X3D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.53Å | 1.53Å | |
| C02 | C03 | sing | 1.53Å | 1.53Å | |
| C03 | C04 | sing | 1.53Å | 1.53Å | |
| C38 | C37 | sing | 1.53Å | 1.53Å | |
| C04 | C05 | sing | 1.53Å | 1.53Å | |
| C37 | C36 | sing | 1.53Å | 1.53Å | |
| C05 | C06 | sing | 1.53Å | 1.53Å | |
| C36 | C35 | sing | 1.53Å | 1.53Å | |
| C06 | C07 | sing | 1.53Å | 1.52Å | |
| C07 | C08 | sing | 1.53Å | 1.53Å | |
| C35 | C34 | sing | 1.53Å | 1.53Å | |
| C34 | C33 | sing | 1.53Å | 1.53Å | |
| C08 | C09 | sing | 1.53Å | 1.53Å | |
| C09 | C10 | sing | 1.53Å | 1.53Å | |
| C33 | C32 | sing | 1.53Å | 1.53Å | |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C32 | C31 | sing | 1.53Å | 1.53Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.51Å | 1.53Å | |
| C31 | C30 | sing | 1.53Å | 1.53Å | |
| N23 | C22 | sing | 1.47Å | 1.45Å | |
| C14 | O15 | sing | 1.34Å | 1.40Å | |
| C14 | O40 | doub | 1.21Å | 1.18Å | |
| O15 | C16 | sing | 1.45Å | 1.40Å | |
| C30 | C29 | sing | 1.53Å | 1.53Å | |
| C29 | C28 | sing | 1.51Å | 1.53Å | |
| C26 | C16 | sing | 1.53Å | 1.53Å | |
| C26 | O27 | sing | 1.45Å | 1.40Å | |
| C22 | C21 | sing | 1.53Å | 1.53Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C21 | O20 | sing | 1.43Å | 1.40Å | |
| C28 | O27 | sing | 1.34Å | 1.40Å | |
| C28 | O39 | doub | 1.21Å | 1.18Å | |
| O24 | P19 | doub | 1.48Å | 1.51Å | |
| P19 | O20 | sing | 1.61Å | 1.65Å | |
| P19 | O18 | sing | 1.61Å | 1.65Å | |
| P19 | O25 | sing | 1.61Å | 1.51Å | |
| C17 | O18 | sing | 1.43Å | 1.40Å | |
| C17 | H1 | sing | 1.09Å | 1.10Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C16 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C36 | H12 | sing | 1.09Å | 1.10Å | |
| C36 | H13 | sing | 1.09Å | 1.10Å | |
| C35 | H14 | sing | 1.09Å | 1.10Å | |
| C35 | H15 | sing | 1.09Å | 1.10Å | |
| C31 | H16 | sing | 1.09Å | 1.10Å | |
| C31 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C10 | H20 | sing | 1.09Å | 1.10Å | |
| C10 | H21 | sing | 1.09Å | 1.10Å | |
| C30 | H22 | sing | 1.09Å | 1.10Å | |
| C30 | H23 | sing | 1.09Å | 1.10Å | |
| C29 | H24 | sing | 1.09Å | 1.10Å | |
| C29 | H25 | sing | 1.09Å | 1.10Å | |
| C32 | H26 | sing | 1.09Å | 1.10Å | |
| C32 | H27 | sing | 1.09Å | 1.10Å | |
| C34 | H28 | sing | 1.09Å | 1.10Å | |
| C34 | H29 | sing | 1.09Å | 1.10Å | |
| C33 | H30 | sing | 1.09Å | 1.10Å | |
| C33 | H31 | sing | 1.09Å | 1.10Å | |
| C37 | H32 | sing | 1.09Å | 1.10Å | |
