9K4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O45 | C42 | doub | 1.21Å | 1.18Å | |
| C40 | C39 | sing | 1.53Å | 1.56Å | |
| C40 | N41 | sing | 1.47Å | 1.48Å | |
| C39 | O38 | sing | 1.43Å | 1.44Å | |
| O38 | C37 | sing | 1.43Å | 1.43Å | |
| C42 | N41 | sing | 1.35Å | 1.49Å | |
| C42 | C43 | sing | 1.51Å | 1.53Å | |
| C37 | C36 | sing | 1.53Å | 1.56Å | |
| C36 | O35 | sing | 1.43Å | 1.44Å | |
| O35 | C34 | sing | 1.43Å | 1.43Å | |
| C34 | C33 | sing | 1.53Å | 1.55Å | |
| C33 | O32 | sing | 1.43Å | 1.44Å | |
| O32 | C31 | sing | 1.43Å | 1.41Å | |
| C31 | C30 | sing | 1.53Å | 1.57Å | |
| C30 | O29 | sing | 1.43Å | 1.43Å | |
| O29 | C28 | sing | 1.43Å | 1.44Å | |
| C28 | C27 | sing | 1.53Å | 1.56Å | |
| C27 | O26 | sing | 1.43Å | 1.44Å | |
| O26 | C25 | sing | 1.43Å | 1.44Å | |
| C25 | C24 | sing | 1.53Å | 1.56Å | |
| C24 | O23 | sing | 1.43Å | 1.45Å | |
| O23 | C22 | sing | 1.43Å | 1.44Å | |
| C22 | C21 | sing | 1.53Å | 1.59Å | |
| C21 | N20 | sing | 1.46Å | 1.49Å | |
| N20 | C19 | sing | 1.35Å | 1.49Å | |
| C19 | O46 | doub | 1.21Å | 1.20Å | |
| C19 | C18 | sing | 1.51Å | 1.55Å | |
| C18 | N17 | sing | 1.47Å | 1.27Å | |
| C47 | N17 | sing | 1.47Å | 1.41Å | |
| C47 | C48 | sing | 1.54Å | 1.52Å | |
| N17 | C16 | sing | 1.47Å | 1.42Å | |
| C48 | N14 | sing | 1.47Å | 1.44Å | |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| F07 | C06 | sing | 1.35Å | 1.37Å | |
| N14 | C15 | sing | 1.47Å | 1.43Å | |
| N14 | C13 | sing | 1.35Å | 1.49Å | |
| C06 | C05 | doub | 1.38Å | 1.40Å | Aromatic |
| C06 | C08 | sing | 1.38Å | 1.42Å | Aromatic |
| C12 | C13 | sing | 1.51Å | 1.53Å | |
| C12 | C10 | sing | 1.53Å | 1.56Å | |
| N11 | C10 | sing | 1.47Å | 1.45Å | |
| C13 | O49 | doub | 1.21Å | 1.19Å | |
| C09 | C10 | sing | 1.53Å | 1.52Å | |
| C09 | C08 | sing | 1.51Å | 1.57Å | |
| C05 | C03 | sing | 1.38Å | 1.40Å | Aromatic |
| C08 | C50 | doub | 1.38Å | 1.39Å | Aromatic |
| C03 | F04 | sing | 1.35Å | 1.38Å | |
| C03 | C02 | doub | 1.39Å | 1.43Å | Aromatic |
| C50 | C02 | sing | 1.38Å | 1.40Å | Aromatic |
| C02 | F01 | sing | 1.35Å | 1.37Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C21 | H4 | sing | 1.09Å | 1.10Å | |
| C21 | H5 | sing | 1.09Å | 1.10Å | |
| C22 | H6 | sing | 1.09Å | 1.10Å | |
| C22 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C24 | H9 | sing | 1.09Å | 1.10Å | |
| C28 | H10 | sing | 1.09Å | 1.10Å | |
| C28 | H11 | sing | 1.09Å | 1.10Å | |
| C05 | H12 | sing | 1.08Å | 1.08Å | |
| C09 | H13 | sing | 1.09Å | 1.10Å | |
| C09 | H14 | sing | 1.09Å | 1.10Å | |
| N11 | H15 | sing | 1.01Å | 1.00Å | |
| N11 | H16 | sing | 1.01Å | 1.00Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| N20 | H25 | sing | 0.97Å | 1.00Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H28 | sing | 1.09Å | 1.10Å | |
| C27 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H32 | sing | 1.09Å | 1.10Å | |
| C31 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H34 | sing | 1.09Å | 1.10Å | |
| C33 | H35 | sing | 1.09Å | 1.10Å | |
| C34 | H36 | sing | 1.09Å | 1.10Å | |
| C34 | H37 | sing | 1.09Å | 1.10Å | |
| C36 | H38 | sing | 1.09Å | 1.10Å | |
| C36 | H39 | sing | 1.09Å | 1.10Å | |
| C37 | H40 | sing | 1.09Å | 1.10Å | |
| C37 | H41 | sing | 1.09Å | 1.10Å | |
