GC0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N36 | C35 | sing | 1.35Å | 1.50Å | |
| O37 | C35 | doub | 1.22Å | 1.18Å | |
| C35 | C34 | sing | 1.48Å | 1.58Å | |
| C34 | C38 | doub | 1.39Å | 1.38Å | Aromatic |
| C34 | C33 | sing | 1.40Å | 1.41Å | Aromatic |
| C38 | C39 | sing | 1.39Å | 1.43Å | Aromatic |
| C33 | C30 | doub | 1.38Å | 1.41Å | Aromatic |
| C39 | N40 | sing | 1.36Å | 1.38Å | Aromatic |
| C39 | C29 | doub | 1.41Å | 1.37Å | Aromatic |
| C50 | C51 | sing | 1.53Å | 1.56Å | |
| C50 | N49 | sing | 1.46Å | 1.50Å | |
| N40 | C41 | doub | 1.31Å | 1.33Å | Aromatic |
| C32 | O31 | sing | 1.43Å | 1.39Å | |
| C30 | C29 | sing | 1.39Å | 1.43Å | Aromatic |
| C30 | O31 | sing | 1.36Å | 1.40Å | |
| C29 | N28 | sing | 1.38Å | 1.38Å | Aromatic |
| C41 | N28 | sing | 1.36Å | 1.37Å | Aromatic |
| C41 | N42 | sing | 1.38Å | 1.49Å | |
| O52 | C43 | doub | 1.22Å | 1.18Å | |
| N49 | N48 | sing | 1.28Å | 1.36Å | Aromatic |
| N49 | C44 | sing | 1.37Å | 1.35Å | Aromatic |
| N28 | C27 | sing | 1.47Å | 1.52Å | |
| C43 | N42 | sing | 1.35Å | 1.48Å | |
| C43 | C44 | sing | 1.47Å | 1.50Å | |
| N48 | C46 | doub | 1.31Å | 1.35Å | Aromatic |
| C44 | C45 | doub | 1.38Å | 1.37Å | Aromatic |
| C27 | C26 | sing | 1.53Å | 1.61Å | |
| C46 | C45 | sing | 1.40Å | 1.40Å | Aromatic |
| C46 | C47 | sing | 1.51Å | 1.55Å | |
| C26 | C25 | sing | 1.53Å | 1.57Å | |
| C25 | C24 | sing | 1.53Å | 1.54Å | |
| C06 | C05 | sing | 1.51Å | 1.51Å | |
| C05 | C04 | sing | 1.40Å | 1.40Å | Aromatic |
| C05 | N07 | doub | 1.31Å | 1.36Å | Aromatic |
| C04 | C03 | doub | 1.38Å | 1.37Å | Aromatic |
| C10 | C09 | sing | 1.53Å | 1.53Å | |
| N07 | N08 | sing | 1.28Å | 1.35Å | Aromatic |
| N11 | C02 | sing | 1.35Å | 1.44Å | |
| N11 | C12 | sing | 1.38Å | 1.49Å | |
| C24 | N23 | sing | 1.47Å | 1.49Å | |
| C24 | C53 | sing | 1.53Å | 1.54Å | |
| C03 | N08 | sing | 1.37Å | 1.34Å | Aromatic |
| C03 | C02 | sing | 1.47Å | 1.57Å | |
| N08 | C09 | sing | 1.46Å | 1.46Å | |
| C02 | O01 | doub | 1.22Å | 1.17Å | |
| C12 | N23 | sing | 1.34Å | 1.45Å | Aromatic |
| C12 | N13 | doub | 1.32Å | 1.35Å | Aromatic |
| N23 | C22 | sing | 1.39Å | 1.33Å | Aromatic |
| C53 | O54 | sing | 1.43Å | 1.44Å | |
| O54 | C21 | sing | 1.36Å | 1.43Å | |
| N13 | C14 | sing | 1.36Å | 1.43Å | Aromatic |
| C22 | C21 | doub | 1.40Å | 1.37Å | Aromatic |
| C22 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.37Å | 1.46Å | Aromatic |
| C14 | C15 | doub | 1.40Å | 1.45Å | Aromatic |
| C20 | C16 | doub | 1.41Å | 1.43Å | Aromatic |
| C15 | C16 | sing | 1.40Å | 1.42Å | Aromatic |
| C16 | C17 | sing | 1.48Å | 1.55Å | |
| C17 | O19 | doub | 1.22Å | 1.18Å | |
| C17 | N18 | sing | 1.35Å | 1.48Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.08Å | 1.08Å | |
| C20 | H5 | sing | 1.08Å | 1.08Å | |
| C24 | H6 | sing | 1.09Å | 1.10Å | |
| C04 | H7 | sing | 1.08Å | 1.08Å | |
| C06 | H8 | sing | 1.09Å | 1.10Å | |
| C06 | H9 | sing | 1.09Å | 1.10Å | |
| C06 | H10 | sing | 1.09Å | 1.10Å | |
| C32 | H11 | sing | 1.09Å | 1.10Å | |
| C32 | H12 | sing | 1.09Å | 1.10Å | |
| C32 | H13 | sing | 1.09Å | 1.10Å | |
