A1INC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N29 | C28 | sing | 1.47Å | 1.45Å | |
| C28 | C27 | sing | 1.53Å | 1.53Å | |
| C27 | O26 | sing | 1.43Å | 1.40Å | |
| O26 | P23 | sing | 1.61Å | 1.65Å | |
| O22 | P23 | sing | 1.61Å | 1.65Å | |
| O22 | C21 | sing | 1.43Å | 1.40Å | |
| P23 | O24 | doub | 1.48Å | 1.51Å | |
| P23 | O25 | sing | 1.61Å | 1.51Å | |
| C21 | C01 | sing | 1.53Å | 1.53Å | |
| C01 | O30 | sing | 1.45Å | 1.40Å | |
| C01 | C02 | sing | 1.53Å | 1.53Å | |
| O30 | C31 | sing | 1.34Å | 1.40Å | |
| O03 | C02 | sing | 1.45Å | 1.40Å | |
| O03 | C04 | sing | 1.34Å | 1.40Å | |
| O05 | C04 | doub | 1.21Å | 1.18Å | |
| C04 | C06 | sing | 1.51Å | 1.53Å | |
| C31 | O32 | doub | 1.21Å | 1.18Å | |
| C31 | C33 | sing | 1.51Å | 1.53Å | |
| C33 | C34 | sing | 1.53Å | 1.53Å | |
| C06 | C07 | sing | 1.53Å | 1.53Å | |
| C07 | C08 | sing | 1.53Å | 1.53Å | |
| C34 | C35 | sing | 1.53Å | 1.53Å | |
| C35 | C36 | sing | 1.53Å | 1.53Å | |
| C08 | C09 | sing | 1.53Å | 1.53Å | |
| C09 | C10 | sing | 1.53Å | 1.53Å | |
| C36 | C37 | sing | 1.53Å | 1.53Å | |
| C37 | C38 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C38 | C39 | sing | 1.53Å | 1.53Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C39 | C40 | sing | 1.51Å | 1.53Å | |
| C40 | C41 | doub | 1.31Å | 1.32Å | |
| C44 | C45 | sing | 1.53Å | 1.53Å | |
| C44 | C43 | sing | 1.53Å | 1.53Å | |
| C45 | C46 | sing | 1.53Å | 1.53Å | |
| C49 | C48 | sing | 1.53Å | 1.53Å | |
| C41 | C42 | sing | 1.51Å | 1.53Å | |
| C48 | C47 | sing | 1.53Å | 1.53Å | |
| C46 | C47 | sing | 1.53Å | 1.53Å | |
| C43 | C42 | sing | 1.53Å | 1.53Å | |
| 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 | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C27 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å | |
| C28 | H25 | sing | 1.09Å | 1.10Å | |
| C28 | H26 | sing | 1.09Å | 1.10Å | |
| C33 | H27 | sing | 1.09Å | 1.10Å | |
| C33 | H28 | sing | 1.09Å | 1.10Å | |
| C34 | H29 | sing | 1.09Å | 1.10Å | |
| C34 | H30 | sing | 1.09Å | 1.10Å | |
| C35 | H31 | sing | 1.09Å | 1.10Å | |
| C35 | H32 | sing | 1.09Å | 1.10Å | |
| C36 | H33 | sing | 1.09Å | 1.10Å | |
| C36 | H34 | sing | 1.09Å | 1.10Å | |
| C37 | H35 | sing | 1.09Å | 1.10Å | |
| C37 | H36 | sing | 1.09Å | 1.10Å | |
| C38 | H37 | sing | 1.09Å | 1.10Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| C39 | H39 | sing | 1.09Å | 1.10Å | |
| C39 | H40 | sing | 1.09Å | 1.10Å | |
| C40 | H41 | sing | 1.08Å | 1.08Å | |
| C41 | H42 | sing | 1.08Å | 1.08Å | |
| C42 | H43 | sing | 1.09Å | 1.10Å | |
| C42 | H44 | sing | 1.09Å | 1.10Å | |
| C43 | H45 | sing | 1.09Å | 1.10Å | |
| C43 | H46 | sing | 1.09Å | 1.10Å | |
| C44 | H47 | sing | 1.09Å | 1.10Å | |
| C44 | H48 | sing | 1.09Å | 1.10Å | |
| C45 | H49 | sing | 1.09Å | 1.10Å | |
| C45 | H50 | sing | 1.09Å | 1.10Å | |
| C46 | H51 | sing | 1.09Å | 1.10Å | |
| C46 | H52 | sing | 1.09Å | 1.10Å | |
| C47 | H53 | sing | 1.09Å | 1.10Å | |
| C47 | H54 | sing | 1.09Å | 1.10Å | |
| C48 | H55 | sing | 1.09Å | 1.10Å | |
| C48 | H56 | sing | 1.09Å | 1.10Å | |
| C49 | H57 | sing | 1.09Å | 1.10Å | |
| C49 | H58 | sing | 1.09Å | 1.10Å | |
| C49 | H59 | sing | 1.09Å | 1.10Å | |
| N29 | H60 | sing | 1.01Å | 1.00Å | |
| N29 | H61 | sing | 1.01Å | 1.00Å | |
| O25 | H63 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N29 | C28 | C27 | 110.4° | 109.5° |
| N29 | C28 | H25 | 109.3° | 109.5° |
| N29 | C28 | H26 | 109.2° | 109.5° |