| C39 | H42 | sing | 1.09Å | 1.10Å | |
| C39 | H43 | sing | 1.09Å | 1.10Å | |
| C40 | H44 | sing | 1.09Å | 1.10Å | |
| C40 | H45 | sing | 1.09Å | 1.10Å | |
| N41 | H46 | sing | 0.97Å | 1.00Å | |
| C43 | H47 | sing | 1.09Å | 1.10Å | |
| C43 | H48 | sing | 1.09Å | 1.10Å | |
| C43 | H49 | sing | 1.09Å | 1.10Å | |
| C47 | H50 | sing | 1.09Å | 1.10Å | |
| C47 | H51 | sing | 1.09Å | 1.10Å | |
| C48 | H52 | sing | 1.09Å | 1.10Å | |
| C48 | H53 | sing | 1.09Å | 1.10Å | |
| C50 | H54 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O45 | C42 | N41 | 120.6° | 120.0° |
| O45 | C42 | C43 | 119.7° | 120.0° |
| C39 | C40 | N41 | 112.2° | 109.5° |
| C40 | C39 | O38 | 110.5° | 109.4° |
| C40 | C39 | H42 | 109.2° | 109.5° |
| C40 | C39 | H43 | 109.2° | 109.5° |
| C39 | C40 | H44 | 108.8° | 109.4° |
| C39 | C40 | H45 | 108.8° | 109.5° |
| C40 | N41 | C42 | 123.3° | 120.0° |
| N41 | C40 | H44 | 108.8° | 109.4° |
| N41 | C40 | H45 | 108.8° | 109.5° |
| C40 | N41 | H46 | 118.3° | 120.0° |
| C39 | O38 | C37 | 120.2° | 114.0° |
| O38 | C39 | H42 | 109.2° | 109.5° |
| O38 | C39 | H43 | 109.2° | 109.5° |
| O38 | C37 | C36 | 108.9° | 109.5° |
| O38 | C37 | H40 | 109.6° | 109.5° |
| O38 | C37 | H41 | 109.6° | 109.5° |
| N41 | C42 | C43 | 119.7° | 120.0° |
| C42 | N41 | H46 | 118.3° | 120.0° |
| C42 | C43 | H47 | 109.5° | 109.5° |
| C42 | C43 | H48 | 109.5° | 109.4° |
| C42 | C43 | H49 | 109.5° | 109.5° |
| C37 | C36 | O35 | 110.5° | 109.4° |
| C37 | C36 | H38 | 109.2° | 109.4° |
| C37 | C36 | H39 | 109.2° | 109.5° |
| C36 | C37 | H40 | 109.6° | 109.5° |
| C36 | C37 | H41 | 109.6° | 109.5° |
| C36 | O35 | C34 | 116.3° | 114.0° |
| O35 | C36 | H38 | 109.2° | 109.5° |
| O35 | C36 | H39 | 109.2° | 109.5° |
| O35 | C34 | C33 | 109.5° | 109.5° |
| O35 | C34 | H36 | 109.5° | 109.5° |
| O35 | C34 | H37 | 109.5° | 109.5° |
| C34 | C33 | O32 | 111.0° | 109.5° |
| C34 | C33 | H34 | 109.1° | 109.5° |
| C34 | C33 | H35 | 109.1° | 109.4° |
| C33 | C34 | H36 | 109.4° | 109.5° |
| C33 | C34 | H37 | 109.4° | 109.5° |
| C33 | O32 | C31 | 117.5° | 114.0° |
| O32 | C33 | H34 | 109.1° | 109.5° |
| O32 | C33 | H35 | 109.1° | 109.5° |
| O32 | C31 | C30 | 109.6° | 109.5° |
| O32 | C31 | H32 | 109.5° | 109.4° |
| O32 | C31 | H33 | 109.4° | 109.5° |
| C31 | C30 | O29 | 109.1° | 109.4° |
| C31 | C30 | H30 | 109.6° | 109.5° |
| C31 | C30 | H31 | 109.6° | 109.4° |
| C30 | C31 | H32 | 109.4° | 109.5° |
| C30 | C31 | H33 | 109.5° | 109.5° |
| C30 | O29 | C28 | 116.6° | 114.0° |
| O29 | C30 | H30 | 109.6° | 109.5° |
| O29 | C30 | H31 | 109.5° | 109.5° |
| O29 | C28 | C27 | 110.0° | 109.5° |
| O29 | C28 | H10 | 109.3° | 109.5° |
| O29 | C28 | H11 | 109.3° | 109.5° |
| C28 | C27 | O26 | 109.3° | 109.5° |
| C27 | C28 | H10 | 109.4° | 109.5° |
| C27 | C28 | H11 | 109.3° | 109.5° |
| C28 | C27 | H28 | 109.5° | 109.5° |
| C28 | C27 | H29 | 109.5° | 109.5° |
| C27 | O26 | C25 | 117.4° | 114.0° |
| O26 | C27 | H28 | 109.5° | 109.5° |
| O26 | C27 | H29 | 109.5° | 109.4° |
| O26 | C25 | C24 | 107.6° | 109.5° |
| O26 | C25 | H26 | 109.9° | 109.4° |
| O26 | C25 | H27 | 109.9° | 109.5° |
| C25 | C24 | O23 | 110.9° | 109.5° |
| C25 | C24 | H8 | 109.1° | 109.5° |
| C25 | C24 | H9 | 109.1° | 109.5° |
| C24 | C25 | H26 | 109.9° | 109.5° |