| C37 | H33 | sing | 1.09Å | 1.10Å | |
| C38 | H34 | sing | 1.09Å | 1.10Å | |
| C38 | H35 | sing | 1.09Å | 1.10Å | |
| C38 | H36 | sing | 1.09Å | 1.10Å | |
| C01 | H37 | sing | 1.09Å | 1.10Å | |
| C01 | H38 | sing | 1.09Å | 1.10Å | |
| C01 | H39 | sing | 1.09Å | 1.10Å | |
| C02 | H40 | sing | 1.09Å | 1.10Å | |
| C02 | H41 | sing | 1.09Å | 1.10Å | |
| C03 | H42 | sing | 1.09Å | 1.10Å | |
| C03 | H43 | sing | 1.09Å | 1.10Å | |
| C04 | H44 | sing | 1.09Å | 1.10Å | |
| C04 | H45 | sing | 1.09Å | 1.10Å | |
| C05 | H46 | sing | 1.09Å | 1.10Å | |
| C05 | H47 | sing | 1.09Å | 1.10Å | |
| C06 | H48 | sing | 1.09Å | 1.10Å | |
| C06 | H49 | sing | 1.09Å | 1.10Å | |
| C07 | H50 | sing | 1.09Å | 1.10Å | |
| C07 | H51 | sing | 1.09Å | 1.10Å | |
| C08 | H52 | sing | 1.09Å | 1.10Å | |
| C08 | H53 | sing | 1.09Å | 1.10Å | |
| C09 | H54 | sing | 1.09Å | 1.10Å | |
| C09 | H55 | sing | 1.09Å | 1.10Å | |
| C26 | H56 | sing | 1.09Å | 1.10Å | |
| C26 | H57 | sing | 1.09Å | 1.10Å | |
| N23 | H58 | sing | 1.01Å | 1.00Å | |
| N23 | H59 | sing | 1.01Å | 1.00Å | |
| O25 | H61 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 112.3° | 109.5° |
| C02 | C01 | H37 | 109.5° | 109.5° |
| C02 | C01 | H38 | 109.5° | 109.5° |
| C02 | C01 | H39 | 109.5° | 109.5° |
| C01 | C02 | H40 | 108.7° | 109.5° |
| C01 | C02 | H41 | 108.7° | 109.5° |
| C02 | C03 | C04 | 112.1° | 109.5° |
| C03 | C02 | H40 | 108.8° | 109.4° |
| C03 | C02 | H41 | 108.7° | 109.5° |
| C02 | C03 | H42 | 108.8° | 109.5° |
| C02 | C03 | H43 | 108.8° | 109.5° |
| C03 | C04 | C05 | 112.4° | 109.5° |
| C04 | C03 | H42 | 108.8° | 109.5° |
| C04 | C03 | H43 | 108.8° | 109.5° |
| C03 | C04 | H44 | 108.7° | 109.4° |
| C03 | C04 | H45 | 108.7° | 109.5° |
| C38 | C37 | C36 | 112.1° | 109.4° |
| C38 | C37 | H32 | 108.8° | 109.5° |
| C38 | C37 | H33 | 108.8° | 109.5° |
| C37 | C38 | H34 | 109.5° | 109.5° |
| C37 | C38 | H35 | 109.5° | 109.5° |
| C37 | C38 | H36 | 109.5° | 109.5° |
| C04 | C05 | C06 | 112.2° | 109.5° |
| C05 | C04 | H44 | 108.7° | 109.5° |
| C05 | C04 | H45 | 108.7° | 109.5° |
| C04 | C05 | H46 | 108.8° | 109.5° |
| C04 | C05 | H47 | 108.8° | 109.5° |
| C37 | C36 | C35 | 112.0° | 109.4° |
| C37 | C36 | H12 | 108.9° | 109.5° |
| C37 | C36 | H13 | 108.8° | 109.5° |
| C36 | C37 | H32 | 108.8° | 109.4° |
| C36 | C37 | H33 | 108.8° | 109.5° |
| C05 | C06 | C07 | 111.9° | 109.5° |
| C06 | C05 | H46 | 108.8° | 109.4° |
| C06 | C05 | H47 | 108.8° | 109.5° |
| C05 | C06 | H48 | 108.8° | 109.5° |