| C33 | H14 | sing | 1.08Å | 1.08Å | |
| C09 | H15 | sing | 1.09Å | 1.10Å | |
| C09 | H16 | sing | 1.09Å | 1.10Å | |
| C25 | H17 | sing | 1.09Å | 1.10Å | |
| C25 | H18 | sing | 1.09Å | 1.10Å | |
| C26 | H19 | sing | 1.09Å | 1.10Å | |
| C26 | H20 | sing | 1.09Å | 1.10Å | |
| C27 | H21 | sing | 1.09Å | 1.10Å | |
| C27 | H22 | sing | 1.09Å | 1.10Å | |
| C38 | H23 | sing | 1.08Å | 1.08Å | |
| C45 | H24 | sing | 1.08Å | 1.08Å | |
| C47 | H25 | sing | 1.09Å | 1.10Å | |
| C47 | H26 | sing | 1.09Å | 1.10Å | |
| C47 | H27 | sing | 1.09Å | 1.10Å | |
| C50 | H28 | sing | 1.09Å | 1.10Å | |
| C50 | H29 | sing | 1.09Å | 1.10Å | |
| C51 | H30 | sing | 1.09Å | 1.10Å | |
| C51 | H31 | sing | 1.09Å | 1.10Å | |
| C51 | H32 | sing | 1.09Å | 1.10Å | |
| C53 | H33 | sing | 1.09Å | 1.10Å | |
| C53 | H34 | sing | 1.09Å | 1.10Å | |
| N11 | H35 | sing | 0.97Å | 1.00Å | |
| N18 | H36 | sing | 0.97Å | 1.00Å | |
| N18 | H37 | sing | 0.97Å | 1.00Å | |
| N36 | H38 | sing | 0.97Å | 1.00Å | |
| N36 | H39 | sing | 0.97Å | 1.00Å | |
| N42 | H40 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N36 | C35 | O37 | 119.7° | 120.0° |
| N36 | C35 | C34 | 119.5° | 120.0° |
| C35 | N36 | H38 | 120.0° | 120.0° |
| C35 | N36 | H39 | 120.0° | 120.0° |
| O37 | C35 | C34 | 120.8° | 120.0° |
| C35 | C34 | C38 | 117.3° | 119.9° |
| C35 | C34 | C33 | 123.4° | 119.9° |
| C38 | C34 | C33 | 119.3° | 120.2° |
| C34 | C38 | C39 | 120.1° | 119.8° |
| C34 | C38 | H23 | 119.9° | 120.1° |
| C34 | C33 | C30 | 120.3° | 120.2° |
| C34 | C33 | H14 | 119.8° | 119.9° |
| C38 | C39 | N40 | 130.4° | 133.3° |
| C38 | C39 | C29 | 121.8° | 119.6° |
| C39 | C38 | H23 | 120.0° | 120.1° |
| C33 | C30 | C29 | 120.1° | 120.0° |
| C33 | C30 | O31 | 120.1° | 120.0° |
| C30 | C33 | H14 | 119.8° | 119.9° |
| N40 | C39 | C29 | 107.8° | 107.1° |
| C39 | N40 | C41 | 108.1° | 109.5° |
| C39 | C29 | C30 | 118.3° | 120.2° |
| C39 | C29 | N28 | 107.5° | 106.1° |
| C51 | C50 | N49 | 109.7° | 109.5° |
| C51 | C50 | H28 | 109.4° | 109.4° |
| C51 | C50 | H29 | 109.4° | 109.4° |
| C50 | C51 | H30 | 109.5° | 109.5° |
| C50 | C51 | H31 | 109.5° | 109.5° |
| C50 | C51 | H32 | 109.5° | 109.5° |
| C50 | N49 | N48 | 122.7° | 125.2° |
| C50 | N49 | C44 | 126.9° | 125.2° |
| N49 | C50 | H28 | 109.4° | 109.6° |
| N49 | C50 | H29 | 109.4° | 109.5° |
| N40 | C41 | N28 | 109.7° | 109.9° |
| N40 | C41 | N42 | 123.5° | 125.0° |
| C32 | O31 | C30 | 113.3° | 117.0° |
| O31 | C32 | H11 | 109.5° | 109.5° |
| O31 | C32 | H12 | 109.5° | 109.4° |
| O31 | C32 | H13 | 109.5° | 109.4° |
| C29 | C30 | O31 | 119.7° | 120.0° |
| C30 | C29 | N28 | 134.2° | 133.7° |
| C29 | N28 | C41 | 106.9° | 107.3° |
| C29 | N28 | C27 | 129.2° | 126.3° |
| N28 | C41 | N42 | 126.6° | 125.0° |
| C41 | N28 | C27 | 123.9° | 126.4° |
| C41 | N42 | C43 | 121.6° | 120.0° |
| C41 | N42 | H40 | 119.2° | 120.0° |
| O52 | C43 | N42 | 121.2° | 120.1° |
| O52 | C43 | C44 | 121.9° | 120.0° |
| N48 | N49 | C44 | 110.4° | 109.6° |
| N49 | N48 | C46 | 106.9° | 111.0° |
| N49 | C44 | C43 | 122.8° | 126.9° |
| N49 | C44 | C45 | 107.2° | 106.2° |
| N28 | C27 | C26 | 112.5° | 109.5° |