| C28 | N29 | H60 | 109.5° | 111.0° |
| C28 | N29 | H61 | 109.5° | 111.0° |
| C28 | C27 | O26 | 108.5° | 109.5° |
| C28 | C27 | H23 | 109.7° | 109.5° |
| C28 | C27 | H24 | 109.7° | 109.5° |
| C27 | C28 | H25 | 109.2° | 109.5° |
| C27 | C28 | H26 | 109.3° | 109.4° |
| C27 | O26 | P23 | 117.8° | 123.0° |
| O26 | C27 | H23 | 109.7° | 109.4° |
| O26 | C27 | H24 | 109.7° | 109.5° |
| O26 | P23 | O22 | 109.1° | 109.4° |
| O26 | P23 | O24 | 108.5° | 109.5° |
| O26 | P23 | O25 | 109.5° | 109.4° |
| P23 | O22 | C21 | 120.0° | 122.9° |
| O22 | P23 | O24 | 110.3° | 109.5° |
| O22 | P23 | O25 | 109.6° | 109.5° |
| O22 | C21 | C01 | 109.8° | 109.4° |
| O22 | C21 | H21 | 109.4° | 109.5° |
| O22 | C21 | H22 | 109.4° | 109.5° |
| O24 | P23 | O25 | 109.7° | 109.5° |
| P23 | O25 | H63 | 109.5° | 114.0° |
| C21 | C01 | O30 | 110.0° | 109.5° |
| C21 | C01 | C02 | 109.3° | 109.5° |
| C21 | C01 | H1 | 108.8° | 109.4° |
| C01 | C21 | H21 | 109.4° | 109.5° |
| C01 | C21 | H22 | 109.4° | 109.4° |
| O30 | C01 | C02 | 109.3° | 109.5° |
| C01 | O30 | C31 | 113.2° | 117.0° |
| O30 | C01 | H1 | 110.6° | 109.5° |
| C01 | C02 | O03 | 108.6° | 109.4° |
| C02 | C01 | H1 | 108.8° | 109.4° |
| C01 | C02 | H2 | 109.7° | 109.4° |
| C01 | C02 | H3 | 109.7° | 109.5° |
| O30 | C31 | O32 | 119.9° | 120.0° |
| O30 | C31 | C33 | 120.1° | 120.0° |
| C02 | O03 | C04 | 113.8° | 117.0° |
| O03 | C02 | H2 | 109.7° | 109.5° |
| O03 | C02 | H3 | 109.7° | 109.5° |
| O03 | C04 | O05 | 120.1° | 120.0° |
| O03 | C04 | C06 | 119.9° | 120.0° |
| O05 | C04 | C06 | 119.9° | 120.1° |
| C04 | C06 | C07 | 112.7° | 109.4° |
| C04 | C06 | H4 | 108.7° | 109.5° |
| C04 | C06 | H5 | 108.7° | 109.5° |
| O32 | C31 | C33 | 119.9° | 120.0° |
| C31 | C33 | C34 | 111.9° | 109.4° |
| C31 | C33 | H27 | 108.9° | 109.4° |
| C31 | C33 | H28 | 108.9° | 109.5° |
| C33 | C34 | C35 | 112.5° | 109.5° |
| C34 | C33 | H27 | 108.8° | 109.5° |
| C34 | C33 | H28 | 108.8° | 109.5° |
| C33 | C34 | H29 | 108.7° | 109.5° |
| C33 | C34 | H30 | 108.7° | 109.4° |
| C06 | C07 | C08 | 112.1° | 109.5° |
| C07 | C06 | H4 | 108.7° | 109.5° |
| C07 | C06 | H5 | 108.7° | 109.5° |
| C06 | C07 | H6 | 108.8° | 109.5° |
| C06 | C07 | H7 | 108.8° | 109.5° |
| C07 | C08 | C09 | 112.4° | 109.5° |
| C08 | C07 | H6 | 108.8° | 109.5° |
| C08 | C07 | H7 | 108.8° | 109.4° |
| C07 | C08 | H8 | 108.8° | 109.5° |
| C07 | C08 | H9 | 108.7° | 109.4° |
| C34 | C35 | C36 | 111.6° | 109.5° |
| C35 | C34 | H29 | 108.7° | 109.5° |
| C35 | C34 | H30 | 108.7° | 109.4° |
| C34 | C35 | H31 | 108.9° | 109.5° |
| C34 | C35 | H32 | 108.9° | 109.5° |
| C35 | C36 | C37 | 112.7° | 109.5° |
| C36 | C35 | H31 | 108.9° | 109.4° |
| C36 | C35 | H32 | 108.9° | 109.5° |
| C35 | C36 | H33 | 108.6° | 109.5° |
| C35 | C36 | H34 | 108.7° | 109.4° |
| C08 | C09 | C10 | 112.1° | 109.5° |
| C09 | C08 | H8 | 108.7° | 109.5° |
| C09 | C08 | H9 | 108.7° | 109.5° |
| C08 | C09 | H10 | 108.8° | 109.5° |
| C08 | C09 | H11 | 108.8° | 109.5° |
| C09 | C10 | C11 | 112.1° | 109.5° |
| C10 | C09 | H10 | 108.8° | 109.4° |
| C10 | C09 | H11 | 108.8° | 109.5° |
| C09 | C10 | H12 | 108.8° | 109.4° |
| C09 | C10 | H13 | 108.8° | 109.5° |
| C36 | C37 | C38 | 111.6° | 109.4° |
| C37 | C36 | H33 | 108.6° | 109.5° |
| C37 | C36 | H34 | 108.6° | 109.5° |
| C36 | C37 | H35 | 108.9° | 109.5° |
| C36 | C37 | H36 | 108.9° | 109.5° |
| C37 | C38 | C39 | 112.4° | 109.4° |
| C38 | C37 | H35 | 108.9° | 109.5° |
