H22 | O22 | C21 | O23 | 0.0° | 0.0° |
| C18 | C24 | C25 | C37 | 179.6° | 180.0° |
| C18 | C24 | C25 | C27 | 178.5° | 180.0° |
| C18 | C24 | C25 | N26 | 0.5° | 0.0° |
| C18 | C24 | C37 | H34 | 89.8° | 90.0° |
| C18 | C24 | C37 | H35 | 150.2° | 150.0° |
| C18 | C24 | C37 | H36 | 30.2° | 30.0° |
| C24 | C25 | C27 | N26 | 177.8° | 180.0° |
| C24 | C25 | N26 | H23 | 179.4° | 179.7° |
| C24 | C25 | C27 | C28 | 19.3° | 162.7° |
| C25 | C24 | C37 | H34 | 89.8° | 90.1° |
| C25 | C24 | C37 | H35 | 30.2° | 30.0° |
| C25 | C24 | C37 | H36 | 150.2° | 150.0° |
| C24 | C25 | C27 | H24 | 160.7° | 17.3° |
| C27 | C25 | N26 | H23 | 1.2° | 0.3° |
| C25 | C27 | C28 | C33 | 154.9° | 172.6° |
| C25 | C27 | C28 | H24 | 180.0° | 180.0° |
| C25 | C27 | C28 | N29 | 26.7° | 7.0° |
| C27 | C25 | C24 | C37 | 1.9° | 0.0° |
| N26 | C25 | C27 | C28 | 162.9° | 17.3° |
| N26 | C25 | C24 | C37 | 179.9° | 180.0° |
| N26 | C25 | C27 | H24 | 17.1° | 162.7° |
| C33 | C28 | C27 | N29 | 178.3° | 179.7° |
| C33 | C28 | N29 | C30 | 0.5° | 0.0° |
| C28 | C33 | C32 | C30 | 0.8° | 0.0° |
| C28 | C33 | C32 | C34 | 179.5° | 179.7° |
| C28 | C33 | C34 | H26 | 180.0° | 0.0° |
| C28 | C33 | C34 | H27 | 60.0° | 120.0° |
| C28 | C33 | C34 | H28 | 60.0° | 119.9° |
| C28 | C33 | C32 | C35 | 179.5° | 180.0° |
| C33 | C28 | C27 | H24 | 25.1° | 7.4° |
| C33 | C28 | N29 | H421 | 179.5° | 179.9° |
| C27 | C28 | N29 | C30 | 179.0° | 179.7° |
| C27 | C28 | C33 | C32 | 179.5° | 179.7° |
| C27 | C28 | C33 | C34 | 1.0° | 0.0° |
| C27 | C28 | N29 | H421 | 0.9° | 0.4° |
| C28 | N29 | C30 | H421 | 180.0° | 179.9° |
| C28 | N29 | C30 | C32 | 0.0° | 0.0° |
| C28 | N29 | C30 | O31 | 179.7° | 180.0° |
| N29 | C28 | C33 | C32 | 0.8° | 0.0° |
| N29 | C28 | C33 | C34 | 179.7° | 179.7° |
| N29 | C28 | C27 | H24 | 153.3° | 173.0° |
| N29 | C30 | C32 | O31 | 179.7° | 180.0° |
| N29 | C30 | C32 | C33 | 0.5° | 0.0° |
| N29 | C30 | C32 | C35 | 179.2° | 180.0° |
| C30 | C32 | C33 | C35 | 178.7° | 180.0° |
| C30 | C32 | C33 | C34 | 179.7° | 179.8° |
| C30 | C32 | C35 | H29 | 153.9° | 35.0° |
| C30 | C32 | C35 | H30 | 32.7° | 155.0° |
| C30 | C32 | C35 | C36 | 86.8° | 85.0° |
| C32 | C30 | N29 | H421 | 179.9° | 180.0° |
| O31 | C30 | C32 | C33 | 179.8° | 180.0° |
| O31 | C30 | C32 | C35 | 1.1° | 0.0° |
| O31 | C30 | N29 | H421 | 0.3° | 0.1° |
| C32 | C33 | C34 | H26 | 0.6° | 179.7° |
| C32 | C33 | C34 | H27 | 120.6° | 60.3° |
