A1INB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C44 | C43 | sing | 1.53Å | 1.53Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C43 | C42 | sing | 1.53Å | 1.53Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C42 | C41 | sing | 1.53Å | 1.53Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C41 | C40 | sing | 1.53Å | 1.32Å | |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C40 | C39 | sing | 1.53Å | 1.53Å | |
| C10 | C09 | sing | 1.53Å | 1.53Å | |
| C39 | C38 | sing | 1.53Å | 1.53Å | |
| C09 | C08 | sing | 1.53Å | 1.53Å | |
| C38 | C37 | sing | 1.53Å | 1.53Å | |
| C08 | C07 | sing | 1.53Å | 1.53Å | |
| C37 | C36 | sing | 1.53Å | 1.53Å | |
| C07 | C06 | sing | 1.53Å | 1.53Å | |
| C36 | C35 | sing | 1.53Å | 1.53Å | |
| C06 | C04 | sing | 1.51Å | 1.53Å | |
| C35 | C34 | sing | 1.53Å | 1.53Å | |
| C04 | O05 | doub | 1.21Å | 1.18Å | |
| C04 | O03 | sing | 1.34Å | 1.40Å | |
| C34 | C33 | sing | 1.53Å | 1.53Å | |
| O03 | C02 | sing | 1.45Å | 1.40Å | |
| C33 | C31 | sing | 1.51Å | 1.53Å | |
| C02 | C01 | sing | 1.53Å | 1.53Å | |
| C01 | O30 | sing | 1.45Å | 1.40Å | |
| C01 | C21 | sing | 1.53Å | 1.53Å | |
| C31 | O32 | doub | 1.21Å | 1.19Å | |
| C31 | O30 | sing | 1.34Å | 1.40Å | |
| C21 | O22 | sing | 1.43Å | 1.40Å | |
| O22 | P23 | sing | 1.61Å | 1.65Å | |
| O25 | P23 | doub | 1.48Å | 1.51Å | |
| P23 | O24 | sing | 1.61Å | 1.51Å | |
| P23 | O26 | sing | 1.61Å | 1.65Å | |
| O26 | C27 | sing | 1.43Å | 1.40Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| N29 | C28 | sing | 1.47Å | 1.45Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C02 | H2 | sing | 1.09Å | 1.10Å | |
| C02 | H3 | sing | 1.09Å | 1.10Å | |
| C06 | H4 | sing | 1.09Å | 1.10Å | |
| C06 | H5 | sing | 1.09Å | 1.10Å | |
| C07 | H6 | sing | 1.09Å | 1.10Å | |
| C07 | H7 | sing | 1.09Å | 1.10Å | |
| C08 | H8 | sing | 1.09Å | 1.10Å | |
| C08 | H9 | sing | 1.09Å | 1.10Å | |
| C09 | H10 | sing | 1.09Å | 1.10Å | |
| C09 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| C15 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| C21 | H27 | sing | 1.09Å | 1.10Å | |
| C21 | H28 | sing | 1.09Å | 1.10Å | |
| C27 | H29 | sing | 1.09Å | 1.10Å | |
| C27 | H30 | sing | 1.09Å | 1.10Å | |
| C28 | H31 | sing | 1.09Å | 1.10Å | |
| C28 | H32 | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H34 | sing | 1.09Å | 1.10Å | |
| C34 | H35 | sing | 1.09Å | 1.10Å | |
| C34 | H36 | sing | 1.09Å | 1.10Å | |
| C35 | H37 | sing | 1.09Å | 1.10Å | |
| C35 | H38 | sing | 1.09Å | 1.10Å | |
| C36 | H39 | sing | 1.09Å | 1.10Å | |
| C36 | H40 | sing | 1.09Å | 1.10Å | |
| C37 | H41 | sing | 1.09Å | 1.10Å | |
| C37 | H42 | sing | 1.09Å | 1.10Å | |
| C38 | H43 | sing | 1.09Å | 1.10Å | |
| C38 | H44 | sing | 1.09Å | 1.10Å | |
| C39 | H45 | sing | 1.09Å | 1.10Å | |
| C39 | H46 | sing | 1.09Å | 1.10Å | |
| C40 | H47 | sing | 1.09Å | 1.10Å | |
| C41 | H48 | sing | 1.09Å | 1.10Å | |
| C42 | H49 | sing | 1.09Å | 1.10Å | |
| C42 | H50 | sing | 1.09Å | 1.10Å | |
| C43 | H51 | sing | 1.09Å | 1.10Å | |
| C43 | H52 | sing | 1.09Å | 1.10Å | |
| C44 | H53 | sing | 1.09Å | 1.10Å | |
| C44 | H54 | sing | 1.09Å | 1.10Å | |
| C44 | H55 | sing | 1.09Å | 1.10Å | |
| N29 | H56 | sing | 1.01Å | 1.00Å | |
| N29 | H57 | sing | 1.01Å | 1.00Å | |
| O24 | H59 | sing | 0.97Å | 0.95Å | |
| C40 | H58 | sing | 1.09Å | 1.10Å | |