| C38 | C37 | H36 | 108.9° | 109.5° |
| C37 | C38 | H37 | 108.7° | 109.5° |
| C37 | C38 | H38 | 108.7° | 109.5° |
| C10 | C11 | C12 | 112.4° | 109.5° |
| C11 | C10 | H12 | 108.8° | 109.5° |
| C11 | C10 | H13 | 108.8° | 109.5° |
| C10 | C11 | H14 | 108.7° | 109.5° |
| C10 | C11 | H15 | 108.8° | 109.5° |
| C11 | C12 | C13 | 112.3° | 109.5° |
| C12 | C11 | H14 | 108.7° | 109.4° |
| C12 | C11 | H15 | 108.7° | 109.5° |
| C11 | C12 | H16 | 108.8° | 109.4° |
| C11 | C12 | H17 | 108.8° | 109.5° |
| C38 | C39 | C40 | 108.4° | 109.5° |
| C39 | C38 | H37 | 108.7° | 109.5° |
| C39 | C38 | H38 | 108.7° | 109.4° |
| C38 | C39 | H39 | 109.8° | 109.5° |
| C38 | C39 | H40 | 109.7° | 109.4° |
| C13 | C12 | H16 | 108.8° | 109.5° |
| C13 | C12 | H17 | 108.8° | 109.5° |
| C12 | C13 | H18 | 109.5° | 109.5° |
| C12 | C13 | H19 | 109.5° | 109.5° |
| C12 | C13 | H20 | 109.4° | 109.5° |
| C39 | C40 | C41 | 120.2° | 120.0° |
| C40 | C39 | H39 | 109.7° | 109.4° |
| C40 | C39 | H40 | 109.7° | 109.4° |
| C39 | C40 | H41 | 119.9° | 120.0° |
| C40 | C41 | C42 | 119.3° | 120.0° |
| C41 | C40 | H41 | 119.9° | 120.0° |
| C40 | C41 | H42 | 120.4° | 120.0° |
| C45 | C44 | C43 | 112.8° | 109.5° |
| C44 | C45 | C46 | 112.9° | 109.5° |
| C45 | C44 | H47 | 108.6° | 109.5° |
| C45 | C44 | H48 | 108.6° | 109.4° |
| C44 | C45 | H49 | 108.6° | 109.5° |
| C44 | C45 | H50 | 108.6° | 109.5° |
| C44 | C43 | C42 | 111.1° | 109.4° |
| C44 | C43 | H45 | 109.1° | 109.5° |
| C44 | C43 | H46 | 109.1° | 109.5° |
| C43 | C44 | H47 | 108.6° | 109.5° |
| C43 | C44 | H48 | 108.6° | 109.5° |
| C45 | C46 | C47 | 111.6° | 109.5° |
| C46 | C45 | H49 | 108.6° | 109.5° |
| C46 | C45 | H50 | 108.6° | 109.5° |
| C45 | C46 | H51 | 108.9° | 109.5° |
| C45 | C46 | H52 | 108.9° | 109.5° |
| C49 | C48 | C47 | 112.2° | 109.5° |
| C49 | C48 | H55 | 108.8° | 109.5° |
| C49 | C48 | H56 | 108.8° | 109.5° |
| C48 | C49 | H57 | 109.5° | 109.4° |
| C48 | C49 | H58 | 109.5° | 109.4° |
| C48 | C49 | H59 | 109.4° | 109.5° |
| C41 | C42 | C43 | 108.5° | 109.4° |
| C42 | C41 | H42 | 120.4° | 120.0° |
| C41 | C42 | H43 | 109.7° | 109.5° |
| C41 | C42 | H44 | 109.7° | 109.5° |
| C48 | C47 | C46 | 112.4° | 109.5° |
| C48 | C47 | H53 | 108.7° | 109.4° |
| C48 | C47 | H54 | 108.8° | 109.4° |
| C47 | C48 | H55 | 108.8° | 109.5° |
| C47 | C48 | H56 | 108.8° | 109.4° |
| C47 | C46 | H51 | 108.9° | 109.5° |
| C47 | C46 | H52 | 109.0° | 109.4° |
| C46 | C47 | H53 | 108.7° | 109.5° |
| C46 | C47 | H54 | 108.8° | 109.4° |
| C43 | C42 | H43 | 109.7° | 109.5° |
| C43 | C42 | H44 | 109.7° | 109.5° |
| C42 | C43 | H45 | 109.1° | 109.5° |
| C42 | C43 | H46 | 109.1° | 109.5° |
| H2 | C02 | H3 | 109.5° | 109.5° |
| H4 | C06 | H5 | 109.4° | 109.5° |
| H6 | C07 | H7 | 109.5° | 109.4° |
| H8 | C08 | H9 | 109.4° | 109.4° |
| H10 | C09 | H11 | 109.5° | 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° |
| H18 | C13 | H20 | 109.5° | 109.5° |
| H19 | C13 | H20 | 109.5° | 109.5° |
| H21 | C21 | H22 | 109.4° | 109.5° |
| H23 | C27 | H24 | 109.5° | 109.4° |
| H25 | C28 | H26 | 109.5° | 109.5° |
| H27 | C33 | H28 | 109.5° | 109.5° |
| H29 | C34 | H30 | 109.5° | 109.5° |
| H31 | C35 | H32 | 109.5° | 109.5° |
| H33 | C36 | H34 | 109.5° | 109.5° |
| H35 | C37 | H36 | 109.5° | 109.4° |
| H37 | C38 | H38 | 109.5° | 109.5° |
| H39 | C39 | H40 | 109.5° | 109.5° |
| H43 | C42 | H44 | 109.5° | 109.5° |
| H45 | C43 | H46 | 109.5° | 109.5° |