| C32 | C33 | C34 | H28 | 119.4° | 59.7° |
| C33 | C32 | C35 | H29 | 27.7° | 145.0° |
| C33 | C32 | C35 | H30 | 148.9° | 25.0° |
| C33 | C32 | C35 | C36 | 91.7° | 95.0° |
| C33 | C34 | H26 | H27 | 120.0° | 120.0° |
| C33 | C34 | H26 | H28 | 120.0° | 120.0° |
| C33 | C34 | H27 | H28 | 119.9° | 120.0° |
| C34 | C33 | C32 | C35 | 1.0° | 0.3° |
| H26 | C34 | H27 | H28 | 120.0° | 120.0° |
| C32 | C35 | H29 | H30 | 121.7° | 120.0° |
| C32 | C35 | H29 | C36 | 116.5° | 120.0° |
| C32 | C35 | H30 | C36 | 116.5° | 120.0° |
| C32 | C35 | C36 | H31 | 180.0° | 60.0° |
| C32 | C35 | C36 | H32 | 60.0° | 60.0° |
| C32 | C35 | C36 | H33 | 60.0° | 180.0° |
| H29 | C35 | H30 | C36 | 121.7° | 120.0° |
| H29 | C35 | C36 | H31 | 60.6° | 180.0° |
| H29 | C35 | C36 | H32 | 179.4° | 60.0° |
| H29 | C35 | C36 | H33 | 59.4° | 60.0° |
| H30 | C35 | C36 | H31 | 60.6° | 60.0° |
| H30 | C35 | C36 | H32 | 59.4° | 180.0° |
| H30 | C35 | C36 | H33 | 179.4° | 60.0° |
| C35 | C36 | H31 | H32 | 120.0° | 120.0° |
| C35 | C36 | H31 | H33 | 120.0° | 120.0° |
| C35 | C36 | H32 | H33 | 120.0° | 120.0° |
| H31 | C36 | H32 | H33 | 120.0° | 120.0° |
| C24 | C37 | H34 | H35 | 120.0° | 120.0° |
| C24 | C37 | H34 | H36 | 120.0° | 120.0° |
| C24 | C37 | H35 | H36 | 120.0° | 120.0° |
| H34 | C37 | H35 | H36 | 120.0° | 120.0° |
| C40 | C39 | C14 | H38 | 120.4° | 120.0° |
| C40 | C39 | C14 | H39 | 120.4° | 120.0° |
| C40 | C39 | H38 | H39 | 119.0° | 119.9° |
| C39 | C40 | C41 | H40 | 119.9° | 120.0° |
| C39 | C40 | C41 | H41 | 119.9° | 120.0° |
| C39 | C40 | H40 | H41 | 120.2° | 119.9° |
| C39 | C40 | C41 | O42 | 108.5° | 180.0° |
| C39 | C40 | C41 | O43 | 71.2° | 0.0° |
| C14 | C39 | H38 | H39 | 119.0° | 120.0° |
| C14 | C39 | C40 | C41 | 83.5° | 180.0° |
| C14 | C39 | C40 | H40 | 36.4° | 60.0° |
| C14 | C39 | C40 | H41 | 156.5° | 60.0° |
| H38 | C39 | C40 | C41 | 36.8° | 60.0° |
| H38 | C39 | C40 | H40 | 156.8° | 180.0° |
| H38 | C39 | C40 | H41 | 83.1° | 60.1° |
| H39 | C39 | C40 | C41 | 156.1° | 60.0° |
| H39 | C39 | C40 | H40 | 83.9° | 60.1° |
| H39 | C39 | C40 | H41 | 36.2° | 180.0° |
| C41 | C40 | H40 | H41 | 120.3° | 120.0° |
| C40 | C41 | O42 | O43 | 179.7° | 180.0° |
| C40 | C41 | O42 | H42 | 179.7° | 180.0° |
| H40 | C40 | C41 | O42 | 11.4° | 60.0° |
| H40 | C40 | C41 | O43 | 168.9° | 120.0° |
| H41 | C40 | C41 | O42 | 131.5° | 60.0° |
| H41 | C40 | C41 | O43 | 48.8° | 120.0° |
| H42 | O42 | C41 | O43 | 0.0° | 0.1° |