| N28 | C27 | H21 | 108.7° | 109.5° |
| N28 | C27 | H22 | 108.7° | 109.4° |
| N42 | C43 | C44 | 116.9° | 120.0° |
| C43 | N42 | H40 | 119.2° | 120.0° |
| C43 | C44 | C45 | 129.9° | 126.9° |
| N48 | C46 | C45 | 108.4° | 107.8° |
| N48 | C46 | C47 | 124.1° | 126.1° |
| C44 | C45 | C46 | 107.1° | 105.3° |
| C44 | C45 | H24 | 126.5° | 127.3° |
| C27 | C26 | C25 | 112.5° | 109.5° |
| C27 | C26 | H19 | 108.7° | 109.4° |
| C27 | C26 | H20 | 108.7° | 109.4° |
| C26 | C27 | H21 | 108.7° | 109.5° |
| C26 | C27 | H22 | 108.7° | 109.4° |
| C45 | C46 | C47 | 127.5° | 126.1° |
| C46 | C45 | H24 | 126.5° | 127.3° |
| C46 | C47 | H25 | 109.5° | 109.4° |
| C46 | C47 | H26 | 109.4° | 109.5° |
| C46 | C47 | H27 | 109.5° | 109.4° |
| C26 | C25 | C24 | 119.5° | 109.5° |
| C26 | C25 | H17 | 106.9° | 109.5° |
| C26 | C25 | H18 | 106.9° | 109.5° |
| C25 | C26 | H19 | 108.7° | 109.5° |
| C25 | C26 | H20 | 108.7° | 109.5° |
| C25 | C24 | N23 | 103.3° | 109.8° |
| C25 | C24 | C53 | 110.0° | 109.3° |
| C25 | C24 | H6 | 110.7° | 109.8° |
| C24 | C25 | H17 | 106.9° | 109.5° |
| C24 | C25 | H18 | 106.9° | 109.4° |
| C06 | C05 | C04 | 126.2° | 126.1° |
| C06 | C05 | N07 | 125.7° | 126.1° |
| C05 | C06 | H8 | 109.5° | 109.5° |
| C05 | C06 | H9 | 109.5° | 109.5° |
| C05 | C06 | H10 | 109.5° | 109.4° |
| C04 | C05 | N07 | 108.1° | 107.8° |
| C05 | C04 | C03 | 106.6° | 105.4° |
| C05 | C04 | H7 | 126.7° | 127.3° |
| C05 | N07 | N08 | 107.0° | 110.9° |
| C04 | C03 | N08 | 108.1° | 106.3° |
| C04 | C03 | C02 | 126.6° | 126.9° |
| C03 | C04 | H7 | 126.7° | 127.4° |
| C10 | C09 | N08 | 110.1° | 109.5° |
| C09 | C10 | H1 | 109.5° | 109.5° |
| C09 | C10 | H2 | 109.5° | 109.5° |
| C09 | C10 | H3 | 109.5° | 109.5° |
| C10 | C09 | H15 | 109.3° | 109.5° |
| C10 | C09 | H16 | 109.3° | 109.5° |
| N07 | N08 | C03 | 110.2° | 109.6° |
| N07 | N08 | C09 | 124.7° | 125.2° |
| C02 | N11 | C12 | 113.9° | 120.0° |
| N11 | C02 | C03 | 121.9° | 120.0° |
| N11 | C02 | O01 | 118.4° | 120.0° |
| C02 | N11 | H35 | 123.1° | 120.0° |
| N11 | C12 | N23 | 122.1° | 124.9° |
| N11 | C12 | N13 | 128.2° | 125.0° |
| C12 | N11 | H35 | 123.1° | 120.1° |
| N23 | C24 | C53 | 110.6° | 108.1° |
| C24 | N23 | C12 | 135.6° | 136.2° |
| C24 | N23 | C22 | 117.6° | 117.8° |
| N23 | C24 | H6 | 111.3° | 109.8° |
| C24 | C53 | O54 | 113.7° | 113.4° |
| C53 | C24 | H6 | 110.7° | 110.1° |
| C24 | C53 | H33 | 108.4° | 108.8° |
| C24 | C53 | H34 | 108.4° | 108.8° |
| N08 | C03 | C02 | 125.3° | 126.9° |
| C03 | N08 | C09 | 125.1° | 125.2° |
| C03 | C02 | O01 | 119.7° | 120.0° |
| N08 | C09 | H15 | 109.3° | 109.5° |
| N08 | C09 | H16 | 109.3° | 109.5° |
| N23 | C12 | N13 | 109.6° | 110.1° |
| C12 | N23 | C22 | 106.7° | 106.1° |
| C12 | N13 | C14 | 105.5° | 110.1° |
| N23 | C22 | C21 | 125.7° | 127.0° |
| N23 | C22 | C14 | 109.9° | 108.2° |
| C53 | O54 | C21 | 112.5° | 116.8° |
| O54 | C53 | H33 | 108.4° | 108.1° |
| O54 | C53 | H34 | 108.4° | 109.0° |
| O54 | C21 | C22 | 120.3° | 114.4° |
| O54 | C21 | C20 | 122.1° | 127.7° |
| N13 | C14 | C22 | 108.2° | 105.5° |
| N13 | C14 | C15 | 132.0° | 137.7° |