| C24 | C25 | H27 | 109.9° | 109.5° |
| C24 | O23 | C22 | 114.8° | 114.0° |
| O23 | C24 | H8 | 109.1° | 109.5° |
| O23 | C24 | H9 | 109.1° | 109.4° |
| O23 | C22 | C21 | 111.3° | 109.4° |
| O23 | C22 | H6 | 109.0° | 109.4° |
| O23 | C22 | H7 | 109.0° | 109.5° |
| C22 | C21 | N20 | 111.4° | 109.5° |
| C22 | C21 | H4 | 109.0° | 109.5° |
| C22 | C21 | H5 | 109.0° | 109.5° |
| C21 | C22 | H6 | 109.0° | 109.5° |
| C21 | C22 | H7 | 109.0° | 109.5° |
| C21 | N20 | C19 | 123.1° | 120.0° |
| N20 | C21 | H4 | 109.0° | 109.5° |
| N20 | C21 | H5 | 109.0° | 109.5° |
| C21 | N20 | H25 | 118.4° | 120.0° |
| N20 | C19 | O46 | 122.2° | 120.0° |
| N20 | C19 | C18 | 119.5° | 120.0° |
| C19 | N20 | H25 | 118.5° | 120.0° |
| O46 | C19 | C18 | 118.4° | 120.0° |
| C19 | C18 | N17 | 112.2° | 109.5° |
| C19 | C18 | H23 | 108.8° | 109.5° |
| C19 | C18 | H24 | 108.8° | 109.5° |
| C18 | N17 | C47 | 115.0° | 111.0° |
| C18 | N17 | C16 | 114.3° | 111.0° |
| N17 | C18 | H23 | 108.8° | 109.5° |
| N17 | C18 | H24 | 108.8° | 109.5° |
| N17 | C47 | C48 | 110.6° | 109.3° |
| C47 | N17 | C16 | 110.5° | 111.3° |
| N17 | C47 | H50 | 109.2° | 109.5° |
| N17 | C47 | H51 | 109.2° | 109.5° |
| C47 | C48 | N14 | 111.6° | 108.4° |
| C48 | C47 | H50 | 109.2° | 109.6° |
| C48 | C47 | H51 | 109.2° | 109.5° |
| C47 | C48 | H52 | 108.9° | 109.6° |
| C47 | C48 | H53 | 108.9° | 109.6° |
| N17 | C16 | C15 | 111.5° | 109.3° |
| N17 | C16 | H20 | 109.0° | 109.5° |
| N17 | C16 | H21 | 109.0° | 109.5° |
| C48 | N14 | C15 | 108.8° | 118.2° |
| C48 | N14 | C13 | 127.5° | 120.9° |
| N14 | C48 | H52 | 108.9° | 109.7° |
| N14 | C48 | H53 | 108.9° | 109.6° |
| C16 | C15 | N14 | 112.2° | 108.7° |
| C16 | C15 | H2 | 108.8° | 109.6° |
| C16 | C15 | H3 | 108.8° | 109.6° |
| C15 | C16 | H20 | 109.0° | 109.5° |
| C15 | C16 | H21 | 109.0° | 109.5° |
| F07 | C06 | C05 | 119.7° | 120.0° |
| F07 | C06 | C08 | 121.2° | 120.0° |
| C15 | N14 | C13 | 123.7° | 120.9° |
| N14 | C15 | H2 | 108.8° | 109.6° |
| N14 | C15 | H3 | 108.8° | 109.6° |
| N14 | C13 | C12 | 121.8° | 120.0° |
| N14 | C13 | O49 | 118.8° | 120.0° |
| C05 | C06 | C08 | 119.1° | 120.1° |
| C06 | C05 | C03 | 119.9° | 119.9° |
| C06 | C05 | H12 | 120.0° | 120.1° |
| C06 | C08 | C09 | 122.0° | 120.0° |
| C06 | C08 | C50 | 121.2° | 120.1° |
| C13 | C12 | C10 | 113.4° | 109.5° |
| C12 | C13 | O49 | 119.4° | 120.0° |
| C13 | C12 | H18 | 108.4° | 109.4° |
| C13 | C12 | H19 | 108.5° | 109.5° |
| C12 | C10 | N11 | 110.9° | 109.5° |
| C12 | C10 | C09 | 111.5° | 109.5° |
| C12 | C10 | H1 | 108.7° | 109.5° |
| C10 | C12 | H18 | 108.5° | 109.5° |
| C10 | C12 | H19 | 108.5° | 109.5° |
| N11 | C10 | C09 | 106.3° | 109.5° |
| N11 | C10 | H1 | 110.2° | 109.4° |
| C10 | N11 | H15 | 109.5° | 111.0° |
| C10 | N11 | H16 | 109.5° | 111.1° |
| C10 | C09 | C08 | 111.3° | 109.5° |
| C09 | C10 | H1 | 109.3° | 109.5° |
| C10 | C09 | H13 | 109.0° | 109.5° |
| C10 | C09 | H14 | 109.0° | 109.5° |
| C09 | C08 | C50 | 116.8° | 119.9° |
| C08 | C09 | H13 | 109.0° | 109.4° |
| C08 | C09 | H14 | 109.0° | 109.5° |
| C05 | C03 | F04 | 118.4° | 120.0° |
| C05 | C03 | C02 | 120.8° | 120.0° |
| C03 | C05 | H12 | 120.0° | 120.0° |
| C08 | C50 | C02 | 120.2° | 120.0° |
| C08 | C50 | H54 | 119.9° | 120.0° |