| C41 | H60 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | C15 | C14 | 112.4° | 109.5° |
| C16 | C15 | H22 | 108.7° | 109.4° |
| C16 | C15 | H23 | 108.7° | 109.5° |
| C15 | C16 | H24 | 109.5° | 109.5° |
| C15 | C16 | H25 | 109.4° | 109.5° |
| C15 | C16 | H26 | 109.5° | 109.5° |
| C15 | C14 | C13 | 112.1° | 109.5° |
| C15 | C14 | H20 | 108.8° | 109.5° |
| C15 | C14 | H21 | 108.8° | 109.5° |
| C14 | C15 | H22 | 108.7° | 109.4° |
| C14 | C15 | H23 | 108.7° | 109.5° |
| C44 | C43 | C42 | 112.1° | 109.5° |
| C44 | C43 | H51 | 108.8° | 109.5° |
| C44 | C43 | H52 | 108.8° | 109.5° |
| C43 | C44 | H53 | 109.5° | 109.5° |
| C43 | C44 | H54 | 109.5° | 109.4° |
| C43 | C44 | H55 | 109.5° | 109.4° |
| C14 | C13 | C12 | 112.7° | 109.5° |
| C14 | C13 | H18 | 108.6° | 109.5° |
| C14 | C13 | H19 | 108.7° | 109.5° |
| C13 | C14 | H20 | 108.8° | 109.5° |
| C13 | C14 | H21 | 108.8° | 109.5° |
| C43 | C42 | C41 | 109.7° | 109.5° |
| C43 | C42 | H49 | 109.4° | 109.5° |
| C43 | C42 | H50 | 109.4° | 109.5° |
| C42 | C43 | H51 | 108.8° | 109.5° |
| C42 | C43 | H52 | 108.8° | 109.4° |
| C13 | C12 | C11 | 112.5° | 109.5° |
| C13 | C12 | H16 | 108.7° | 109.5° |
| C13 | C12 | H17 | 108.7° | 109.5° |
| C12 | C13 | H18 | 108.6° | 109.5° |
| C12 | C13 | H19 | 108.6° | 109.5° |
| C42 | C41 | C40 | 119.6° | 109.5° |
| C42 | C41 | H48 | 106.9° | 109.5° |
| C41 | C42 | H49 | 109.4° | 109.5° |
| C41 | C42 | H50 | 109.4° | 109.4° |
| C42 | C41 | H60 | 106.9° | 109.4° |
| C12 | C11 | C10 | 111.9° | 109.5° |
| C12 | C11 | H14 | 108.8° | 109.5° |
| C12 | C11 | H15 | 108.8° | 109.5° |
| C11 | C12 | H16 | 108.7° | 109.5° |
| C11 | C12 | H17 | 108.7° | 109.5° |
| C41 | C40 | C39 | 120.1° | 109.5° |
| C41 | C40 | H47 | 106.8° | 109.5° |
| C40 | C41 | H48 | 106.9° | 109.5° |
| C41 | C40 | H58 | 106.8° | 109.4° |
| C40 | C41 | H60 | 106.9° | 109.5° |
| C11 | C10 | C09 | 112.9° | 109.5° |
| C11 | C10 | H12 | 108.6° | 109.4° |
| C11 | C10 | H13 | 108.6° | 109.5° |
| C10 | C11 | H14 | 108.9° | 109.5° |
| C10 | C11 | H15 | 108.9° | 109.5° |
| C40 | C39 | C38 | 109.3° | 109.5° |
| C40 | C39 | H45 | 109.5° | 109.4° |
| C40 | C39 | H46 | 109.5° | 109.5° |
| C39 | C40 | H47 | 106.7° | 109.5° |
| C39 | C40 | H58 | 106.7° | 109.5° |
| C10 | C09 | C08 | 112.1° | 109.5° |
| C10 | C09 | H10 | 108.8° | 109.5° |
| C10 | C09 | H11 | 108.8° | 109.5° |
| C09 | C10 | H12 | 108.6° | 109.5° |
| C09 | C10 | H13 | 108.6° | 109.5° |
| C39 | C38 | C37 | 112.5° | 109.5° |
| C39 | C38 | H43 | 108.7° | 109.5° |
| C39 | C38 | H44 | 108.7° | 109.5° |
| C38 | C39 | H45 | 109.5° | 109.5° |
| C38 | C39 | H46 | 109.5° | 109.5° |
| C09 | C08 | C07 | 112.0° | 109.5° |
| C09 | C08 | H8 | 108.8° | 109.5° |
| C09 | C08 | H9 | 108.8° | 109.5° |
| C08 | C09 | H10 | 108.8° | 109.5° |
| C08 | C09 | H11 | 108.8° | 109.5° |
| C38 | C37 | C36 | 112.3° | 109.5° |
| C38 | C37 | H41 | 108.8° | 109.4° |
| C38 | C37 | H42 | 108.8° | 109.5° |
| C37 | C38 | H43 | 108.7° | 109.4° |
| C37 | C38 | H44 | 108.7° | 109.5° |
| C08 | C07 | C06 | 112.8° | 109.5° |
| C08 | C07 | H6 | 108.7° | 109.5° |
| C08 | C07 | H7 | 108.6° | 109.5° |
| C07 | C08 | H8 | 108.8° | 109.5° |
| C07 | C08 | H9 | 108.9° | 109.5° |
| C37 | C36 | C35 | 112.1° | 109.5° |
| C37 | C36 | H39 | 108.8° | 109.5° |
| C37 | C36 | H40 | 108.8° | 109.5° |
| C36 | C37 | H41 | 108.8° | 109.5° |
| C36 | C37 | H42 | 108.8° | 109.4° |