| C05 | C06 | H49 | 108.8° | 109.5° |
| C36 | C35 | C34 | 112.3° | 109.4° |
| C35 | C36 | H12 | 108.8° | 109.4° |
| C35 | C36 | H13 | 108.8° | 109.5° |
| C36 | C35 | H14 | 108.8° | 109.5° |
| C36 | C35 | H15 | 108.8° | 109.4° |
| C06 | C07 | C08 | 112.9° | 109.5° |
| C07 | C06 | H48 | 108.9° | 109.4° |
| C07 | C06 | H49 | 108.8° | 109.5° |
| C06 | C07 | H50 | 108.6° | 109.5° |
| C06 | C07 | H51 | 108.6° | 109.5° |
| C07 | C08 | C09 | 111.3° | 109.5° |
| C08 | C07 | H50 | 108.6° | 109.5° |
| C08 | C07 | H51 | 108.6° | 109.5° |
| C07 | C08 | H52 | 109.0° | 109.5° |
| C07 | C08 | H53 | 109.0° | 109.5° |
| C35 | C34 | C33 | 111.9° | 109.4° |
| C34 | C35 | H14 | 108.8° | 109.5° |
| C34 | C35 | H15 | 108.8° | 109.5° |
| C35 | C34 | H28 | 108.8° | 109.5° |
| C35 | C34 | H29 | 108.8° | 109.5° |
| C34 | C33 | C32 | 112.3° | 109.4° |
| C33 | C34 | H28 | 108.9° | 109.5° |
| C33 | C34 | H29 | 108.8° | 109.4° |
| C34 | C33 | H30 | 108.8° | 109.4° |
| C34 | C33 | H31 | 108.8° | 109.5° |
| C08 | C09 | C10 | 112.5° | 109.5° |
| C09 | C08 | H52 | 109.0° | 109.4° |
| C09 | C08 | H53 | 109.0° | 109.5° |
| C08 | C09 | H54 | 108.7° | 109.5° |
| C08 | C09 | H55 | 108.7° | 109.5° |
| C09 | C10 | C11 | 111.5° | 109.5° |
| C09 | C10 | H20 | 108.9° | 109.5° |
| C09 | C10 | H21 | 109.0° | 109.4° |
| C10 | C09 | H54 | 108.7° | 109.5° |
| C10 | C09 | H55 | 108.7° | 109.5° |
| C33 | C32 | C31 | 111.7° | 109.4° |
| C33 | C32 | H26 | 108.9° | 109.5° |
| C33 | C32 | H27 | 108.9° | 109.5° |
| C32 | C33 | H30 | 108.8° | 109.5° |
| C32 | C33 | H31 | 108.8° | 109.5° |
| C10 | C11 | C12 | 112.4° | 109.5° |
| C10 | C11 | H6 | 108.7° | 109.5° |
| C10 | C11 | H7 | 108.7° | 109.5° |
| C11 | C10 | H20 | 109.0° | 109.5° |
| C11 | C10 | H21 | 108.9° | 109.5° |
| C11 | C12 | C13 | 111.8° | 109.5° |
| C11 | C12 | H3 | 108.9° | 109.5° |
| C11 | C12 | H4 | 108.9° | 109.5° |
| C12 | C11 | H6 | 108.7° | 109.5° |
| C12 | C11 | H7 | 108.7° | 109.5° |
| C32 | C31 | C30 | 112.5° | 109.4° |
| C32 | C31 | H16 | 108.7° | 109.5° |
| C32 | C31 | H17 | 108.7° | 109.5° |
| C31 | C32 | H26 | 108.9° | 109.5° |
| C31 | C32 | H27 | 108.9° | 109.5° |
| C12 | C13 | C14 | 112.1° | 109.5° |
| C13 | C12 | H3 | 108.9° | 109.4° |
| C13 | C12 | H4 | 108.9° | 109.5° |
| C12 | C13 | H18 | 108.8° | 109.5° |
| C12 | C13 | H19 | 108.8° | 109.5° |
| C13 | C14 | O15 | 119.9° | 120.0° |
| C13 | C14 | O40 | 119.9° | 120.0° |
| C14 | C13 | H18 | 108.8° | 109.5° |