| F04 | C03 | C02 | 120.9° | 120.0° |
| C03 | C02 | C50 | 118.8° | 120.0° |
| C03 | C02 | F01 | 122.7° | 120.0° |
| C50 | C02 | F01 | 118.5° | 120.0° |
| C02 | C50 | H54 | 119.9° | 120.0° |
| H2 | C15 | H3 | 109.4° | 109.7° |
| H4 | C21 | H5 | 109.5° | 109.4° |
| H6 | C22 | H7 | 109.4° | 109.5° |
| H8 | C24 | H9 | 109.5° | 109.4° |
| H10 | C28 | H11 | 109.5° | 109.5° |
| H13 | C09 | H14 | 109.5° | 109.5° |
| H15 | N11 | H16 | 109.5° | 111.0° |
| H18 | C12 | H19 | 109.5° | 109.5° |
| H20 | C16 | H21 | 109.5° | 109.5° |
| H23 | C18 | H24 | 109.5° | 109.4° |
| H26 | C25 | H27 | 109.5° | 109.5° |
| H28 | C27 | H29 | 109.5° | 109.4° |
| H30 | C30 | H31 | 109.5° | 109.5° |
| H32 | C31 | H33 | 109.5° | 109.5° |
| H34 | C33 | H35 | 109.5° | 109.5° |
| H36 | C34 | H37 | 109.5° | 109.5° |
| H38 | C36 | H39 | 109.5° | 109.5° |
| H40 | C37 | H41 | 109.4° | 109.5° |
| H42 | C39 | H43 | 109.5° | 109.5° |
| H44 | C40 | H45 | 109.5° | 109.5° |
| H47 | C43 | H48 | 109.4° | 109.5° |
| H47 | C43 | H49 | 109.5° | 109.5° |
| H48 | C43 | H49 | 109.5° | 109.5° |
| H50 | C47 | H51 | 109.5° | 109.5° |
| H52 | C48 | H53 | 109.5° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O45 | C42 | N41 | C40 | 0.5° | 0.1° |
| O45 | C42 | N41 | C43 | 179.9° | 180.0° |
| O45 | C42 | N41 | H46 | 179.5° | 180.0° |
| O45 | C42 | C43 | H47 | 0.0° | 180.0° |
| O45 | C42 | C43 | H48 | 120.0° | 60.0° |
| O45 | C42 | C43 | H49 | 120.0° | 60.0° |
| C39 | C40 | N41 | H44 | 120.4° | 119.9° |
| C39 | C40 | N41 | H45 | 120.4° | 120.1° |
| C40 | C39 | O38 | H42 | 120.1° | 120.0° |
| C40 | C39 | O38 | H43 | 120.2° | 120.0° |
| C40 | C39 | O38 | C37 | 128.8° | 180.0° |
| C39 | C40 | N41 | C42 | 169.6° | 180.0° |
| C40 | C39 | H42 | H43 | 119.5° | 120.0° |
| C39 | C40 | H44 | H45 | 118.7° | 120.1° |
| C39 | C40 | N41 | H46 | 10.3° | 0.1° |
| N41 | C40 | C39 | O38 | 129.2° | 65.0° |
| C40 | N41 | C42 | H46 | 180.0° | 179.9° |
| C40 | N41 | C42 | C43 | 179.6° | 180.0° |
| N41 | C40 | C39 | H42 | 9.1° | 54.9° |
| N41 | C40 | C39 | H43 | 110.6° | 175.0° |
| N41 | C40 | H44 | H45 | 118.8° | 120.0° |
| C39 | O38 | C37 | C36 | 109.5° | 180.0° |
| C39 | O38 | C37 | H40 | 10.5° | 60.0° |
| C39 | O38 | C37 | H41 | 130.6° | 60.0° |
| O38 | C39 | H42 | H43 | 119.6° | 120.0° |
| O38 | C39 | C40 | H44 | 8.8° | 175.0° |
| O38 | C39 | C40 | H45 | 110.4° | 55.0° |
| O38 | C37 | C36 | H40 | 119.9° | 120.0° |
| O38 | C37 | C36 | H41 | 119.9° | 120.0° |
| O38 | C37 | C36 | O35 | 175.6° | 65.0° |
| O38 | C37 | C36 | H38 | 64.2° | 55.0° |
| O38 | C37 | C36 | H39 | 55.5° | 175.0° |
| O38 | C37 | H40 | H41 | 120.2° | 120.0° |
| C37 | O38 | C39 | H42 | 8.7° | 60.0° |
| C37 | O38 | C39 | H43 | 111.0° | 60.0° |
| C42 | N41 | C40 | H44 | 69.9° | 60.0° |
| C42 | N41 | C40 | H45 | 49.2° | 59.9° |
| N41 | C42 | C43 | H47 | 179.9° | 0.0° |
| N41 | C42 | C43 | H48 | 60.1° | 120.0° |
| N41 | C42 | C43 | H49 | 59.9° | 120.0° |
| C43 | C42 | N41 | H46 | 0.4° | 0.0° |
| C42 | C43 | H47 | H48 | 120.0° | 119.9° |
| C42 | C43 | H47 | H49 | 120.0° | 120.0° |
| C42 | C43 | H48 | H49 | 120.0° | 120.0° |
| C37 | C36 | O35 | H38 | 120.2° | 119.9° |
| C37 | C36 | O35 | H39 | 120.2° | 120.0° |
| C37 | C36 | O35 | C34 | 176.5° | 180.0° |
| C37 | C36 | H38 | H39 | 119.6° | 120.0° |