| C07 | C06 | C04 | 111.9° | 109.5° |
| C07 | C06 | H4 | 108.9° | 109.5° |
| C07 | C06 | H5 | 108.8° | 109.5° |
| C06 | C07 | H6 | 108.6° | 109.5° |
| C06 | C07 | H7 | 108.7° | 109.5° |
| C36 | C35 | C34 | 112.8° | 109.5° |
| C36 | C35 | H37 | 108.7° | 109.5° |
| C36 | C35 | H38 | 108.6° | 109.4° |
| C35 | C36 | H39 | 108.8° | 109.5° |
| C35 | C36 | H40 | 108.8° | 109.4° |
| C06 | C04 | O05 | 119.7° | 120.0° |
| C06 | C04 | O03 | 120.6° | 120.0° |
| C04 | C06 | H4 | 108.9° | 109.4° |
| C04 | C06 | H5 | 108.9° | 109.5° |
| C35 | C34 | C33 | 111.8° | 109.5° |
| C35 | C34 | H35 | 108.9° | 109.4° |
| C35 | C34 | H36 | 108.9° | 109.5° |
| C34 | C35 | H37 | 108.7° | 109.4° |
| C34 | C35 | H38 | 108.6° | 109.5° |
| O05 | C04 | O03 | 119.7° | 120.0° |
| C04 | O03 | C02 | 113.3° | 117.0° |
| C34 | C33 | C31 | 112.9° | 109.5° |
| C34 | C33 | H33 | 108.6° | 109.5° |
| C34 | C33 | H34 | 108.6° | 109.5° |
| C33 | C34 | H35 | 108.9° | 109.4° |
| C33 | C34 | H36 | 108.9° | 109.4° |
| O03 | C02 | C01 | 109.0° | 109.5° |
| O03 | C02 | H2 | 109.6° | 109.5° |
| O03 | C02 | H3 | 109.6° | 109.5° |
| C33 | C31 | O32 | 120.2° | 120.0° |
| C33 | C31 | O30 | 119.7° | 120.0° |
| C31 | C33 | H33 | 108.6° | 109.4° |
| C31 | C33 | H34 | 108.6° | 109.5° |
| C02 | C01 | O30 | 109.4° | 109.5° |
| C02 | C01 | C21 | 109.6° | 109.4° |
| C02 | C01 | H1 | 108.9° | 109.5° |
| C01 | C02 | H2 | 109.6° | 109.4° |
| C01 | C02 | H3 | 109.6° | 109.5° |
| O30 | C01 | C21 | 109.5° | 109.5° |
| C01 | O30 | C31 | 113.4° | 117.0° |
| O30 | C01 | H1 | 110.6° | 109.5° |
| C01 | C21 | O22 | 108.7° | 109.5° |
| C21 | C01 | H1 | 108.9° | 109.5° |
| C01 | C21 | H27 | 109.7° | 109.4° |
| C01 | C21 | H28 | 109.7° | 109.4° |
| O32 | C31 | O30 | 120.1° | 120.0° |
| C21 | O22 | P23 | 118.6° | 123.0° |
| O22 | C21 | H27 | 109.6° | 109.5° |
| O22 | C21 | H28 | 109.6° | 109.5° |
| O22 | P23 | O25 | 109.7° | 109.5° |
| O22 | P23 | O24 | 109.5° | 109.4° |
| O22 | P23 | O26 | 109.6° | 109.5° |
| O25 | P23 | O24 | 109.4° | 109.4° |
| O25 | P23 | O26 | 109.3° | 109.5° |
| O24 | P23 | O26 | 109.3° | 109.5° |
| P23 | O24 | H59 | 109.5° | 114.0° |
| P23 | O26 | C27 | 118.4° | 123.0° |
| O26 | C27 | C28 | 108.2° | 109.5° |
| O26 | C27 | H29 | 109.7° | 109.5° |
| O26 | C27 | H30 | 109.8° | 109.5° |
| C27 | C28 | N29 | 110.4° | 109.5° |
| C28 | C27 | H29 | 109.8° | 109.5° |
| C28 | C27 | H30 | 109.8° | 109.4° |
| C27 | C28 | H31 | 109.3° | 109.5° |
| C27 | C28 | H32 | 109.3° | 109.4° |
| N29 | C28 | H31 | 109.2° | 109.5° |
| N29 | C28 | H32 | 109.2° | 109.5° |
| C28 | N29 | H56 | 109.5° | 111.0° |
| C28 | N29 | H57 | 109.4° | 111.0° |
| H2 | C02 | H3 | 109.5° | 109.5° |
| H4 | C06 | H5 | 109.5° | 109.4° |
| H6 | C07 | H7 | 109.5° | 109.5° |
| H8 | C08 | H9 | 109.4° | 109.5° |
| H10 | C09 | H11 | 109.4° | 109.5° |
| H12 | C10 | H13 | 109.5° | 109.5° |
| H14 | C11 | H15 | 109.5° | 109.5° |
| H16 | C12 | H17 | 109.5° | 109.5° |
| H18 | C13 | H19 | 109.5° | 109.5° |
| H20 | C14 | H21 | 109.5° | 109.5° |
| H22 | C15 | H23 | 109.5° | 109.5° |
| H24 | C16 | H25 | 109.5° | 109.5° |
| H24 | C16 | H26 | 109.5° | 109.5° |
| H25 | C16 | H26 | 109.5° | 109.4° |
| H27 | C21 | H28 | 109.5° | 109.4° |
| H29 | C27 | H30 | 109.5° | 109.5° |
| H31 | C28 | H32 | 109.5° | 109.5° |
| H33 | C33 | H34 | 109.5° | 109.5° |
| H35 | C34 | H36 | 109.5° | 109.5° |
| H37 | C35 | H38 | 109.5° | 109.5° |