| C14 | C13 | H19 | 108.8° | 109.5° |
| C31 | C30 | C29 | 111.5° | 109.4° |
| C30 | C31 | H16 | 108.7° | 109.5° |
| C30 | C31 | H17 | 108.7° | 109.4° |
| C31 | C30 | H22 | 109.0° | 109.4° |
| C31 | C30 | H23 | 109.0° | 109.5° |
| N23 | C22 | C21 | 110.0° | 109.5° |
| N23 | C22 | H8 | 109.3° | 109.5° |
| N23 | C22 | H9 | 109.3° | 109.5° |
| C22 | N23 | H58 | 109.5° | 111.0° |
| C22 | N23 | H59 | 109.5° | 111.0° |
| O15 | C14 | O40 | 120.2° | 120.0° |
| C14 | O15 | C16 | 114.4° | 117.0° |
| O15 | C16 | C26 | 107.5° | 109.5° |
| O15 | C16 | C17 | 107.9° | 109.5° |
| O15 | C16 | H5 | 110.7° | 109.5° |
| C30 | C29 | C28 | 111.9° | 109.4° |
| C29 | C30 | H22 | 109.0° | 109.5° |
| C29 | C30 | H23 | 109.0° | 109.5° |
| C30 | C29 | H24 | 108.9° | 109.5° |
| C30 | C29 | H25 | 108.9° | 109.5° |
| C29 | C28 | O27 | 119.9° | 120.0° |
| C29 | C28 | O39 | 119.9° | 120.0° |
| C28 | C29 | H24 | 108.9° | 109.5° |
| C28 | C29 | H25 | 108.9° | 109.5° |
| C16 | C26 | O27 | 110.1° | 109.4° |
| C26 | C16 | C17 | 113.1° | 109.5° |
| C26 | C16 | H5 | 108.9° | 109.4° |
| C16 | C26 | H56 | 109.3° | 109.4° |
| C16 | C26 | H57 | 109.3° | 109.4° |
| C26 | O27 | C28 | 112.2° | 117.0° |
| O27 | C26 | H56 | 109.3° | 109.4° |
| O27 | C26 | H57 | 109.3° | 109.5° |
| C22 | C21 | O20 | 108.5° | 109.5° |
| C21 | C22 | H8 | 109.4° | 109.5° |
| C21 | C22 | H9 | 109.4° | 109.4° |
| C22 | C21 | H10 | 109.7° | 109.5° |
| C22 | C21 | H11 | 109.7° | 109.4° |
| C16 | C17 | O18 | 108.6° | 109.4° |
| C16 | C17 | H1 | 109.7° | 109.5° |
| C16 | C17 | H2 | 109.7° | 109.4° |
| C17 | C16 | H5 | 108.8° | 109.5° |
| C21 | O20 | P19 | 117.5° | 123.0° |
| O20 | C21 | H10 | 109.7° | 109.5° |
| O20 | C21 | H11 | 109.7° | 109.5° |
| O27 | C28 | O39 | 120.2° | 120.0° |
| O24 | P19 | O20 | 78.9° | 109.4° |
| O24 | P19 | O18 | 80.0° | 109.5° |
| O24 | P19 | O25 | 130.0° | 109.5° |
| O20 | P19 | O18 | 133.1° | 109.5° |
| O20 | P19 | O25 | 81.1° | 109.5° |
| O18 | P19 | O25 | 81.5° | 109.5° |
| P19 | O18 | C17 | 118.4° | 123.0° |
| P19 | O25 | H61 | 109.5° | 114.0° |
| O18 | C17 | H1 | 109.7° | 109.5° |
| O18 | C17 | H2 | 109.7° | 109.5° |
| H1 | C17 | H2 | 109.5° | 109.5° |
| H3 | C12 | H4 | 109.5° | 109.5° |
| H6 | C11 | H7 | 109.5° | 109.4° |
| H8 | C22 | H9 | 109.5° | 109.4° |
| H10 | C21 | H11 | 109.4° | 109.4° |
| H12 | C36 | H13 | 109.5° | 109.5° |
| H14 | C35 | H15 | 109.4° | 109.5° |
| H16 | C31 | H17 | 109.5° | 109.5° |
| H18 | C13 | H19 | 109.5° | 109.5° |