| C21 | C22 | C14 | 124.4° | 124.8° |
| C22 | C21 | C20 | 117.7° | 117.9° |
| C22 | C14 | C15 | 119.8° | 116.8° |
| C21 | C20 | C16 | 119.2° | 119.1° |
| C21 | C20 | H5 | 120.4° | 120.4° |
| C14 | C15 | C16 | 117.7° | 119.4° |
| C14 | C15 | H4 | 121.1° | 120.3° |
| C20 | C16 | C15 | 121.2° | 122.1° |
| C20 | C16 | C17 | 120.7° | 119.0° |
| C16 | C20 | H5 | 120.4° | 120.5° |
| C15 | C16 | C17 | 118.1° | 119.0° |
| C16 | C15 | H4 | 121.1° | 120.3° |
| C16 | C17 | O19 | 120.5° | 120.0° |
| C16 | C17 | N18 | 119.3° | 120.0° |
| O19 | C17 | N18 | 120.1° | 120.0° |
| C17 | N18 | H36 | 120.0° | 120.0° |
| C17 | N18 | H37 | 120.0° | 120.0° |
| H1 | C10 | H2 | 109.4° | 109.5° |
| H1 | C10 | H3 | 109.4° | 109.5° |
| H2 | C10 | H3 | 109.5° | 109.4° |
| H8 | C06 | H9 | 109.4° | 109.5° |
| H8 | C06 | H10 | 109.5° | 109.5° |
| H9 | C06 | H10 | 109.5° | 109.5° |
| H11 | C32 | H12 | 109.5° | 109.5° |
| H11 | C32 | H13 | 109.5° | 109.5° |
| H12 | C32 | H13 | 109.5° | 109.5° |
| H15 | C09 | H16 | 109.5° | 109.4° |
| H17 | C25 | H18 | 109.5° | 109.4° |
| H19 | C26 | H20 | 109.5° | 109.5° |
| H21 | C27 | H22 | 109.5° | 109.5° |
| H25 | C47 | H26 | 109.5° | 109.5° |
| H25 | C47 | H27 | 109.4° | 109.4° |
| H26 | C47 | H27 | 109.5° | 109.5° |
| H28 | C50 | H29 | 109.5° | 109.4° |
| H30 | C51 | H31 | 109.4° | 109.5° |
| H30 | C51 | H32 | 109.5° | 109.4° |
| H31 | C51 | H32 | 109.5° | 109.5° |
| H33 | C53 | H34 | 109.5° | 108.6° |
| H36 | N18 | H37 | 120.0° | 120.0° |
| H38 | N36 | H39 | 120.1° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N36 | C35 | O37 | C34 | 179.7° | 179.9° |
| N36 | C35 | C34 | C38 | 7.5° | 180.0° |
| N36 | C35 | C34 | C33 | 172.7° | 0.1° |
| C35 | N36 | H38 | H39 | 180.0° | 180.0° |
| O37 | C35 | C34 | C38 | 172.2° | 0.1° |
| O37 | C35 | C34 | C33 | 7.6° | 180.0° |
| O37 | C35 | N36 | H38 | 0.0° | 180.0° |
| O37 | C35 | N36 | H39 | 180.0° | 0.0° |
| C35 | C34 | C38 | C33 | 179.8° | 179.9° |
| C35 | C34 | C38 | C39 | 179.9° | 180.0° |
| C35 | C34 | C33 | C30 | 179.9° | 180.0° |
| C35 | C34 | C33 | H14 | 0.1° | 0.2° |
| C35 | C34 | C38 | H23 | 0.2° | 0.1° |
| C34 | C35 | N36 | H38 | 179.8° | 0.0° |
| C34 | C35 | N36 | H39 | 0.3° | 179.9° |
| C34 | C38 | C39 | H23 | 180.0° | 179.9° |
| C38 | C34 | C33 | C30 | 0.3° | 0.1° |
| C34 | C38 | C39 | N40 | 180.0° | 180.0° |
| C34 | C38 | C39 | C29 | 0.1° | 0.3° |
| C38 | C34 | C33 | H14 | 179.8° | 179.7° |
| C33 | C34 | C38 | C39 | 0.1° | 0.1° |
| C34 | C33 | C30 | H14 | 180.0° | 179.8° |
| C34 | C33 | C30 | C29 | 0.3° | 0.2° |
| C34 | C33 | C30 | O31 | 179.8° | 179.8° |
| C33 | C34 | C38 | H23 | 180.0° | 180.0° |
| C38 | C39 | N40 | C29 | 179.9° | 179.8° |
| C38 | C39 | N40 | C41 | 178.0° | 180.0° |
| C38 | C39 | C29 | C30 | 0.0° | 0.6° |
| C38 | C39 | C29 | N28 | 179.9° | 179.8° |
| C33 | C30 | C29 | C39 | 0.2° | 0.6° |
| C33 | C30 | O31 | C32 | 101.2° | 0.0° |
| C33 | C30 | C29 | O31 | 179.4° | 180.0° |
| C33 | C30 | C29 | N28 | 179.9° | 180.0° |
| N40 | C39 | C29 | C30 | 180.0° | 179.6° |
| N40 | C39 | C29 | N28 | 0.1° | 0.0° |
| C39 | N40 | C41 | N28 | 3.1° | 0.4° |