| C36 | C37 | H40 | H41 | 120.3° | 120.0° |
| C36 | O35 | C34 | C33 | 179.4° | 180.0° |
| C36 | O35 | C34 | H36 | 59.4° | 60.0° |
| C36 | O35 | C34 | H37 | 60.6° | 60.0° |
| O35 | C36 | H38 | H39 | 119.5° | 120.1° |
| O35 | C36 | C37 | H40 | 55.7° | 175.0° |
| O35 | C36 | C37 | H41 | 64.5° | 55.0° |
| O35 | C34 | C33 | H36 | 120.0° | 120.0° |
| O35 | C34 | C33 | H37 | 120.0° | 120.0° |
| O35 | C34 | C33 | O32 | 137.5° | 65.0° |
| O35 | C34 | C33 | H34 | 17.3° | 55.1° |
| O35 | C34 | C33 | H35 | 102.3° | 175.0° |
| O35 | C34 | H36 | H37 | 120.0° | 120.0° |
| C34 | O35 | C36 | H38 | 56.3° | 60.0° |
| C34 | O35 | C36 | H39 | 63.3° | 60.0° |
| C34 | C33 | O32 | H34 | 120.3° | 120.0° |
| C34 | C33 | O32 | H35 | 120.2° | 120.0° |
| C34 | C33 | O32 | C31 | 81.7° | 180.0° |
| C34 | C33 | H34 | H35 | 119.3° | 119.9° |
| C33 | C34 | H36 | H37 | 120.0° | 120.0° |
| C33 | O32 | C31 | C30 | 167.2° | 180.0° |
| C33 | O32 | C31 | H32 | 72.8° | 60.0° |
| C33 | O32 | C31 | H33 | 47.2° | 60.0° |
| O32 | C33 | H34 | H35 | 119.3° | 120.0° |
| O32 | C33 | C34 | H36 | 102.5° | 175.0° |
| O32 | C33 | C34 | H37 | 17.5° | 55.0° |
| O32 | C31 | C30 | H32 | 120.0° | 120.0° |
| O32 | C31 | C30 | H33 | 120.0° | 120.0° |
| O32 | C31 | C30 | O29 | 67.0° | 65.0° |
| O32 | C31 | C30 | H30 | 52.9° | 55.0° |
| O32 | C31 | C30 | H31 | 173.1° | 175.0° |
| O32 | C31 | H32 | H33 | 119.9° | 120.0° |
| C31 | O32 | C33 | H34 | 38.6° | 60.0° |
| C31 | O32 | C33 | H35 | 158.1° | 60.0° |
| C31 | C30 | O29 | H30 | 119.9° | 120.0° |
| C31 | C30 | O29 | H31 | 119.9° | 119.9° |
| C31 | C30 | O29 | C28 | 165.8° | 180.0° |
| C31 | C30 | H30 | H31 | 120.2° | 119.9° |
| C30 | C31 | H32 | H33 | 120.0° | 120.1° |
| C30 | O29 | C28 | C27 | 145.5° | 180.0° |
| C30 | O29 | C28 | H10 | 25.4° | 60.0° |
| C30 | O29 | C28 | H11 | 94.4° | 60.0° |
| O29 | C30 | H30 | H31 | 120.1° | 120.1° |
| O29 | C30 | C31 | H32 | 173.0° | 175.0° |
| O29 | C30 | C31 | H33 | 53.0° | 55.0° |
| O29 | C28 | C27 | H10 | 120.1° | 120.0° |
| O29 | C28 | C27 | H11 | 120.1° | 120.0° |
| O29 | C28 | C27 | O26 | 102.1° | 65.0° |
| O29 | C28 | H10 | H11 | 119.7° | 120.0° |
| O29 | C28 | C27 | H28 | 137.9° | 175.0° |
| O29 | C28 | C27 | H29 | 17.8° | 55.0° |
| C28 | O29 | C30 | H30 | 74.3° | 60.0° |
| C28 | O29 | C30 | H31 | 45.8° | 60.0° |
| C28 | C27 | O26 | H28 | 120.0° | 120.1° |
| C28 | C27 | O26 | H29 | 120.0° | 120.0° |
| C28 | C27 | O26 | C25 | 162.6° | 180.0° |
| C27 | C28 | H10 | H11 | 119.8° | 120.0° |
| C28 | C27 | H28 | H29 | 120.1° | 120.0° |
| C27 | O26 | C25 | C24 | 117.0° | 180.0° |
| O26 | C27 | C28 | H10 | 18.0° | 175.0° |
| O26 | C27 | C28 | H11 | 137.8° | 55.0° |
| C27 | O26 | C25 | H26 | 2.7° | 60.0° |
| C27 | O26 | C25 | H27 | 123.2° | 60.0° |
| O26 | C27 | H28 | H29 | 120.1° | 119.9° |
| O26 | C25 | C24 | H26 | 119.7° | 120.0° |
| O26 | C25 | C24 | H27 | 119.7° | 120.0° |
| O26 | C25 | C24 | O23 | 179.2° | 65.1° |
| O26 | C25 | C24 | H8 | 59.0° | 55.0° |
| O26 | C25 | C24 | H9 | 60.5° | 175.0° |
| O26 | C25 | H26 | H27 | 120.8° | 120.0° |
| C25 | O26 | C27 | H28 | 42.6° | 59.9° |
| C25 | O26 | C27 | H29 | 77.4° | 60.0° |
| C25 | C24 | O23 | H8 | 120.2° | 120.1° |
| C25 | C24 | O23 | H9 | 120.2° | 120.0° |