| H20 | C10 | H21 | 109.5° | 109.5° |
| H22 | C30 | H23 | 109.5° | 109.5° |
| H24 | C29 | H25 | 109.4° | 109.5° |
| H26 | C32 | H27 | 109.5° | 109.5° |
| H28 | C34 | H29 | 109.5° | 109.5° |
| H30 | C33 | H31 | 109.5° | 109.5° |
| H32 | C37 | H33 | 109.5° | 109.5° |
| H34 | C38 | H35 | 109.5° | 109.4° |
| H34 | C38 | H36 | 109.4° | 109.4° |
| H35 | C38 | H36 | 109.4° | 109.5° |
| H37 | C01 | H38 | 109.5° | 109.5° |
| H37 | C01 | H39 | 109.4° | 109.4° |
| H38 | C01 | H39 | 109.5° | 109.5° |
| H40 | C02 | H41 | 109.5° | 109.5° |
| H42 | C03 | H43 | 109.4° | 109.5° |
| H44 | C04 | H45 | 109.5° | 109.5° |
| H46 | C05 | H47 | 109.5° | 109.5° |
| H48 | C06 | H49 | 109.5° | 109.5° |
| H50 | C07 | H51 | 109.5° | 109.5° |
| H52 | C08 | H53 | 109.5° | 109.5° |
| H54 | C09 | H55 | 109.5° | 109.4° |
| H56 | C26 | H57 | 109.4° | 109.5° |
| H58 | N23 | H59 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | H40 | 120.4° | 120.0° |
| C01 | C02 | C03 | H41 | 120.4° | 120.0° |
| C01 | C02 | C03 | C04 | 177.0° | 180.0° |
| C02 | C01 | H37 | H38 | 120.0° | 120.0° |
| C02 | C01 | H37 | H39 | 120.0° | 120.0° |
| C02 | C01 | H38 | H39 | 120.0° | 120.1° |
| C01 | C02 | H40 | H41 | 118.7° | 120.0° |
| C01 | C02 | C03 | H42 | 56.5° | 60.0° |
| C01 | C02 | C03 | H43 | 62.7° | 60.0° |
| C02 | C03 | C04 | H42 | 120.4° | 120.0° |
| C02 | C03 | C04 | H43 | 120.4° | 120.0° |
| C02 | C03 | C04 | C05 | 172.7° | 180.0° |
| C03 | C02 | C01 | H37 | 180.0° | 60.0° |
| C03 | C02 | C01 | H38 | 60.0° | 180.0° |
| C03 | C02 | C01 | H39 | 60.0° | 60.0° |
| C03 | C02 | H40 | H41 | 118.7° | 120.0° |
| C02 | C03 | H42 | H43 | 118.8° | 120.0° |
| C02 | C03 | C04 | H44 | 66.9° | 60.0° |
| C02 | C03 | C04 | H45 | 52.3° | 60.0° |
| C03 | C04 | C05 | H44 | 120.4° | 120.0° |
| C03 | C04 | C05 | H45 | 120.4° | 120.0° |
| C03 | C04 | C05 | C06 | 155.2° | 180.0° |
| C04 | C03 | C02 | H40 | 62.6° | 60.0° |
| C04 | C03 | C02 | H41 | 56.5° | 60.0° |
| C04 | C03 | H42 | H43 | 118.8° | 120.0° |
| C03 | C04 | H44 | H45 | 118.7° | 120.0° |
| C03 | C04 | C05 | H46 | 84.4° | 60.0° |
| C03 | C04 | C05 | H47 | 34.8° | 60.0° |
| C38 | C37 | C36 | H32 | 120.4° | 120.0° |
| C38 | C37 | C36 | H33 | 120.4° | 120.0° |
| C38 | C37 | C36 | C35 | 177.0° | 180.0° |
| C38 | C37 | C36 | H12 | 56.6° | 60.1° |
| C38 | C37 | C36 | H13 | 62.6° | 60.0° |
| C38 | C37 | H32 | H33 | 118.8° | 120.1° |
| C37 | C38 | H34 | H35 | 120.0° | 120.1° |