| H39 | C36 | H40 | 109.5° | 109.5° |
| H41 | C37 | H42 | 109.5° | 109.5° |
| H43 | C38 | H44 | 109.5° | 109.5° |
| H45 | C39 | H46 | 109.5° | 109.4° |
| H47 | C40 | H58 | 109.5° | 109.5° |
| H48 | C41 | H60 | 109.5° | 109.5° |
| H49 | C42 | H50 | 109.4° | 109.5° |
| H51 | C43 | H52 | 109.5° | 109.5° |
| H53 | C44 | H54 | 109.5° | 109.5° |
| H53 | C44 | H55 | 109.5° | 109.5° |
| H54 | C44 | H55 | 109.5° | 109.5° |
| H56 | N29 | H57 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | C15 | C14 | H22 | 120.4° | 119.9° |
| C16 | C15 | C14 | H23 | 120.4° | 120.0° |
| C16 | C15 | C14 | C13 | 111.1° | NaN° |
| C16 | C15 | C14 | H20 | 9.3° | 60.0° |
| C16 | C15 | C14 | H21 | 128.5° | 60.0° |
| C16 | C15 | H22 | H23 | 118.7° | 120.0° |
| C15 | C16 | H24 | H25 | 120.0° | 120.0° |
| C15 | C16 | H24 | H26 | 120.0° | 120.0° |
| C15 | C16 | H25 | H26 | 120.0° | 120.0° |
| C15 | C14 | C13 | H20 | 120.4° | 120.0° |
| C15 | C14 | C13 | H21 | 120.4° | 120.1° |
| C15 | C14 | C13 | C12 | 133.9° | 180.0° |
| C15 | C14 | C13 | H18 | 13.4° | 60.0° |
| C15 | C14 | C13 | H19 | 105.7° | 60.0° |
| C15 | C14 | H20 | H21 | 118.8° | 120.0° |
| C14 | C15 | H22 | H23 | 118.7° | 120.0° |
| C14 | C15 | C16 | H24 | 180.0° | 60.0° |
| C14 | C15 | C16 | H25 | 60.0° | 180.0° |
| C14 | C15 | C16 | H26 | 60.0° | 60.0° |
| C44 | C43 | C42 | H51 | 120.4° | 120.0° |
| C44 | C43 | C42 | H52 | 120.4° | 120.0° |
| C44 | C43 | C42 | C41 | 175.5° | 180.0° |
| C44 | C43 | C42 | H49 | 64.4° | 60.0° |
| C44 | C43 | C42 | H50 | 55.5° | 60.0° |
| C44 | C43 | H51 | H52 | 118.8° | 120.0° |
| C43 | C44 | H53 | H54 | 120.0° | 120.0° |
| C43 | C44 | H53 | H55 | 120.0° | 120.0° |
| C43 | C44 | H54 | H55 | 120.0° | 120.0° |
| C14 | C13 | C12 | H18 | 120.5° | 120.0° |
| C14 | C13 | C12 | H19 | 120.5° | 120.0° |
| C14 | C13 | C12 | C11 | 95.6° | NaN° |
| C14 | C13 | C12 | H16 | 24.8° | 60.0° |
| C14 | C13 | C12 | H17 | 143.9° | 60.0° |
| C14 | C13 | H18 | H19 | 118.6° | 120.0° |
| C13 | C14 | H20 | H21 | 118.8° | 120.0° |
| C13 | C14 | C15 | H22 | 128.5° | 60.1° |
| C13 | C14 | C15 | H23 | 9.3° | 60.0° |
| C43 | C42 | C41 | H49 | 120.0° | 120.0° |
| C43 | C42 | C41 | H50 | 120.0° | 120.0° |
| C43 | C42 | C41 | C40 | 177.7° | 180.0° |
| C43 | C42 | C41 | H48 | 56.2° | 60.0° |
| C43 | C42 | H49 | H50 | 119.9° | 120.1° |
| C42 | C43 | H51 | H52 | 118.8° | 120.0° |
| C42 | C43 | C44 | H53 | 180.0° | 180.0° |
| C42 | C43 | C44 | H54 | 60.0° | 60.0° |
| C42 | C43 | C44 | H55 | 60.0° | 60.0° |
| C43 | C42 | C41 | H60 | 60.9° | 60.0° |
| C13 | C12 | C11 | H16 | 120.5° | 120.0° |
| C13 | C12 | C11 | H17 | 120.5° | 120.0° |
| C13 | C12 | C11 | C10 | 101.2° | 180.0° |
| C13 | C12 | C11 | H14 | 19.2° | 60.0° |
| C13 | C12 | C11 | H15 | 138.4° | 60.0° |
| C13 | C12 | H16 | H17 | 118.6° | 120.0° |
| C12 | C13 | H18 | H19 | 118.5° | 120.0° |
| C12 | C13 | C14 | H20 | 105.8° | 60.0° |
| C12 | C13 | C14 | H21 | 13.5° | 60.0° |
| C42 | C41 | C40 | H48 | 121.4° | 120.0° |
| C42 | C41 | C40 | H60 | 121.5° | 119.9° |
| C42 | C41 | C40 | C39 | 179.9° | 180.0° |
| C42 | C41 | C40 | H47 | 58.6° | 59.9° |
| C42 | C41 | H48 | H60 | 115.4° | 119.9° |
| C41 | C42 | H49 | H50 | 119.9° | 119.9° |
| C41 | C42 | C43 | H51 | 55.1° | 59.9° |
| C41 | C42 | C43 | H52 | 64.1° | 60.0° |
| C42 | C41 | C40 | H58 | 58.5° | 60.0° |
| C12 | C11 | C10 | H14 | 120.3° | 120.0° |