| H47 | C44 | H48 | 109.5° | 109.5° |
| H49 | C45 | H50 | 109.4° | 109.4° |
| H51 | C46 | H52 | 109.4° | 109.5° |
| H53 | C47 | H54 | 109.5° | 109.5° |
| H55 | C48 | H56 | 109.5° | 109.5° |
| H57 | C49 | H58 | 109.5° | 109.5° |
| H57 | C49 | H59 | 109.5° | 109.5° |
| H58 | C49 | H59 | 109.5° | 109.5° |
| H60 | N29 | H61 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N29 | C28 | C27 | H25 | 120.2° | 120.0° |
| N29 | C28 | C27 | H26 | 120.1° | 120.0° |
| N29 | C28 | C27 | O26 | 149.9° | 65.0° |
| N29 | C28 | C27 | H23 | 30.1° | 175.0° |
| N29 | C28 | C27 | H24 | 90.2° | 55.0° |
| N29 | C28 | H25 | H26 | 119.6° | 120.0° |
| C28 | N29 | H60 | H61 | 120.0° | 123.9° |
| C28 | C27 | O26 | H23 | 119.8° | 120.0° |
| C28 | C27 | O26 | H24 | 119.8° | 120.0° |
| C28 | C27 | O26 | P23 | 128.1° | 180.0° |
| C28 | C27 | H23 | H24 | 120.5° | 120.0° |
| C27 | C28 | H25 | H26 | 119.6° | 120.0° |
| C27 | C28 | N29 | H60 | 180.0° | 180.0° |
| C27 | C28 | N29 | H61 | 60.0° | 56.0° |
| C27 | O26 | P23 | O22 | 82.0° | 175.0° |
| C27 | O26 | P23 | O24 | 38.3° | 55.0° |
| C27 | O26 | P23 | O25 | 158.1° | 65.1° |
| O26 | C27 | H23 | H24 | 120.5° | 119.9° |
| O26 | C27 | C28 | H25 | 89.9° | 175.0° |
| O26 | C27 | C28 | H26 | 29.8° | 55.0° |
| O26 | P23 | O22 | O24 | 119.2° | 120.0° |
| O26 | P23 | O22 | O25 | 119.9° | 119.9° |
| O26 | P23 | O22 | C21 | 147.4° | 175.0° |
| O26 | P23 | O24 | O25 | 119.7° | 120.0° |
| P23 | O26 | C27 | H23 | 8.3° | 60.0° |
| P23 | O26 | C27 | H24 | 112.1° | 59.9° |
| O26 | P23 | O25 | H63 | 119.1° | 60.0° |
| O22 | P23 | O24 | O25 | 120.8° | 120.0° |
| P23 | O22 | C21 | C01 | 36.1° | 180.0° |
| P23 | O22 | C21 | H21 | 83.9° | 60.0° |
| P23 | O22 | C21 | H22 | 156.2° | 60.0° |
| O22 | P23 | O25 | H63 | 121.3° | 59.9° |
| C21 | O22 | P23 | O24 | 28.2° | 55.0° |
| C21 | O22 | P23 | O25 | 92.7° | 65.1° |
| O22 | C21 | C01 | H21 | 120.1° | 120.0° |
| O22 | C21 | C01 | H22 | 120.1° | 120.0° |
| O22 | C21 | C01 | O30 | 71.7° | 65.0° |
| O22 | C21 | C01 | C02 | 168.3° | 55.0° |
| O22 | C21 | C01 | H1 | 49.6° | 175.0° |
| O22 | C21 | H21 | H22 | 119.9° | 120.0° |
| O24 | P23 | O25 | H63 | 0.0° | 180.0° |
| C21 | C01 | O30 | C02 | 120.0° | 120.0° |
| C21 | C01 | O30 | H1 | 120.2° | 120.0° |
| C21 | C01 | C02 | H1 | 118.7° | 119.9° |
| C21 | C01 | O30 | C31 | 162.1° | 90.0° |
| C21 | C01 | C02 | O03 | 85.4° | 55.0° |
| C21 | C01 | C02 | H2 | 34.4° | 175.0° |
| C21 | C01 | C02 | H3 | 154.7° | 65.0° |
| C01 | C21 | H21 | H22 | 119.8° | 120.0° |
| O30 | C01 | C02 | H1 | 120.9° | 120.0° |
| O30 | C01 | C02 | O03 | 154.2° | 65.0° |
| C01 | O30 | C31 | O32 | 17.7° | 0.1° |
| C01 | O30 | C31 | C33 | 162.2° | 180.0° |
| O30 | C01 | C02 | H2 | 85.9° | 55.0° |
| O30 | C01 | C02 | H3 | 34.3° | 175.0° |
| O30 | C01 | C21 | H21 | 168.2° | 175.0° |
| O30 | C01 | C21 | H22 | 48.3° | 55.0° |
| C02 | C01 | O30 | C31 | 77.9° | 150.0° |
| C01 | C02 | O03 | H2 | 119.9° | 120.0° |
| C01 | C02 | O03 | H3 | 119.9° | 120.0° |
| C01 | C02 | O03 | C04 | 177.3° | 180.0° |
| C01 | C02 | H2 | H3 | 120.4° | 120.0° |
| C02 | C01 | C21 | H21 | 48.2° | 65.0° |
| C02 | C01 | C21 | H22 | 71.7° | 175.0° |
| O30 | C31 | O32 | C33 | 179.9° | 179.9° |
| O30 | C31 | C33 | C34 | 148.9° | 180.0° |
| C31 | O30 | C01 | H1 | 41.9° | 30.0° |
| O30 | C31 | C33 | H27 | 28.5° | 60.0° |
| O30 | C31 | C33 | H28 | 90.8° | 60.0° |
| C02 | O03 | C04 | O05 | 69.6° | 0.0° |