| C25 | C24 | O23 | C22 | 166.8° | 180.0° |
| C25 | C24 | H8 | H9 | 119.4° | 120.0° |
| C24 | C25 | H26 | H27 | 120.9° | 120.1° |
| C24 | O23 | C22 | C21 | 157.0° | 180.0° |
| C24 | O23 | C22 | H6 | 36.7° | 60.0° |
| C24 | O23 | C22 | H7 | 82.7° | 60.0° |
| O23 | C24 | H8 | H9 | 119.4° | 120.0° |
| O23 | C24 | C25 | H26 | 61.0° | 175.0° |
| O23 | C24 | C25 | H27 | 59.5° | 54.9° |
| O23 | C22 | C21 | H6 | 120.3° | 120.0° |
| O23 | C22 | C21 | H7 | 120.3° | 120.0° |
| O23 | C22 | C21 | N20 | 177.0° | 65.0° |
| O23 | C22 | C21 | H4 | 62.7° | 175.0° |
| O23 | C22 | C21 | H5 | 56.7° | 55.0° |
| O23 | C22 | H6 | H7 | 119.2° | 120.0° |
| C22 | O23 | C24 | H8 | 73.0° | 60.0° |
| C22 | O23 | C24 | H9 | 46.6° | 60.0° |
| C22 | C21 | N20 | H4 | 120.3° | 120.0° |
| C22 | C21 | N20 | H5 | 120.3° | 120.1° |
| C22 | C21 | N20 | C19 | 157.0° | 179.9° |
| C22 | C21 | H4 | H5 | 119.1° | 120.0° |
| C21 | C22 | H6 | H7 | 119.2° | 120.1° |
| C22 | C21 | N20 | H25 | 23.0° | 0.0° |
| C21 | N20 | C19 | H25 | 180.0° | 179.9° |
| C21 | N20 | C19 | O46 | 1.1° | 0.1° |
| C21 | N20 | C19 | C18 | 179.6° | 180.0° |
| N20 | C21 | H4 | H5 | 119.1° | 120.0° |
| N20 | C21 | C22 | H6 | 56.7° | 175.0° |
| N20 | C21 | C22 | H7 | 62.7° | 55.0° |
| N20 | C19 | O46 | C18 | 178.5° | 179.9° |
| N20 | C19 | C18 | N17 | 136.3° | 179.9° |
| C19 | N20 | C21 | H4 | 36.6° | 59.9° |
| C19 | N20 | C21 | H5 | 82.8° | 60.0° |
| N20 | C19 | C18 | H23 | 103.2° | 60.0° |
| N20 | C19 | C18 | H24 | 15.9° | 59.9° |
| O46 | C19 | C18 | N17 | 42.2° | 0.0° |
| O46 | C19 | C18 | H23 | 78.2° | 120.1° |
| O46 | C19 | C18 | H24 | 162.6° | 120.0° |
| O46 | C19 | N20 | H25 | 178.9° | 180.0° |
| C19 | C18 | N17 | H23 | 120.4° | 120.0° |
| C19 | C18 | N17 | H24 | 120.4° | 120.0° |
| C19 | C18 | N17 | C47 | 63.5° | 65.7° |
| C19 | C18 | N17 | C16 | 167.1° | 170.0° |
| C19 | C18 | H23 | H24 | 118.7° | 120.0° |
| C18 | C19 | N20 | H25 | 0.3° | 0.1° |
| C18 | N17 | C47 | C16 | 131.3° | 124.2° |
| C18 | N17 | C47 | C48 | 171.3° | 172.6° |
| C18 | N17 | C16 | C15 | 172.7° | 172.7° |
| C18 | N17 | C16 | H20 | 52.4° | 67.3° |
| C18 | N17 | C16 | H21 | 67.0° | 52.7° |
| N17 | C18 | H23 | H24 | 118.7° | 120.0° |
| C18 | N17 | C47 | H50 | 68.6° | 67.3° |
| C18 | N17 | C47 | H51 | 51.1° | 52.7° |
| N17 | C47 | C48 | H50 | 120.2° | 120.0° |
| N17 | C47 | C48 | H51 | 120.2° | 119.9° |
| N17 | C47 | C48 | N14 | 59.0° | 53.9° |
| C47 | N17 | C16 | C15 | 55.7° | 63.1° |
| C47 | N17 | C16 | H20 | 176.0° | 56.9° |
| C47 | N17 | C16 | H21 | 64.7° | 176.9° |
| C47 | N17 | C18 | H23 | 176.1° | 54.4° |
| C47 | N17 | C18 | H24 | 56.9° | 174.3° |
| N17 | C47 | H50 | H51 | 119.5° | 120.0° |
| N17 | C47 | C48 | H52 | 179.3° | 65.9° |
| N17 | C47 | C48 | H53 | 61.4° | 173.5° |
| C48 | C47 | N17 | C16 | 57.5° | 63.2° |
| C47 | C48 | N14 | H52 | 120.3° | 119.7° |
| C47 | C48 | N14 | H53 | 120.3° | 119.6° |
| C47 | C48 | N14 | C15 | 56.5° | 51.1° |
| C47 | C48 | N14 | C13 | 123.5° | 128.9° |
| C48 | C47 | H50 | H51 | 119.5° | 120.1° |
| C47 | C48 | H52 | H53 | 119.0° | 120.5° |
| N17 | C16 | C15 | H20 | 120.3° | 119.9° |
| N17 | C16 | C15 | H21 | 120.3° | 120.0° |
| N17 | C16 | C15 | N14 | 55.2° | 53.7° |
| N17 | C16 | C15 | H2 | 65.3° | 173.5° |
| N17 | C16 | C15 | H3 | 175.6° | 66.0° |