| C12 | C11 | C10 | H15 | 120.4° | 120.0° |
| C12 | C11 | C10 | C09 | 138.5° | NaN° |
| C12 | C11 | C10 | H12 | 18.0° | 60.0° |
| C12 | C11 | C10 | H13 | 101.0° | 60.0° |
| C12 | C11 | H14 | H15 | 118.9° | 120.0° |
| C11 | C12 | H16 | H17 | 118.6° | 120.0° |
| C11 | C12 | C13 | H18 | 143.9° | 60.0° |
| C11 | C12 | C13 | H19 | 24.9° | 60.0° |
| C41 | C40 | C39 | H47 | 121.5° | 120.0° |
| C41 | C40 | C39 | H58 | 121.5° | 120.0° |
| C41 | C40 | C39 | C38 | 173.1° | 180.0° |
| C41 | C40 | C39 | H45 | 66.9° | 60.0° |
| C41 | C40 | C39 | H46 | 53.1° | 60.0° |
| C41 | C40 | H47 | H58 | 115.2° | 120.0° |
| C40 | C41 | H48 | H60 | 115.4° | 120.1° |
| C40 | C41 | C42 | H49 | 62.3° | 60.0° |
| C40 | C41 | C42 | H50 | 57.6° | 60.0° |
| C11 | C10 | C09 | H12 | 120.5° | 120.0° |
| C11 | C10 | C09 | H13 | 120.5° | 120.0° |
| C11 | C10 | C09 | C08 | 100.6° | NaN° |
| C11 | C10 | C09 | H10 | 139.0° | 60.0° |
| C11 | C10 | C09 | H11 | 19.8° | 60.0° |
| C11 | C10 | H12 | H13 | 118.4° | 120.0° |
| C10 | C11 | H14 | H15 | 118.9° | 120.0° |
| C10 | C11 | C12 | H16 | 138.3° | 60.0° |
| C10 | C11 | C12 | H17 | 19.3° | 60.0° |
| C40 | C39 | C38 | H45 | 119.9° | 120.0° |
| C40 | C39 | C38 | H46 | 120.0° | 120.1° |
| C40 | C39 | C38 | C37 | 152.4° | 180.0° |
| C40 | C39 | C38 | H43 | 87.1° | 60.0° |
| C40 | C39 | C38 | H44 | 32.0° | 60.0° |
| C40 | C39 | H45 | H46 | 120.1° | 120.0° |
| C39 | C40 | H47 | H58 | 115.2° | 120.0° |
| C39 | C40 | C41 | H48 | 58.5° | 60.0° |
| C39 | C40 | C41 | H60 | 58.6° | 60.0° |
| C10 | C09 | C08 | H10 | 120.4° | 120.0° |
| C10 | C09 | C08 | H11 | 120.4° | 120.0° |
| C10 | C09 | C08 | C07 | 119.1° | NaN° |
| C10 | C09 | C08 | H8 | 120.5° | 60.0° |
| C10 | C09 | C08 | H9 | 1.4° | 60.0° |
| C10 | C09 | H10 | H11 | 118.8° | 120.0° |
| C09 | C10 | H12 | H13 | 118.4° | 120.0° |
| C09 | C10 | C11 | H14 | 101.2° | 60.0° |
| C09 | C10 | C11 | H15 | 18.1° | 60.0° |
| C39 | C38 | C37 | H43 | 120.4° | 120.0° |
| C39 | C38 | C37 | H44 | 120.4° | 120.0° |
| C39 | C38 | C37 | C36 | 163.7° | 180.0° |
| C39 | C38 | C37 | H41 | 75.9° | 60.0° |
| C39 | C38 | C37 | H42 | 43.3° | 60.0° |
| C39 | C38 | H43 | H44 | 118.6° | 120.0° |
| C38 | C39 | H45 | H46 | 120.1° | 120.0° |
| C38 | C39 | C40 | H47 | 51.6° | 60.0° |
| C38 | C39 | C40 | H58 | 65.4° | 60.0° |
| C09 | C08 | C07 | H8 | 120.4° | 120.0° |
| C09 | C08 | C07 | H9 | 120.4° | 120.0° |
| C09 | C08 | C07 | C06 | 63.7° | NaN° |
| C09 | C08 | C07 | H6 | 175.9° | 60.0° |
| C09 | C08 | C07 | H7 | 56.8° | 60.0° |
| C09 | C08 | H8 | H9 | 118.8° | 120.0° |
| C08 | C09 | H10 | H11 | 118.8° | 120.0° |
| C08 | C09 | C10 | H12 | 20.0° | 60.0° |
| C08 | C09 | C10 | H13 | 138.9° | 60.0° |
| C38 | C37 | C36 | H41 | 120.4° | 120.0° |
| C38 | C37 | C36 | H42 | 120.4° | 120.0° |
| C38 | C37 | C36 | C35 | 175.9° | 180.0° |
| C38 | C37 | C36 | H39 | 63.7° | 60.0° |
| C38 | C37 | C36 | H40 | 55.5° | 60.0° |
| C38 | C37 | H41 | H42 | 118.8° | 120.0° |
| C37 | C38 | H43 | H44 | 118.6° | 120.0° |
| C37 | C38 | C39 | H45 | 32.5° | 60.0° |
| C37 | C38 | C39 | H46 | 87.6° | 59.9° |
| C08 | C07 | C06 | H6 | 120.5° | 120.0° |
| C08 | C07 | C06 | H7 | 120.5° | 120.0° |
| C08 | C07 | C06 | C04 | 179.2° | 180.0° |
| C08 | C07 | C06 | H4 | 60.4° | 60.0° |
| C08 | C07 | C06 | H5 | 58.8° | 60.0° |
| C08 | C07 | H6 | H7 | 118.5° | 120.0° |
| C07 | C08 | H8 | H9 | 118.9° | 120.0° |