| C39 | N40 | C41 | N42 | 177.6° | 180.0° |
| N40 | C39 | C38 | H23 | 0.0° | 0.0° |
| C29 | C39 | N40 | C41 | 1.9° | 0.3° |
| C39 | C29 | C30 | N28 | 179.9° | 179.5° |
| C39 | C29 | C30 | O31 | 179.6° | 179.4° |
| C39 | C29 | N28 | C41 | 1.8° | 0.2° |
| C39 | C29 | N28 | C27 | 179.7° | 179.5° |
| C29 | C39 | C38 | H23 | 179.9° | 179.7° |
| C51 | C50 | N49 | H28 | 120.0° | 120.0° |
| C51 | C50 | N49 | H29 | 120.0° | 119.9° |
| C51 | C50 | N49 | N48 | 57.9° | 95.0° |
| C51 | C50 | N49 | C44 | 120.4° | 85.5° |
| C51 | C50 | H28 | H29 | 119.9° | 119.9° |
| C50 | C51 | H30 | H31 | 120.0° | 120.1° |
| C50 | C51 | H30 | H32 | 120.0° | 119.9° |
| C50 | C51 | H31 | H32 | 120.0° | 120.0° |
| C50 | N49 | N48 | C44 | 178.6° | 179.5° |
| C50 | N49 | C44 | C43 | 3.0° | 0.4° |
| C50 | N49 | N48 | C46 | 179.8° | 180.0° |
| C50 | N49 | C44 | C45 | 179.5° | 180.0° |
| N49 | C50 | H28 | H29 | 119.9° | 120.1° |
| N49 | C50 | C51 | H30 | 180.0° | 60.1° |
| N49 | C50 | C51 | H31 | 60.0° | 60.0° |
| N49 | C50 | C51 | H32 | 60.0° | 180.0° |
| N40 | C41 | N28 | C29 | 3.1° | 0.4° |
| N40 | C41 | N28 | N42 | 174.3° | 179.6° |
| N40 | C41 | N28 | C27 | 178.9° | 179.7° |
| N40 | C41 | N42 | C43 | 22.2° | 0.4° |
| N40 | C41 | N42 | H40 | 157.8° | 179.6° |
| C32 | O31 | C30 | C29 | 78.3° | 180.0° |
| O31 | C32 | H11 | H12 | 120.0° | 119.9° |
| O31 | C32 | H11 | H13 | 120.0° | 120.0° |
| O31 | C32 | H12 | H13 | 120.0° | 120.0° |
| C30 | C29 | N28 | C41 | 178.1° | 179.3° |
| C30 | C29 | N28 | C27 | 0.2° | 0.0° |
| C29 | C30 | C33 | H14 | 179.7° | 180.0° |
| O31 | C30 | C29 | N28 | 0.5° | 0.0° |
| C30 | O31 | C32 | H11 | 180.0° | 179.9° |
| C30 | O31 | C32 | H12 | 60.0° | 60.0° |
| C30 | O31 | C32 | H13 | 60.0° | 60.0° |
| O31 | C30 | C33 | H14 | 0.2° | 0.0° |
| C29 | N28 | C41 | C27 | 178.1° | 179.3° |
| C29 | N28 | C41 | N42 | 177.3° | 180.0° |
| C29 | N28 | C27 | C26 | 122.5° | 90.0° |
| C29 | N28 | C27 | H21 | 2.0° | 30.0° |
| C29 | N28 | C27 | H22 | 117.1° | 150.0° |
| N28 | C41 | N42 | C43 | 164.2° | 180.0° |
| C41 | N28 | C27 | C26 | 55.2° | 89.1° |
| C41 | N28 | C27 | H21 | 175.6° | 150.8° |
| C41 | N28 | C27 | H22 | 65.3° | 30.8° |
| N28 | C41 | N42 | H40 | 15.8° | 0.0° |
| C41 | N42 | C43 | O52 | 2.5° | 5.1° |
| N42 | C41 | N28 | C27 | 4.6° | 0.7° |
| C41 | N42 | C43 | H40 | 180.0° | 180.0° |
| C41 | N42 | C43 | C44 | 175.7° | 174.8° |
| O52 | C43 | C44 | N49 | 131.7° | 4.7° |
| O52 | C43 | N42 | C44 | 178.2° | 180.0° |
| O52 | C43 | C44 | C45 | 44.0° | 174.9° |
| O52 | C43 | N42 | H40 | 177.5° | 174.8° |
| N48 | N49 | C44 | C43 | 178.5° | 179.9° |
| N48 | N49 | C44 | C45 | 2.0° | 0.5° |
| N49 | N48 | C46 | C45 | 0.1° | 0.3° |
| N49 | N48 | C46 | C47 | 179.9° | 179.7° |
| N48 | N49 | C50 | H28 | 62.2° | 25.0° |
| N48 | N49 | C50 | H29 | 177.9° | 145.0° |
| N49 | C44 | C43 | N42 | 46.5° | 175.2° |
| N49 | C44 | C43 | C45 | 175.6° | 179.6° |
| C44 | N49 | N48 | C46 | 1.2° | 0.5° |
| N49 | C44 | C45 | C46 | 1.9° | 0.3° |
| N49 | C44 | C45 | H24 | 178.0° | 179.7° |
| C44 | N49 | C50 | H28 | 119.5° | 154.4° |