| N17 | C16 | H20 | H21 | 119.1° | 120.0° |
| C16 | N17 | C18 | H23 | 46.7° | 70.0° |
| C16 | N17 | C18 | H24 | 72.5° | 50.0° |
| C16 | N17 | C47 | H50 | 62.7° | 56.9° |
| C16 | N17 | C47 | H51 | 177.7° | 176.9° |
| C48 | N14 | C15 | C16 | 54.5° | 51.1° |
| C48 | N14 | C15 | C13 | 180.0° | 179.9° |
| C48 | N14 | C13 | C12 | 0.4° | 0.0° |
| C48 | N14 | C13 | O49 | 180.0° | 179.9° |
| C48 | N14 | C15 | H2 | 66.0° | 170.9° |
| C48 | N14 | C15 | H3 | 174.9° | 68.7° |
| N14 | C48 | C47 | H50 | 61.2° | 66.1° |
| N14 | C48 | C47 | H51 | 179.1° | 173.8° |
| N14 | C48 | H52 | H53 | 119.0° | 120.5° |
| C16 | C15 | N14 | H2 | 120.4° | 119.8° |
| C16 | C15 | N14 | H3 | 120.4° | 119.8° |
| C16 | C15 | N14 | C13 | 125.5° | 128.9° |
| C16 | C15 | H2 | H3 | 118.7° | 120.4° |
| C15 | C16 | H20 | H21 | 119.1° | 120.1° |
| F07 | C06 | C05 | C08 | 179.4° | 180.0° |
| F07 | C06 | C08 | C09 | 0.5° | 0.1° |
| F07 | C06 | C05 | C03 | 179.4° | 180.0° |
| F07 | C06 | C08 | C50 | 179.3° | 179.8° |
| F07 | C06 | C05 | H12 | 0.6° | 0.0° |
| C15 | N14 | C13 | C12 | 179.6° | 180.0° |
| C15 | N14 | C13 | O49 | 0.0° | 0.0° |
| N14 | C15 | H2 | H3 | 118.7° | 120.4° |
| N14 | C15 | C16 | H20 | 175.5° | 66.2° |
| N14 | C15 | C16 | H21 | 65.1° | 173.7° |
| C15 | N14 | C48 | H52 | 176.8° | 68.6° |
| C15 | N14 | C48 | H53 | 63.9° | 170.8° |
| N14 | C13 | C12 | O49 | 179.6° | 180.0° |
| N14 | C13 | C12 | C10 | 146.4° | 180.0° |
| C13 | N14 | C15 | H2 | 114.1° | 9.1° |
| C13 | N14 | C15 | H3 | 5.1° | 111.3° |
| N14 | C13 | C12 | H18 | 25.8° | 60.0° |
| N14 | C13 | C12 | H19 | 93.0° | 60.0° |
| C13 | N14 | C48 | H52 | 3.2° | 111.3° |
| C13 | N14 | C48 | H53 | 116.1° | 9.3° |
| C05 | C06 | C08 | C09 | 179.9° | 180.0° |
| C06 | C05 | C03 | H12 | 180.0° | 180.0° |
| C05 | C06 | C08 | C50 | 0.2° | 0.3° |
| C06 | C05 | C03 | F04 | 179.5° | 180.0° |
| C06 | C05 | C03 | C02 | 0.1° | 0.1° |
| C06 | C08 | C09 | C10 | 101.1° | 85.0° |
| C06 | C08 | C09 | C50 | 179.8° | 179.7° |
| C08 | C06 | C05 | C03 | 0.0° | 0.1° |
| C06 | C08 | C50 | C02 | 0.1° | 0.5° |
| C08 | C06 | C05 | H12 | 180.0° | 180.0° |
| C06 | C08 | C09 | H13 | 138.6° | 35.0° |
| C06 | C08 | C09 | H14 | 19.1° | 155.0° |
| C06 | C08 | C50 | H54 | 179.8° | 180.0° |
| C13 | C12 | C10 | H18 | 120.6° | 119.9° |
| C13 | C12 | C10 | H19 | 120.6° | 120.0° |
| C13 | C12 | C10 | N11 | 162.2° | 65.0° |
| C13 | C12 | C10 | C09 | 44.0° | 175.0° |
| C13 | C12 | C10 | H1 | 76.5° | 55.0° |
| C13 | C12 | H18 | H19 | 118.2° | 120.0° |
| C12 | C10 | N11 | C09 | 121.4° | 120.0° |
| C12 | C10 | N11 | H1 | 120.4° | 120.0° |
| C10 | C12 | C13 | O49 | 33.2° | 0.0° |
| C12 | C10 | C09 | H1 | 120.2° | 120.0° |
| C12 | C10 | C09 | C08 | 169.7° | 175.0° |
| C12 | C10 | C09 | H13 | 70.0° | 55.0° |
| C12 | C10 | C09 | H14 | 49.4° | 65.0° |
| C12 | C10 | N11 | H15 | 180.0° | 60.1° |
| C12 | C10 | N11 | H16 | 60.0° | 63.9° |
| C10 | C12 | H18 | H19 | 118.2° | 120.1° |
| N11 | C10 | C09 | H1 | 118.8° | 120.0° |
| N11 | C10 | C09 | C08 | 48.7° | 65.0° |
| N11 | C10 | C09 | H13 | 169.0° | 175.0° |
| N11 | C10 | C09 | H14 | 71.5° | 55.1° |
| C10 | N11 | H15 | H16 | 120.0° | 124.0° |
| N11 | C10 | C12 | H18 | 41.7° | 55.0° |
| N11 | C10 | C12 | H19 | 77.2° | 175.1° |