| C07 | C08 | C09 | H10 | 1.4° | 60.0° |
| C07 | C08 | C09 | H11 | 120.5° | 60.0° |
| C37 | C36 | C35 | H39 | 120.4° | 120.0° |
| C37 | C36 | C35 | H40 | 120.4° | 120.0° |
| C37 | C36 | C35 | C34 | 171.7° | 180.0° |
| C37 | C36 | C35 | H37 | 51.1° | 60.0° |
| C37 | C36 | C35 | H38 | 67.9° | 60.0° |
| C37 | C36 | H39 | H40 | 118.8° | 120.0° |
| C36 | C37 | H41 | H42 | 118.7° | 120.0° |
| C36 | C37 | C38 | H43 | 43.2° | 60.0° |
| C36 | C37 | C38 | H44 | 75.9° | 60.0° |
| C07 | C06 | C04 | H4 | 120.4° | 120.0° |
| C07 | C06 | C04 | H5 | 120.3° | 120.1° |
| C07 | C06 | C04 | O05 | 69.5° | 0.0° |
| C07 | C06 | C04 | O03 | 110.9° | 179.9° |
| C07 | C06 | H4 | H5 | 118.8° | 120.1° |
| C06 | C07 | H6 | H7 | 118.5° | 120.0° |
| C06 | C07 | C08 | H8 | 56.7° | 60.0° |
| C06 | C07 | C08 | H9 | 176.0° | 60.0° |
| C36 | C35 | C34 | H37 | 120.5° | 120.1° |
| C36 | C35 | C34 | H38 | 120.5° | 120.0° |
| C36 | C35 | C34 | C33 | 176.4° | 180.0° |
| C36 | C35 | C34 | H35 | 63.3° | 60.0° |
| C36 | C35 | C34 | H36 | 56.0° | 60.0° |
| C36 | C35 | H37 | H38 | 118.5° | 120.0° |
| C35 | C36 | H39 | H40 | 118.8° | 120.0° |
| C35 | C36 | C37 | H41 | 55.5° | 60.0° |
| C35 | C36 | C37 | H42 | 63.7° | 60.0° |
| C06 | C04 | O05 | O03 | 179.5° | 179.9° |
| C06 | C04 | O03 | C02 | 152.1° | 180.0° |
| C04 | C06 | H4 | H5 | 118.9° | 119.9° |
| C04 | C06 | C07 | H6 | 58.7° | 60.0° |
| C04 | C06 | C07 | H7 | 60.3° | 60.0° |
| C35 | C34 | C33 | H35 | 120.3° | 119.9° |
| C35 | C34 | C33 | H36 | 120.3° | 120.0° |
| C35 | C34 | C33 | C31 | 142.8° | 180.0° |
| C35 | C34 | C33 | H33 | 22.2° | 60.0° |
| C35 | C34 | C33 | H34 | 96.7° | 60.0° |
| C35 | C34 | H35 | H36 | 118.9° | 120.0° |
| C34 | C35 | H37 | H38 | 118.5° | 120.0° |
| C34 | C35 | C36 | H39 | 67.9° | 60.0° |
| C34 | C35 | C36 | H40 | 51.3° | 60.0° |
| O05 | C04 | O03 | C02 | 28.4° | 0.1° |
| O05 | C04 | C06 | H4 | 50.8° | 120.0° |
| O05 | C04 | C06 | H5 | 170.1° | 120.1° |
| C04 | O03 | C02 | C01 | 154.4° | 179.9° |
| C04 | O03 | C02 | H2 | 34.5° | 60.0° |
| C04 | O03 | C02 | H3 | 85.7° | 60.0° |
| O03 | C04 | C06 | H4 | 128.7° | 59.9° |
| O03 | C04 | C06 | H5 | 9.4° | 60.0° |
| C34 | C33 | C31 | H33 | 120.5° | 120.0° |
| C34 | C33 | C31 | H34 | 120.5° | 120.0° |
| C34 | C33 | C31 | O32 | 38.5° | 0.0° |
| C34 | C33 | C31 | O30 | 142.0° | 180.0° |
| C34 | C33 | H33 | H34 | 118.4° | 120.0° |
| C33 | C34 | H35 | H36 | 119.0° | 120.0° |
| C33 | C34 | C35 | H37 | 55.8° | 60.0° |
| C33 | C34 | C35 | H38 | 63.2° | 60.0° |
| O03 | C02 | C01 | H2 | 119.9° | 120.0° |
| O03 | C02 | C01 | H3 | 119.9° | 120.0° |
| O03 | C02 | C01 | O30 | 146.5° | 65.0° |
| O03 | C02 | C01 | C21 | 93.4° | 55.0° |
| O03 | C02 | C01 | H1 | 25.5° | 175.0° |
| O03 | C02 | H2 | H3 | 120.2° | 120.0° |
| C33 | C31 | O30 | C01 | 0.6° | 180.0° |
| C33 | C31 | O32 | O30 | 179.5° | 179.9° |
| C31 | C33 | H33 | H34 | 118.4° | 120.0° |
| C31 | C33 | C34 | H35 | 96.9° | 60.0° |
| C31 | C33 | C34 | H36 | 22.4° | 60.0° |
| C02 | C01 | O30 | C21 | 120.1° | 120.0° |
| C02 | C01 | O30 | H1 | 119.9° | 120.0° |
| C02 | C01 | C21 | H1 | 119.0° | 120.0° |
| C02 | C01 | O30 | C31 | 107.0° | 150.0° |
| C02 | C01 | C21 | O22 | 104.8° | 55.0° |
| C01 | C02 | H2 | H3 | 120.2° | 120.0° |
| C02 | C01 | C21 | H27 | 15.1° | 65.1° |
| C02 | C01 | C21 | H28 | 135.4° | 175.0° |
| O30 | C01 | C21 | H1 | 121.1° | 120.0° |