| C44 | N49 | C50 | H29 | 0.4° | 34.4° |
| N28 | C27 | C26 | H21 | 120.5° | 120.1° |
| N28 | C27 | C26 | H22 | 120.4° | 119.9° |
| N28 | C27 | C26 | C25 | 162.4° | 180.0° |
| N28 | C27 | C26 | H19 | 77.1° | 59.9° |
| N28 | C27 | C26 | H20 | 42.0° | 60.0° |
| N28 | C27 | H21 | H22 | 118.6° | 120.0° |
| N42 | C43 | C44 | C45 | 137.9° | 5.2° |
| C43 | C44 | C45 | C46 | 178.1° | 179.9° |
| C43 | C44 | C45 | H24 | 1.9° | 0.1° |
| C44 | C43 | N42 | H40 | 4.4° | 5.2° |
| N48 | C46 | C45 | C44 | 1.3° | 0.0° |
| N48 | C46 | C45 | C47 | 179.9° | 180.0° |
| N48 | C46 | C45 | H24 | 178.7° | 180.0° |
| N48 | C46 | C47 | H25 | 0.0° | 90.1° |
| N48 | C46 | C47 | H26 | 120.0° | 30.0° |
| N48 | C46 | C47 | H27 | 120.0° | 150.0° |
| C44 | C45 | C46 | H24 | 180.0° | 180.0° |
| C44 | C45 | C46 | C47 | 178.9° | 180.0° |
| C27 | C26 | C25 | H19 | 120.4° | 120.0° |
| C27 | C26 | C25 | H20 | 120.4° | 120.0° |
| C27 | C26 | C25 | C24 | 173.2° | 180.0° |
| C27 | C26 | C25 | H17 | 51.8° | 60.0° |
| C27 | C26 | C25 | H18 | 65.4° | 60.0° |
| C27 | C26 | H19 | H20 | 118.6° | 119.9° |
| C26 | C27 | H21 | H22 | 118.6° | 120.0° |
| C45 | C46 | C47 | H25 | 179.9° | 89.9° |
| C45 | C46 | C47 | H26 | 59.8° | 150.0° |
| C45 | C46 | C47 | H27 | 60.1° | 30.0° |
| C47 | C46 | C45 | H24 | 1.1° | 0.0° |
| C46 | C47 | H25 | H26 | 120.0° | 120.0° |
| C46 | C47 | H25 | H27 | 120.0° | 119.9° |
| C46 | C47 | H26 | H27 | 120.0° | 120.0° |
| C26 | C25 | C24 | H17 | 121.4° | 120.1° |
| C26 | C25 | C24 | H18 | 121.4° | 120.0° |
| C26 | C25 | C24 | N23 | 157.6° | 175.0° |
| C26 | C25 | C24 | C53 | 84.4° | 66.6° |
| C26 | C25 | C24 | H6 | 38.3° | 54.3° |
| C26 | C25 | H17 | H18 | 115.5° | 120.1° |
| C25 | C26 | H19 | H20 | 118.7° | 120.1° |
| C25 | C26 | C27 | H21 | 42.0° | 60.0° |
| C25 | C26 | C27 | H22 | 77.2° | 60.0° |
| C25 | C24 | N23 | C53 | 117.6° | 119.2° |
| C25 | C24 | N23 | H6 | 118.9° | 120.7° |
| C25 | C24 | C53 | H6 | 122.7° | 120.6° |
| C25 | C24 | N23 | C12 | 83.7° | 84.4° |
| C25 | C24 | N23 | C22 | 92.1° | 95.9° |
| C25 | C24 | C53 | O54 | 64.6° | 70.0° |
| C24 | C25 | H17 | H18 | 115.5° | 119.9° |
| C24 | C25 | C26 | H19 | 66.3° | 60.0° |
| C24 | C25 | C26 | H20 | 52.8° | 60.0° |
| C25 | C24 | C53 | H33 | 174.8° | 169.6° |
| C25 | C24 | C53 | H34 | 56.0° | 51.5° |
| C06 | C05 | C04 | N07 | 179.7° | 179.9° |
| C06 | C05 | C04 | C03 | 179.4° | 180.0° |
| C06 | C05 | N07 | N08 | 180.0° | 179.8° |
| C06 | C05 | C04 | H7 | 0.6° | 0.2° |
| C05 | C06 | H8 | H9 | 120.0° | 120.0° |
| C05 | C06 | H8 | H10 | 120.0° | 120.0° |
| C05 | C06 | H9 | H10 | 120.0° | 119.9° |
| C05 | C04 | C03 | H7 | 180.0° | 179.8° |
| C04 | C05 | N07 | N08 | 0.3° | 0.3° |
| C05 | C04 | C03 | N08 | 0.7° | 0.2° |
| C05 | C04 | C03 | C02 | 178.9° | 179.7° |
| C04 | C05 | C06 | H8 | 179.6° | 90.0° |
| C04 | C05 | C06 | H9 | 59.6° | 150.0° |
| C04 | C05 | C06 | H10 | 60.4° | 30.1° |
| N07 | C05 | C04 | C03 | 0.3° | 0.0° |
| C05 | N07 | N08 | C03 | 0.8° | 0.4° |
| C05 | N07 | N08 | C09 | 179.8° | 180.0° |
| N07 | C05 | C04 | H7 | 179.7° | 179.8° |
| N07 | C05 | C06 | H8 | 0.0° | 89.9° |