| C02 | O03 | C04 | C06 | 110.2° | 180.0° |
| O03 | C02 | C01 | H1 | 33.3° | 174.9° |
| O03 | C02 | H2 | H3 | 120.4° | 120.1° |
| O03 | C04 | O05 | C06 | 179.8° | 180.0° |
| O03 | C04 | C06 | C07 | 170.1° | 180.0° |
| C04 | O03 | C02 | H2 | 62.8° | 60.0° |
| C04 | O03 | C02 | H3 | 57.4° | 60.0° |
| O03 | C04 | C06 | H4 | 69.4° | 60.0° |
| O03 | C04 | C06 | H5 | 49.6° | 60.0° |
| O05 | C04 | C06 | C07 | 10.1° | 0.0° |
| O05 | C04 | C06 | H4 | 110.4° | 120.0° |
| O05 | C04 | C06 | H5 | 130.6° | 120.0° |
| C04 | C06 | C07 | H4 | 120.5° | 120.0° |
| C04 | C06 | C07 | H5 | 120.5° | 120.0° |
| C04 | C06 | C07 | C08 | 137.6° | 180.0° |
| C04 | C06 | H4 | H5 | 118.5° | 120.0° |
| C04 | C06 | C07 | H6 | 102.0° | 60.0° |
| C04 | C06 | C07 | H7 | 17.2° | 60.0° |
| O32 | C31 | C33 | C34 | 31.0° | 0.1° |
| O32 | C31 | C33 | H27 | 151.4° | 119.9° |
| O32 | C31 | C33 | H28 | 89.3° | 120.0° |
| C31 | C33 | C34 | H27 | 120.4° | 120.0° |
| C31 | C33 | C34 | H28 | 120.4° | 120.0° |
| C31 | C33 | C34 | C35 | 146.6° | 180.0° |
| C31 | C33 | H27 | H28 | 118.9° | 120.0° |
| C31 | C33 | C34 | H29 | 26.1° | 60.0° |
| C31 | C33 | C34 | H30 | 92.9° | 60.0° |
| C33 | C34 | C35 | H29 | 120.4° | 120.1° |
| C33 | C34 | C35 | H30 | 120.5° | 119.9° |
| C33 | C34 | C35 | C36 | 142.7° | 180.0° |
| C34 | C33 | H27 | H28 | 118.8° | 120.0° |
| C33 | C34 | H29 | H30 | 118.6° | 120.0° |
| C33 | C34 | C35 | H31 | 22.3° | 60.0° |
| C33 | C34 | C35 | H32 | 97.0° | 60.0° |
| C06 | C07 | C08 | H6 | 120.4° | 120.1° |
| C06 | C07 | C08 | H7 | 120.4° | 120.0° |
| C06 | C07 | C08 | C09 | 175.4° | 180.0° |
| C07 | C06 | H4 | H5 | 118.5° | 120.0° |
| C06 | C07 | H6 | H7 | 118.8° | 120.0° |
| C06 | C07 | C08 | H8 | 64.2° | 59.9° |
| C06 | C07 | C08 | H9 | 54.9° | 60.0° |
| C07 | C08 | C09 | H8 | 120.5° | 120.1° |
| C07 | C08 | C09 | H9 | 120.5° | 120.0° |
| C07 | C08 | C09 | C10 | 175.5° | 180.0° |
| C08 | C07 | C06 | H4 | 17.1° | 60.0° |
| C08 | C07 | C06 | H5 | 101.9° | 60.0° |
| C08 | C07 | H6 | H7 | 118.8° | 119.9° |
| C07 | C08 | H8 | H9 | 118.6° | 119.9° |
| C07 | C08 | C09 | H10 | 64.1° | 60.0° |
| C07 | C08 | C09 | H11 | 55.1° | 60.0° |
| C34 | C35 | C36 | H31 | 120.3° | 120.1° |
| C34 | C35 | C36 | H32 | 120.3° | 120.0° |
| C34 | C35 | C36 | C37 | 165.1° | 180.0° |
| C35 | C34 | C33 | H27 | 93.0° | 60.0° |
| C35 | C34 | C33 | H28 | 26.2° | 60.0° |
| C35 | C34 | H29 | H30 | 118.6° | 120.0° |
| C34 | C35 | H31 | H32 | 119.0° | 120.0° |
| C34 | C35 | C36 | H33 | 44.6° | 60.0° |
| C34 | C35 | C36 | H34 | 74.4° | 60.1° |
| C35 | C36 | C37 | H33 | 120.5° | 120.0° |
| C35 | C36 | C37 | H34 | 120.5° | 119.9° |
| C35 | C36 | C37 | C38 | 163.0° | 180.0° |
| C36 | C35 | C34 | H29 | 96.9° | 60.0° |
| C36 | C35 | C34 | H30 | 22.2° | 60.1° |
| C36 | C35 | H31 | H32 | 119.0° | 120.0° |
| C35 | C36 | H33 | H34 | 118.5° | 120.0° |
| C35 | C36 | C37 | H35 | 42.7° | 60.0° |
| C35 | C36 | C37 | H36 | 76.7° | 60.0° |
| C08 | C09 | C10 | H10 | 120.4° | 120.0° |
| C08 | C09 | C10 | H11 | 120.4° | 120.0° |
| C08 | C09 | C10 | C11 | 74.7° | 180.0° |
| C09 | C08 | C07 | H6 | 55.0° | 59.9° |
| C09 | C08 | C07 | H7 | 64.2° | 60.0° |
| C09 | C08 | H8 | H9 | 118.6° | 120.0° |
| C08 | C09 | H10 | H11 | 118.8° | 120.0° |
| C08 | C09 | C10 | H12 | 164.9° | 60.0° |
| C08 | C09 | C10 | H13 | 45.7° | 60.0° |
| C09 | C10 | C11 | H12 | 120.4° | 120.0° |
| C09 | C10 | C11 | H13 | 120.4° | 120.0° |
| C09 | C10 | C11 | C12 | 157.7° | NaN° |