| C01 | O30 | C31 | O32 | 178.9° | 0.1° |
| O30 | C01 | C21 | O22 | 15.2° | 65.0° |
| O30 | C01 | C02 | H2 | 26.6° | 55.0° |
| O30 | C01 | C02 | H3 | 93.6° | 175.0° |
| O30 | C01 | C21 | H27 | 135.1° | 174.9° |
| O30 | C01 | C21 | H28 | 104.7° | 55.0° |
| C21 | C01 | O30 | C31 | 132.9° | 90.0° |
| C01 | C21 | O22 | H27 | 119.9° | 120.0° |
| C01 | C21 | O22 | H28 | 119.9° | 120.0° |
| C01 | C21 | O22 | P23 | 96.8° | 180.0° |
| C21 | C01 | C02 | H2 | 146.7° | 175.0° |
| C21 | C01 | C02 | H3 | 26.5° | 65.0° |
| C01 | C21 | H27 | H28 | 120.4° | 119.9° |
| O32 | C31 | C33 | H33 | 159.0° | 120.1° |
| O32 | C31 | C33 | H34 | 82.0° | 120.0° |
| C31 | O30 | C01 | H1 | 12.9° | 30.0° |
| O30 | C31 | C33 | H33 | 21.5° | 60.0° |
| O30 | C31 | C33 | H34 | 97.5° | 60.0° |
| C21 | O22 | P23 | O25 | 72.5° | 55.0° |
| C21 | O22 | P23 | O24 | 47.6° | 65.0° |
| C21 | O22 | P23 | O26 | 167.5° | 175.0° |
| O22 | C21 | C01 | H1 | 136.3° | 175.0° |
| O22 | C21 | H27 | H28 | 120.3° | 120.0° |
| O22 | P23 | O25 | O24 | 120.1° | 119.9° |
| O22 | P23 | O25 | O26 | 120.2° | 120.0° |
| O22 | P23 | O24 | O26 | 120.1° | 120.0° |
| O22 | P23 | O26 | C27 | 126.3° | 175.0° |
| P23 | O22 | C21 | H27 | 143.3° | 60.0° |
| P23 | O22 | C21 | H28 | 23.1° | 60.0° |
| O22 | P23 | O24 | H59 | 120.3° | 60.0° |
| O25 | P23 | O24 | O26 | 119.7° | 120.0° |
| O25 | P23 | O26 | C27 | 113.5° | 55.0° |
| O25 | P23 | O24 | H59 | 0.0° | 180.0° |
| O24 | P23 | O26 | C27 | 6.3° | 65.0° |
| P23 | O26 | C27 | C28 | 138.2° | 180.0° |
| P23 | O26 | C27 | H29 | 102.0° | 60.0° |
| P23 | O26 | C27 | H30 | 18.4° | 60.0° |
| O26 | P23 | O24 | H59 | 119.6° | 60.0° |
| O26 | C27 | C28 | H29 | 119.8° | 120.0° |
| O26 | C27 | C28 | H30 | 119.8° | 120.0° |
| O26 | C27 | C28 | N29 | 15.7° | 65.0° |
| O26 | C27 | H29 | H30 | 120.6° | 120.0° |
| O26 | C27 | C28 | H31 | 135.8° | 175.0° |
| O26 | C27 | C28 | H32 | 104.4° | 55.0° |
| C27 | C28 | N29 | H31 | 120.1° | 120.0° |
| C27 | C28 | N29 | H32 | 120.1° | 120.0° |
| C28 | C27 | H29 | H30 | 120.6° | 120.0° |
| C27 | C28 | H31 | H32 | 119.6° | 120.0° |
| C27 | C28 | N29 | H56 | 180.0° | 180.0° |
| C27 | C28 | N29 | H57 | 60.0° | 56.0° |
| N29 | C28 | C27 | H29 | 104.1° | 175.0° |
| N29 | C28 | C27 | H30 | 135.5° | 55.0° |
| N29 | C28 | H31 | H32 | 119.6° | 120.0° |
| C28 | N29 | H56 | H57 | 120.0° | 124.0° |
| H1 | C01 | C02 | H2 | 94.4° | 65.0° |
| H1 | C01 | C02 | H3 | 145.5° | 55.0° |
| H1 | C01 | C21 | H27 | 103.9° | 54.9° |
| H1 | C01 | C21 | H28 | 16.4° | 65.0° |
| H4 | C06 | C07 | H6 | 179.1° | 180.0° |
| H4 | C06 | C07 | H7 | 60.1° | 60.0° |
| H5 | C06 | C07 | H6 | 61.7° | 60.0° |
| H5 | C06 | C07 | H7 | 179.3° | 180.0° |
| H6 | C07 | C08 | H8 | 63.7° | 180.0° |
| H6 | C07 | C08 | H9 | 55.5° | 60.0° |
| H7 | C07 | C08 | H8 | 177.3° | 60.0° |
| H7 | C07 | C08 | H9 | 63.5° | NaN° |
| H8 | C08 | C09 | H10 | 119.0° | 180.0° |
| H8 | C08 | C09 | H11 | 0.1° | 60.0° |
| H9 | C08 | C09 | H10 | 121.8° | 60.0° |
| H9 | C08 | C09 | H11 | 119.1° | 180.0° |
| H10 | C09 | C10 | H12 | 100.5° | 180.0° |
| H10 | C09 | C10 | H13 | 18.5° | 60.0° |
| H11 | C09 | C10 | H12 | 140.4° | 60.0° |
| H11 | C09 | C10 | H13 | 100.6° | 180.0° |
| H12 | C10 | C11 | H14 | 138.3° | 180.0° |
| H12 | C10 | C11 | H15 | 102.4° | 60.0° |
| H13 | C10 | C11 | H14 | 19.3° | 60.0° |
| H13 | C10 | C11 | H15 | 138.6° | 180.0° |