| N07 | C05 | C06 | H9 | 120.0° | 30.1° |
| N07 | C05 | C06 | H10 | 120.0° | 150.0° |
| C04 | C03 | N08 | N07 | 0.9° | 0.4° |
| C04 | C03 | C02 | N11 | 23.3° | 5.2° |
| C04 | C03 | N08 | C02 | 178.2° | 179.9° |
| C04 | C03 | N08 | C09 | 180.0° | 179.9° |
| C04 | C03 | C02 | O01 | 157.1° | 174.7° |
| C10 | C09 | N08 | N07 | 87.4° | 85.9° |
| C10 | C09 | N08 | C03 | 93.7° | 94.7° |
| C10 | C09 | N08 | H15 | 120.1° | 120.0° |
| C10 | C09 | N08 | H16 | 120.1° | 120.0° |
| C09 | C10 | H1 | H2 | 120.0° | 120.0° |
| C09 | C10 | H1 | H3 | 120.0° | 120.0° |
| C09 | C10 | H2 | H3 | 120.0° | 120.0° |
| C10 | C09 | H15 | H16 | 119.7° | 120.0° |
| N07 | N08 | C03 | C09 | 179.1° | 179.5° |
| N07 | N08 | C03 | C02 | 179.2° | 179.5° |
| N07 | N08 | C09 | H15 | 32.7° | 154.1° |
| N07 | N08 | C09 | H16 | 152.5° | 34.2° |
| C02 | N11 | C12 | H35 | 180.0° | 180.0° |
| N11 | C02 | C03 | N08 | 154.6° | 174.7° |
| N11 | C02 | C03 | O01 | 179.7° | 179.9° |
| C02 | N11 | C12 | N23 | 52.3° | 180.0° |
| C02 | N11 | C12 | N13 | 125.3° | 0.2° |
| N11 | C12 | N23 | C24 | 4.2° | 0.3° |
| C12 | N11 | C02 | C03 | 179.2° | 174.9° |
| C12 | N11 | C02 | O01 | 0.5° | 5.2° |
| N11 | C12 | N23 | N13 | 178.1° | 179.8° |
| N11 | C12 | N23 | C22 | 179.7° | 179.9° |
| N11 | C12 | N13 | C14 | 179.0° | 179.9° |
| N23 | C24 | C53 | H6 | 123.9° | 119.9° |
| C24 | N23 | C12 | C22 | 176.2° | 179.7° |
| C24 | N23 | C12 | N13 | 177.8° | 179.9° |
| N23 | C24 | C53 | O54 | 48.9° | 49.5° |
| C24 | N23 | C22 | C21 | 2.3° | 0.7° |
| C24 | N23 | C22 | C14 | 178.4° | 179.9° |
| N23 | C24 | C25 | H17 | 81.0° | 54.9° |
| N23 | C24 | C25 | H18 | 36.1° | 65.0° |
| N23 | C24 | C53 | H33 | 71.8° | 70.9° |
| N23 | C24 | C53 | H34 | 169.5° | 170.9° |
| C53 | C24 | N23 | C12 | 158.6° | 156.4° |
| C53 | C24 | N23 | C22 | 25.5° | 23.3° |
| C24 | C53 | O54 | H33 | 120.6° | 120.8° |
| C24 | C53 | O54 | H34 | 120.6° | 121.4° |
| C24 | C53 | O54 | C21 | 47.7° | 54.6° |
| C53 | C24 | C25 | H17 | 37.0° | 173.4° |
| C53 | C24 | C25 | H18 | 154.2° | 53.5° |
| C24 | C53 | H33 | H34 | 118.0° | 118.3° |
| N08 | C03 | C02 | O01 | 25.1° | 5.4° |
| N08 | C03 | C04 | H7 | 179.3° | 180.0° |
| C03 | N08 | C09 | H15 | 146.3° | 25.4° |
| C03 | N08 | C09 | H16 | 26.4° | 145.3° |
| C02 | C03 | N08 | C09 | 1.8° | 0.0° |
| C02 | C03 | C04 | H7 | 1.1° | 0.1° |
| C03 | C02 | N11 | H35 | 0.8° | 5.1° |
| N08 | C09 | C10 | H1 | 180.0° | 60.0° |
| N08 | C09 | C10 | H2 | 60.0° | 180.0° |
| N08 | C09 | C10 | H3 | 60.0° | 60.0° |
| N08 | C09 | H15 | H16 | 119.7° | 120.0° |
| O01 | C02 | N11 | H35 | 179.5° | 174.8° |
| N23 | C12 | N13 | C14 | 1.1° | 0.2° |
| C12 | N23 | C22 | C21 | 179.3° | 179.5° |
| C12 | N23 | C22 | C14 | 1.4° | 0.1° |
| C12 | N23 | C24 | H6 | 35.1° | 36.4° |
| N23 | C12 | N11 | H35 | 127.7° | 0.0° |
| N13 | C12 | N23 | C22 | 1.6° | 0.1° |
| C12 | N13 | C14 | C22 | 0.3° | 0.1° |
| C12 | N13 | C14 | C15 | 179.6° | 179.9° |
| N13 | C12 | N11 | H35 | 54.6° | 179.8° |
| N23 | C22 | C21 | O54 | 0.3° | 0.1° |
| N23 | C22 | C14 | N13 | 0.7° | 0.0° |
| N23 | C22 | C21 | C14 | 179.3° | 179.3° |