| C10 | C09 | C08 | H8 | 55.0° | 60.0° |
| C10 | C09 | C08 | H9 | 64.1° | 60.0° |
| C10 | C09 | H10 | H11 | 118.8° | 120.0° |
| C09 | C10 | H12 | H13 | 118.8° | 120.0° |
| C09 | C10 | C11 | H14 | 37.3° | 60.0° |
| C09 | C10 | C11 | H15 | 81.8° | 60.0° |
| C36 | C37 | C38 | H35 | 120.3° | 120.0° |
| C36 | C37 | C38 | H36 | 120.3° | 120.0° |
| C36 | C37 | C38 | C39 | 136.8° | 180.0° |
| C37 | C36 | C35 | H31 | 74.6° | 60.0° |
| C37 | C36 | C35 | H32 | 44.8° | 60.0° |
| C37 | C36 | H33 | H34 | 118.5° | 120.0° |
| C36 | C37 | H35 | H36 | 119.0° | 120.0° |
| C36 | C37 | C38 | H37 | 16.3° | 60.0° |
| C36 | C37 | C38 | H38 | 102.8° | 60.1° |
| C37 | C38 | C39 | H37 | 120.4° | 120.0° |
| C37 | C38 | C39 | H38 | 120.4° | 120.0° |
| C37 | C38 | C39 | C40 | 126.3° | 180.0° |
| C38 | C37 | C36 | H33 | 76.6° | 60.0° |
| C38 | C37 | C36 | H34 | 42.5° | 60.1° |
| C38 | C37 | H35 | H36 | 119.0° | 120.0° |
| C37 | C38 | H37 | H38 | 118.7° | 120.0° |
| C37 | C38 | C39 | H39 | 113.9° | 60.0° |
| C37 | C38 | C39 | H40 | 6.5° | 60.1° |
| C10 | C11 | C12 | H14 | 120.4° | 120.0° |
| C10 | C11 | C12 | H15 | 120.4° | 120.0° |
| C10 | C11 | C12 | C13 | 133.4° | 180.0° |
| C11 | C10 | C09 | H10 | 45.7° | 60.0° |
| C11 | C10 | C09 | H11 | 164.9° | 60.0° |
| C11 | C10 | H12 | H13 | 118.8° | 120.0° |
| C10 | C11 | H14 | H15 | 118.7° | 120.0° |
| C10 | C11 | C12 | H16 | 13.0° | 60.0° |
| C10 | C11 | C12 | H17 | 106.2° | 60.0° |
| C11 | C12 | C13 | H16 | 120.4° | 120.0° |
| C11 | C12 | C13 | H17 | 120.4° | 120.0° |
| C12 | C11 | C10 | H12 | 81.9° | 60.0° |
| C12 | C11 | C10 | H13 | 37.4° | 60.0° |
| C12 | C11 | H14 | H15 | 118.7° | 120.0° |
| C11 | C12 | H16 | H17 | 118.7° | 120.0° |
| C11 | C12 | C13 | H18 | 180.0° | 180.0° |
| C11 | C12 | C13 | H19 | 60.0° | 60.0° |
| C11 | C12 | C13 | H20 | 60.0° | 60.0° |
| C38 | C39 | C40 | H39 | 119.8° | 120.0° |
| C38 | C39 | C40 | H40 | 119.8° | 119.9° |
| C38 | C39 | C40 | C41 | 161.1° | 125.0° |
| C39 | C38 | C37 | H35 | 102.9° | 60.0° |
| C39 | C38 | C37 | H36 | 16.4° | 60.0° |
| C39 | C38 | H37 | H38 | 118.6° | 120.0° |
| C38 | C39 | H39 | H40 | 120.5° | 120.0° |
| C38 | C39 | C40 | H41 | 18.9° | 55.0° |
| C13 | C12 | C11 | H14 | 106.2° | 60.0° |
| C13 | C12 | C11 | H15 | 13.0° | 60.0° |
| C13 | C12 | H16 | H17 | 118.7° | 120.0° |
| C12 | C13 | H18 | H19 | 120.0° | 120.0° |
| C12 | C13 | H18 | H20 | 120.0° | 120.0° |
| C12 | C13 | H19 | H20 | 120.0° | 120.0° |
| C39 | C40 | C41 | H41 | 180.0° | 179.9° |
| C39 | C40 | C41 | C42 | 179.8° | 180.0° |
| C40 | C39 | C38 | H37 | 5.9° | 60.0° |
| C40 | C39 | C38 | H38 | 113.3° | 60.0° |
| C40 | C39 | H39 | H40 | 120.5° | 120.0° |
| C39 | C40 | C41 | H42 | 0.2° | 0.1° |
| C40 | C41 | C42 | H42 | 180.0° | 179.9° |
| C40 | C41 | C42 | C43 | 118.8° | 125.1° |
| C41 | C40 | C39 | H39 | 79.1° | 4.9° |
| C41 | C40 | C39 | H40 | 41.3° | 115.1° |
| C40 | C41 | C42 | H43 | 1.0° | 115.0° |
| C40 | C41 | C42 | H44 | 121.3° | 5.1° |
| C45 | C44 | C43 | H47 | 120.5° | 120.0° |
| C45 | C44 | C43 | H48 | 120.5° | 120.0° |
| C44 | C45 | C46 | H49 | 120.5° | 120.0° |
| C44 | C45 | C46 | H50 | 120.5° | 120.0° |
| C44 | C45 | C46 | C47 | 169.2° | 180.0° |
| C45 | C44 | C43 | C42 | 136.3° | 180.0° |
| C45 | C44 | C43 | H45 | 103.4° | 60.0° |
| C45 | C44 | C43 | H46 | 16.1° | 60.0° |
| C45 | C44 | H47 | H48 | 118.5° | 120.0° |
| C44 | C45 | H49 | H50 | 118.4° | 120.0° |