| O49 | C13 | C12 | H18 | 153.8° | 120.0° |
| O49 | C13 | C12 | H19 | 87.4° | 120.0° |
| C10 | C09 | C08 | H13 | 120.3° | 120.0° |
| C10 | C09 | C08 | H14 | 120.3° | 120.0° |
| C10 | C09 | C08 | C50 | 79.1° | 94.7° |
| C10 | C09 | H13 | H14 | 119.2° | 120.0° |
| C09 | C10 | N11 | H15 | 58.7° | 60.0° |
| C09 | C10 | N11 | H16 | 61.4° | 176.1° |
| C09 | C10 | C12 | H18 | 76.5° | 65.1° |
| C09 | C10 | C12 | H19 | 164.6° | 55.0° |
| C09 | C08 | C50 | C02 | 179.9° | 179.8° |
| C08 | C09 | C10 | H1 | 70.1° | 55.0° |
| C08 | C09 | H13 | H14 | 119.2° | 120.0° |
| C09 | C08 | C50 | H54 | 0.1° | 0.3° |
| C05 | C03 | F04 | C02 | 179.4° | 179.9° |
| C05 | C03 | C02 | C50 | 0.1° | 0.3° |
| C05 | C03 | C02 | F01 | 180.0° | 180.0° |
| C08 | C50 | C02 | C03 | 0.0° | 0.5° |
| C08 | C50 | C02 | H54 | 180.0° | 179.5° |
| C08 | C50 | C02 | F01 | 179.8° | 179.8° |
| C50 | C08 | C09 | H13 | 41.2° | 145.3° |
| C50 | C08 | C09 | H14 | 160.6° | 25.3° |
| F04 | C03 | C02 | C50 | 179.5° | 179.7° |
| F04 | C03 | C02 | F01 | 0.7° | 0.1° |
| F04 | C03 | C05 | H12 | 0.5° | 0.0° |
| C03 | C02 | C50 | F01 | 179.8° | 179.7° |
| C02 | C03 | C05 | H12 | 179.9° | 180.0° |
| C03 | C02 | C50 | H54 | 180.0° | 179.9° |
| F01 | C02 | C50 | H54 | 0.2° | 0.3° |
| H1 | C10 | C09 | H13 | 50.2° | 65.0° |
| H1 | C10 | C09 | H14 | 169.6° | 175.0° |
| H1 | C10 | N11 | H15 | 59.6° | 180.0° |
| H1 | C10 | N11 | H16 | 179.6° | 56.1° |
| H1 | C10 | C12 | H18 | 162.9° | 174.9° |
| H1 | C10 | C12 | H19 | 44.1° | 65.0° |
| H2 | C15 | C16 | H20 | 55.0° | 53.6° |
| H2 | C15 | C16 | H21 | 174.4° | 66.5° |
| H3 | C15 | C16 | H20 | 64.1° | 174.0° |
| H3 | C15 | C16 | H21 | 55.3° | 53.9° |
| H4 | C21 | C22 | H6 | 177.0° | 55.0° |
| H4 | C21 | C22 | H7 | 57.6° | 65.0° |
| H4 | C21 | N20 | H25 | 143.3° | 120.0° |
| H5 | C21 | C22 | H6 | 63.5° | 64.9° |
| H5 | C21 | C22 | H7 | 177.0° | 175.0° |
| H5 | C21 | N20 | H25 | 97.2° | 120.1° |
| H8 | C24 | C25 | H26 | 178.8° | 65.0° |
| H8 | C24 | C25 | H27 | 60.7° | 175.0° |
| H9 | C24 | C25 | H26 | 59.2° | 55.0° |
| H9 | C24 | C25 | H27 | 179.8° | 65.0° |
| H10 | C28 | C27 | H28 | 102.0° | 55.0° |
| H10 | C28 | C27 | H29 | 137.9° | 65.0° |
| H11 | C28 | C27 | H28 | 17.8° | 65.0° |
| H11 | C28 | C27 | H29 | 102.2° | 175.0° |
| H30 | C30 | C31 | H32 | 67.1° | 64.9° |
| H30 | C30 | C31 | H33 | 172.9° | 175.0° |
| H31 | C30 | C31 | H32 | 53.1° | 55.0° |
| H31 | C30 | C31 | H33 | 66.9° | 65.0° |
| H34 | C33 | C34 | H36 | 137.3° | 65.0° |
| H34 | C33 | C34 | H37 | 102.7° | 175.0° |
| H35 | C33 | C34 | H36 | 17.8° | 55.0° |
| H35 | C33 | C34 | H37 | 137.7° | 65.0° |
| H38 | C36 | C37 | H40 | 175.8° | 65.0° |
| H38 | C36 | C37 | H41 | 55.7° | 175.0° |
| H39 | C36 | C37 | H40 | 64.4° | 55.0° |
| H39 | C36 | C37 | H41 | 175.4° | 65.0° |
| H42 | C39 | C40 | H44 | 111.4° | 65.0° |
| H42 | C39 | C40 | H45 | 129.5° | 175.0° |
| H43 | C39 | C40 | H44 | 128.9° | 55.0° |
| H43 | C39 | C40 | H45 | 9.8° | 65.0° |
| H44 | C40 | N41 | H46 | 110.1° | 120.0° |
| H45 | C40 | N41 | H46 | 130.7° | 120.0° |
| H47 | C43 | H48 | H49 | 120.0° | 120.0° |
| H50 | C47 | C48 | H52 | 59.1° | 174.1° |
| H50 | C47 | C48 | H53 | 178.5° | 53.6° |
| H51 | C47 | C48 | H52 | 60.5° | 54.0° |
| H51 | C47 | C48 | H53 | 58.8° | 66.6° |