| N23 | C22 | C21 | C20 | 179.1° | 179.8° |
| N23 | C22 | C14 | C15 | 179.3° | 180.0° |
| C22 | N23 | C24 | H6 | 149.0° | 143.4° |
| C53 | O54 | C21 | C22 | 23.8° | 27.8° |
| C53 | O54 | C21 | C20 | 155.6° | 151.8° |
| O54 | C53 | C24 | H6 | 172.7° | 169.4° |
| O54 | C53 | H33 | H34 | 118.1° | 118.1° |
| O54 | C21 | C22 | C20 | 179.4° | 179.6° |
| O54 | C21 | C22 | C14 | 179.6° | 179.5° |
| O54 | C21 | C20 | C16 | 179.5° | 179.9° |
| O54 | C21 | C20 | H5 | 0.5° | 0.2° |
| C21 | O54 | C53 | H33 | 72.9° | 66.1° |
| C21 | O54 | C53 | H34 | 168.4° | 176.0° |
| N13 | C14 | C22 | C21 | 179.9° | 179.4° |
| N13 | C14 | C22 | C15 | 180.0° | 180.0° |
| N13 | C14 | C15 | C16 | 180.0° | 179.9° |
| N13 | C14 | C15 | H4 | 0.0° | 0.2° |
| C21 | C22 | C14 | C15 | 0.0° | 0.6° |
| C22 | C21 | C20 | C16 | 0.1° | 0.5° |
| C22 | C21 | C20 | H5 | 179.9° | 179.4° |
| C14 | C22 | C21 | C20 | 0.1° | 0.9° |
| C22 | C14 | C15 | C16 | 0.1° | 0.0° |
| C22 | C14 | C15 | H4 | 179.9° | 179.7° |
| C21 | C20 | C16 | H5 | 180.0° | 179.9° |
| C21 | C20 | C16 | C15 | 0.0° | 0.0° |
| C21 | C20 | C16 | C17 | 179.9° | 180.0° |
| C14 | C15 | C16 | C20 | 0.1° | 0.3° |
| C14 | C15 | C16 | H4 | 180.0° | 179.7° |
| C14 | C15 | C16 | C17 | 180.0° | 179.7° |
| C20 | C16 | C15 | C17 | 179.9° | 179.9° |
| C20 | C16 | C17 | O19 | 0.3° | 0.1° |
| C20 | C16 | C17 | N18 | 179.9° | 180.0° |
| C20 | C16 | C15 | H4 | 179.9° | 180.0° |
| C15 | C16 | C17 | O19 | 179.6° | 180.0° |
| C15 | C16 | C17 | N18 | 0.3° | 0.0° |
| C15 | C16 | C20 | H5 | 180.0° | 180.0° |
| C16 | C17 | O19 | N18 | 179.8° | 180.0° |
| C17 | C16 | C15 | H4 | 0.0° | 0.0° |
| C17 | C16 | C20 | H5 | 0.1° | 0.1° |
| C16 | C17 | N18 | H36 | 179.8° | 180.0° |
| C16 | C17 | N18 | H37 | 0.2° | 0.0° |
| O19 | C17 | N18 | H36 | 0.0° | 0.0° |
| O19 | C17 | N18 | H37 | 180.0° | 180.0° |
| C17 | N18 | H36 | H37 | 180.0° | 180.0° |
| H1 | C10 | H2 | H3 | 120.0° | 120.0° |
| H1 | C10 | C09 | H15 | 59.9° | NaN° |
| H1 | C10 | C09 | H16 | 59.9° | 60.0° |
| H2 | C10 | C09 | H15 | 60.1° | 60.0° |
| H2 | C10 | C09 | H16 | 179.9° | 60.0° |
| H3 | C10 | C09 | H15 | 179.9° | 60.0° |
| H3 | C10 | C09 | H16 | 60.1° | 180.0° |
| H6 | C24 | C25 | H17 | 159.7° | 65.8° |
| H6 | C24 | C25 | H18 | 83.1° | 174.3° |
| H6 | C24 | C53 | H33 | 52.1° | 49.0° |
| H6 | C24 | C53 | H34 | 66.6° | 69.2° |
| H8 | C06 | H9 | H10 | 120.0° | 120.0° |
| H11 | C32 | H12 | H13 | 120.0° | 120.1° |
| H17 | C25 | C26 | H19 | 172.3° | 180.0° |
| H17 | C25 | C26 | H20 | 68.6° | 60.0° |
| H18 | C25 | C26 | H19 | 55.1° | 60.0° |
| H18 | C25 | C26 | H20 | 174.2° | NaN° |
| H19 | C26 | C27 | H21 | 162.4° | 180.0° |
| H19 | C26 | C27 | H22 | 43.3° | 60.0° |
| H20 | C26 | C27 | H21 | 78.5° | 60.0° |
| H20 | C26 | C27 | H22 | 162.4° | 180.0° |
| H25 | C47 | H26 | H27 | 120.0° | 120.0° |
| H28 | C50 | C51 | H30 | 59.9° | 60.0° |
| H28 | C50 | C51 | H31 | 60.1° | 179.9° |
| H28 | C50 | C51 | H32 | 179.9° | 59.9° |
| H29 | C50 | C51 | H30 | 60.0° | 179.9° |
| H29 | C50 | C51 | H31 | 180.0° | 60.0° |
| H29 | C50 | C51 | H32 | 60.0° | 60.0° |
| H30 | C51 | H31 | H32 | 120.0° | 119.9° |