| C44 | C45 | C46 | H51 | 48.8° | 60.0° |
| C44 | C45 | C46 | H52 | 70.5° | 60.0° |
| C43 | C44 | C45 | C46 | 54.8° | 180.0° |
| C44 | C43 | C42 | C41 | 66.2° | 180.0° |
| C44 | C43 | C42 | H45 | 120.3° | 120.0° |
| C44 | C43 | C42 | H46 | 120.2° | 120.0° |
| C44 | C43 | C42 | H43 | 53.7° | 60.0° |
| C44 | C43 | C42 | H44 | 174.0° | 60.0° |
| C44 | C43 | H45 | H46 | 119.3° | 120.0° |
| C43 | C44 | H47 | H48 | 118.4° | 120.0° |
| C43 | C44 | C45 | H49 | 175.3° | 60.0° |
| C43 | C44 | C45 | H50 | 65.8° | 60.0° |
| C45 | C46 | C47 | C48 | 126.6° | 180.0° |
| C45 | C46 | C47 | H51 | 120.3° | 120.0° |
| C45 | C46 | C47 | H52 | 120.3° | 120.0° |
| C46 | C45 | C44 | H47 | 175.3° | 60.0° |
| C46 | C45 | C44 | H48 | 65.7° | 60.0° |
| C46 | C45 | H49 | H50 | 118.5° | 120.0° |
| C45 | C46 | H51 | H52 | 119.0° | 120.1° |
| C45 | C46 | C47 | H53 | 113.0° | 60.0° |
| C45 | C46 | C47 | H54 | 6.1° | 60.0° |
| C49 | C48 | C47 | H55 | 120.4° | 120.0° |
| C49 | C48 | C47 | H56 | 120.4° | 120.0° |
| C49 | C48 | C47 | C46 | 158.2° | 180.0° |
| C49 | C48 | C47 | H53 | 81.4° | 60.0° |
| C49 | C48 | C47 | H54 | 37.7° | 60.0° |
| C49 | C48 | H55 | H56 | 118.7° | 120.0° |
| C48 | C49 | H57 | H58 | 120.0° | 119.9° |
| C48 | C49 | H57 | H59 | 120.0° | 120.0° |
| C48 | C49 | H58 | H59 | 119.9° | 120.0° |
| C41 | C42 | C43 | H43 | 119.8° | 120.0° |
| C41 | C42 | C43 | H44 | 119.9° | 120.0° |
| C42 | C41 | C40 | H41 | 0.2° | 0.1° |
| C41 | C42 | H43 | H44 | 120.5° | 120.0° |
| C41 | C42 | C43 | H45 | 54.1° | 60.0° |
| C41 | C42 | C43 | H46 | 173.6° | 60.0° |
| C48 | C47 | C46 | H53 | 120.4° | 120.0° |
| C48 | C47 | C46 | H54 | 120.5° | 119.9° |
| C48 | C47 | C46 | H51 | 113.1° | 60.0° |
| C48 | C47 | C46 | H52 | 6.3° | 60.0° |
| C48 | C47 | H53 | H54 | 118.7° | 120.0° |
| C47 | C48 | H55 | H56 | 118.8° | 120.0° |
| C47 | C48 | C49 | H57 | 180.0° | 60.0° |
| C47 | C48 | C49 | H58 | 60.0° | 180.0° |
| C47 | C48 | C49 | H59 | 60.0° | 60.0° |
| C47 | C46 | C45 | H49 | 70.3° | 60.0° |
| C47 | C46 | C45 | H50 | 48.6° | 60.0° |
| C47 | C46 | H51 | H52 | 119.0° | 119.9° |
| C46 | C47 | H53 | H54 | 118.7° | 120.0° |
| C46 | C47 | C48 | H55 | 37.8° | 60.0° |
| C46 | C47 | C48 | H56 | 81.4° | 60.0° |
| C43 | C42 | C41 | H42 | 61.2° | 55.0° |
| C43 | C42 | H43 | H44 | 120.5° | 120.0° |
| C42 | C43 | H45 | H46 | 119.3° | 120.0° |
| C42 | C43 | C44 | H47 | 15.8° | 60.0° |
| C42 | C43 | C44 | H48 | 103.1° | 60.0° |
| H1 | C01 | C02 | H2 | 153.1° | 65.0° |
| H1 | C01 | C02 | H3 | 86.6° | 54.9° |
| H1 | C01 | C21 | H21 | 70.5° | 54.9° |
| H1 | C01 | C21 | H22 | 169.6° | 65.1° |
| H4 | C06 | C07 | H6 | 137.5° | 180.0° |
| H4 | C06 | C07 | H7 | 103.3° | 60.0° |
| H5 | C06 | C07 | H6 | 18.5° | 60.0° |
| H5 | C06 | C07 | H7 | 137.7° | NaN° |
| H6 | C07 | C08 | H8 | 175.4° | 180.0° |
| H6 | C07 | C08 | H9 | 65.5° | 60.1° |
| H7 | C07 | C08 | H8 | 56.2° | 60.1° |
| H7 | C07 | C08 | H9 | 175.3° | 180.0° |
| H8 | C08 | C09 | H10 | 175.4° | 180.0° |
| H8 | C08 | C09 | H11 | 65.4° | 60.0° |
| H9 | C08 | C09 | H10 | 56.3° | 60.0° |
| H9 | C08 | C09 | H11 | 175.5° | 180.0° |
| H10 | C09 | C10 | H12 | 74.7° | 180.0° |
| H10 | C09 | C10 | H13 | 166.1° | 60.0° |
| H11 | C09 | C10 | H12 | 44.5° | 60.0° |
| H11 | C09 | C10 | H13 | 74.7° | 180.0° |
| H12 | C10 | C11 | H14 | 157.7° | 180.0° |
| H12 | C10 | C11 | H15 | 38.6° | 60.0° |
| H13 | C10 | C11 | H14 | 83.1° | 60.0° |
| H13 | C10 | C11 | H15 | 157.8° | NaN° |