| H14 | C11 | C12 | H16 | 101.3° | 180.0° |
| H14 | C11 | C12 | H17 | 139.6° | 60.0° |
| H15 | C11 | C12 | H16 | 18.0° | 60.0° |
| H15 | C11 | C12 | H17 | 101.1° | 180.0° |
| H16 | C12 | C13 | H18 | 95.6° | NaN° |
| H16 | C12 | C13 | H19 | 145.3° | 60.0° |
| H17 | C12 | C13 | H18 | 23.5° | 60.0° |
| H17 | C12 | C13 | H19 | 95.6° | NaN° |
| H18 | C13 | C14 | H20 | 133.8° | 180.0° |
| H18 | C13 | C14 | H21 | 107.0° | 60.0° |
| H19 | C13 | C14 | H20 | 14.7° | 60.0° |
| H19 | C13 | C14 | H21 | 134.0° | 180.0° |
| H20 | C14 | C15 | H22 | 111.1° | 180.0° |
| H20 | C14 | C15 | H23 | 129.7° | 60.0° |
| H21 | C14 | C15 | H22 | 8.1° | 60.0° |
| H21 | C14 | C15 | H23 | 111.1° | 180.0° |
| H22 | C15 | C16 | H24 | 59.6° | 60.0° |
| H22 | C15 | C16 | H25 | 60.4° | 60.1° |
| H22 | C15 | C16 | H26 | 179.6° | 180.0° |
| H23 | C15 | C16 | H24 | 59.6° | NaN° |
| H23 | C15 | C16 | H25 | 179.6° | 59.9° |
| H23 | C15 | C16 | H26 | 60.5° | 60.0° |
| H24 | C16 | H25 | H26 | 120.0° | 120.0° |
| H29 | C27 | C28 | H31 | 16.1° | 55.0° |
| H29 | C27 | C28 | H32 | 135.8° | 65.0° |
| H30 | C27 | C28 | H31 | 104.4° | 65.0° |
| H30 | C27 | C28 | H32 | 15.4° | 175.0° |
| H31 | C28 | N29 | H56 | 59.8° | 60.0° |
| H31 | C28 | N29 | H57 | 179.8° | 176.0° |
| H32 | C28 | N29 | H56 | 59.9° | 60.1° |
| H32 | C28 | N29 | H57 | 60.1° | 63.9° |
| H33 | C33 | C34 | H35 | 142.6° | 180.0° |
| H33 | C33 | C34 | H36 | 98.1° | 60.0° |
| H34 | C33 | C34 | H35 | 23.6° | 59.9° |
| H34 | C33 | C34 | H36 | 142.9° | 180.0° |
| H35 | C34 | C35 | H37 | 176.2° | 179.9° |
| H35 | C34 | C35 | H38 | 57.2° | 60.0° |
| H36 | C34 | C35 | H37 | 64.5° | 60.0° |
| H36 | C34 | C35 | H38 | 176.5° | 180.0° |
| H37 | C35 | C36 | H39 | 171.5° | 180.0° |
| H37 | C35 | C36 | H40 | 69.2° | 60.0° |
| H38 | C35 | C36 | H39 | 52.5° | 60.0° |
| H38 | C35 | C36 | H40 | 171.8° | 180.0° |
| H39 | C36 | C37 | H41 | 175.9° | 180.0° |
| H39 | C36 | C37 | H42 | 56.7° | 60.0° |
| H40 | C36 | C37 | H41 | 64.9° | 60.0° |
| H40 | C36 | C37 | H42 | 175.9° | 180.0° |
| H41 | C37 | C38 | H43 | 163.6° | NaN° |
| H41 | C37 | C38 | H44 | 44.5° | 60.0° |
| H42 | C37 | C38 | H43 | 77.2° | 60.0° |
| H42 | C37 | C38 | H44 | 163.7° | 180.0° |
| H43 | C38 | C39 | H45 | 152.9° | 180.0° |
| H43 | C38 | C39 | H46 | 32.9° | 60.0° |
| H44 | C38 | C39 | H45 | 88.0° | 60.0° |
| H44 | C38 | C39 | H46 | 152.0° | 180.0° |
| H45 | C39 | C40 | H47 | 171.6° | 180.0° |
| H45 | C39 | C40 | H58 | 54.6° | 60.0° |
| H46 | C39 | C40 | H47 | 68.3° | 60.0° |
| H46 | C39 | C40 | H58 | 174.6° | 179.9° |
| H47 | C40 | C41 | H48 | 180.0° | 180.0° |
| H47 | C40 | C41 | H60 | 62.9° | 60.0° |
| H48 | C41 | C42 | H49 | 176.3° | 180.0° |
| H48 | C41 | C42 | H50 | 63.8° | 60.0° |
| H48 | C41 | C40 | H58 | 63.0° | 60.0° |
| H49 | C42 | C43 | H51 | 175.2° | 180.0° |
| H49 | C42 | C43 | H52 | 56.0° | 60.0° |
| H49 | C42 | C41 | H60 | 59.2° | 60.0° |
| H50 | C42 | C43 | H51 | 64.9° | 60.0° |
| H50 | C42 | C43 | H52 | 175.9° | 179.9° |
| H50 | C42 | C41 | H60 | 179.1° | 180.0° |
| H51 | C43 | C44 | H53 | 59.6° | 60.0° |
| H51 | C43 | C44 | H54 | 60.4° | 180.0° |
| H51 | C43 | C44 | H55 | 179.6° | 60.0° |
| H52 | C43 | C44 | H53 | 59.6° | 60.0° |
| H52 | C43 | C44 | H54 | 179.6° | 60.0° |
| H52 | C43 | C44 | H55 | 60.4° | 180.0° |
| H53 | C44 | H54 | H55 | 120.0° | 120.0° |
| H58 | C40 | C41 | H60 | 179.9° | 179.9° |