| H14 | C11 | C12 | H16 | 133.4° | 180.0° |
| H14 | C11 | C12 | H17 | 14.2° | 60.0° |
| H15 | C11 | C12 | H16 | 107.5° | 60.0° |
| H15 | C11 | C12 | H17 | 133.4° | 180.0° |
| H16 | C12 | C13 | H18 | 59.6° | 60.0° |
| H16 | C12 | C13 | H19 | 179.6° | 180.0° |
| H16 | C12 | C13 | H20 | 60.4° | 60.0° |
| H17 | C12 | C13 | H18 | 59.6° | 60.0° |
| H17 | C12 | C13 | H19 | 60.4° | 60.0° |
| H17 | C12 | C13 | H20 | 179.6° | NaN° |
| H18 | C13 | H19 | H20 | 120.0° | 120.0° |
| H23 | C27 | C28 | H25 | 150.3° | 55.0° |
| H23 | C27 | C28 | H26 | 90.0° | 65.0° |
| H24 | C27 | C28 | H25 | 29.9° | 65.0° |
| H24 | C27 | C28 | H26 | 149.7° | 175.0° |
| H25 | C28 | N29 | H60 | 59.8° | 60.0° |
| H25 | C28 | N29 | H61 | 60.1° | 176.1° |
| H26 | C28 | N29 | H60 | 59.9° | 60.0° |
| H26 | C28 | N29 | H61 | 179.8° | 63.9° |
| H27 | C33 | C34 | H29 | 146.5° | 179.9° |
| H27 | C33 | C34 | H30 | 27.4° | 59.9° |
| H28 | C33 | C34 | H29 | 94.2° | 60.0° |
| H28 | C33 | C34 | H30 | 146.7° | 180.0° |
| H29 | C34 | C35 | H31 | 142.8° | 180.0° |
| H29 | C34 | C35 | H32 | 23.4° | 60.0° |
| H30 | C34 | C35 | H31 | 98.1° | 59.9° |
| H30 | C34 | C35 | H32 | 142.5° | 180.0° |
| H31 | C35 | C36 | H33 | 164.9° | 180.0° |
| H31 | C35 | C36 | H34 | 45.9° | 60.0° |
| H32 | C35 | C36 | H33 | 75.7° | 60.0° |
| H32 | C35 | C36 | H34 | 165.3° | 180.0° |
| H33 | C36 | C37 | H35 | 163.1° | 180.0° |
| H33 | C36 | C37 | H36 | 43.8° | 60.0° |
| H34 | C36 | C37 | H35 | 77.8° | 60.0° |
| H34 | C36 | C37 | H36 | 162.8° | 180.0° |
| H35 | C37 | C38 | H37 | 136.6° | 180.0° |
| H35 | C37 | C38 | H38 | 17.5° | 60.0° |
| H36 | C37 | C38 | H37 | 104.0° | 60.0° |
| H36 | C37 | C38 | H38 | 136.8° | 179.9° |
| H37 | C38 | C39 | H39 | 125.7° | 180.0° |
| H37 | C38 | C39 | H40 | 113.9° | 60.0° |
| H38 | C38 | C39 | H39 | 6.6° | 60.0° |
| H38 | C38 | C39 | H40 | 126.9° | 180.0° |
| H39 | C39 | C40 | H41 | 100.9° | 175.0° |
| H40 | C39 | C40 | H41 | 138.7° | 65.0° |
| H41 | C40 | C41 | H42 | 179.8° | 180.0° |
| H42 | C41 | C42 | H43 | 179.0° | 65.0° |
| H42 | C41 | C42 | H44 | 58.6° | 175.0° |
| H43 | C42 | C43 | H45 | 173.9° | 180.0° |
| H43 | C42 | C43 | H46 | 66.6° | 60.0° |
| H44 | C42 | C43 | H45 | 65.8° | 60.0° |
| H44 | C42 | C43 | H46 | 53.8° | 180.0° |
| H45 | C43 | C44 | H47 | 136.1° | 180.0° |
| H45 | C43 | C44 | H48 | 17.1° | 60.0° |
| H46 | C43 | C44 | H47 | 104.4° | 60.0° |
| H46 | C43 | C44 | H48 | 136.6° | 179.9° |
| H47 | C44 | C45 | H49 | 64.2° | 180.0° |
| H47 | C44 | C45 | H50 | 54.8° | 60.0° |
| H48 | C44 | C45 | H49 | 54.8° | 60.0° |
| H48 | C44 | C45 | H50 | 173.8° | 180.0° |
| H49 | C45 | C46 | H51 | 169.4° | 180.0° |
| H49 | C45 | C46 | H52 | 50.0° | 60.0° |
| H50 | C45 | C46 | H51 | 71.7° | 60.0° |
| H50 | C45 | C46 | H52 | 169.0° | 179.9° |
| H51 | C46 | C47 | H53 | 7.3° | 180.0° |
| H51 | C46 | C47 | H54 | 126.5° | 60.0° |
| H52 | C46 | C47 | H53 | 126.7° | 60.0° |
| H52 | C46 | C47 | H54 | 114.2° | 179.9° |
| H53 | C47 | C48 | H55 | 158.2° | 180.0° |
| H53 | C47 | C48 | H56 | 39.0° | 60.0° |
| H54 | C47 | C48 | H55 | 82.7° | 60.0° |
| H54 | C47 | C48 | H56 | 158.1° | 179.9° |
| H55 | C48 | C49 | H57 | 59.6° | 60.0° |
| H55 | C48 | C49 | H58 | 60.4° | 60.0° |
| H55 | C48 | C49 | H59 | 179.6° | NaN° |
| H56 | C48 | C49 | H57 | 59.6° | 180.0° |
| H56 | C48 | C49 | H58 | 179.6° | 60.0° |
| H56 | C48 | C49 | H59 | 60.4° | 60.0° |
| H57 | C49 | H58 | H59 | 120.0° | 120.1° |