| C37 | C38 | H34 | H36 | 120.0° | 120.0° |
| C37 | C38 | H35 | H36 | 120.0° | 120.1° |
| C04 | C05 | C06 | H46 | 120.4° | 120.0° |
| C04 | C05 | C06 | H47 | 120.4° | 120.0° |
| C04 | C05 | C06 | C07 | 149.2° | 180.0° |
| C05 | C04 | C03 | H42 | 52.3° | 60.0° |
| C05 | C04 | C03 | H43 | 66.9° | 60.0° |
| C05 | C04 | H44 | H45 | 118.7° | 120.0° |
| C04 | C05 | H46 | H47 | 118.8° | 120.0° |
| C04 | C05 | C06 | H48 | 90.5° | 60.0° |
| C04 | C05 | C06 | H49 | 28.8° | 60.0° |
| C37 | C36 | C35 | H12 | 120.4° | 119.9° |
| C37 | C36 | C35 | H13 | 120.4° | 120.0° |
| C37 | C36 | C35 | C34 | 163.5° | NaN° |
| C37 | C36 | H12 | H13 | 118.9° | 120.1° |
| C37 | C36 | C35 | H14 | 76.0° | 60.0° |
| C37 | C36 | C35 | H15 | 43.1° | 60.1° |
| C36 | C37 | H32 | H33 | 118.8° | 120.0° |
| C36 | C37 | C38 | H34 | 180.0° | 60.0° |
| C36 | C37 | C38 | H35 | 60.0° | 180.0° |
| C36 | C37 | C38 | H36 | 60.0° | 60.0° |
| C05 | C06 | C07 | H48 | 120.4° | 120.0° |
| C05 | C06 | C07 | H49 | 120.4° | 120.0° |
| C05 | C06 | C07 | C08 | 145.5° | 180.0° |
| C06 | C05 | C04 | H44 | 34.8° | 60.0° |
| C06 | C05 | C04 | H45 | 84.3° | 60.0° |
| C06 | C05 | H46 | H47 | 118.8° | 120.0° |
| C05 | C06 | H48 | H49 | 118.9° | 120.0° |
| C05 | C06 | C07 | H50 | 94.0° | 60.0° |
| C05 | C06 | C07 | H51 | 25.0° | 60.0° |
| C36 | C35 | C34 | H14 | 120.4° | 120.0° |
| C36 | C35 | C34 | H15 | 120.4° | 119.9° |
| C36 | C35 | C34 | C33 | 172.7° | NaN° |
| C35 | C36 | H12 | H13 | 118.8° | 120.0° |
| C36 | C35 | H14 | H15 | 118.7° | 120.0° |
| C36 | C35 | C34 | H28 | 52.3° | 60.0° |
| C36 | C35 | C34 | H29 | 67.0° | 60.1° |
| C35 | C36 | C37 | H32 | 62.6° | 60.1° |
| C35 | C36 | C37 | H33 | 56.6° | 60.0° |
| C06 | C07 | C08 | H50 | 120.5° | 120.0° |
| C06 | C07 | C08 | H51 | 120.5° | 120.0° |
| C06 | C07 | C08 | C09 | 171.6° | 180.0° |
| C07 | C06 | C05 | H46 | 28.8° | 60.0° |
| C07 | C06 | C05 | H47 | 90.4° | 60.0° |
| C07 | C06 | H48 | H49 | 118.9° | 120.0° |
| C06 | C07 | H50 | H51 | 118.4° | 120.0° |
| C06 | C07 | C08 | H52 | 68.2° | 60.0° |
| C06 | C07 | C08 | H53 | 51.3° | 60.0° |
| C07 | C08 | C09 | H52 | 120.3° | 120.0° |
| C07 | C08 | C09 | H53 | 120.3° | 120.0° |
| C07 | C08 | C09 | C10 | 123.2° | 180.0° |
| C08 | C07 | C06 | H48 | 25.2° | 60.0° |
| C08 | C07 | C06 | H49 | 94.1° | 60.0° |
| C08 | C07 | H50 | H51 | 118.4° | 120.0° |
| C07 | C08 | H52 | H53 | 119.1° | 120.0° |
| C07 | C08 | C09 | H54 | 116.4° | 60.0° |
| C07 | C08 | C09 | H55 | 2.7° | 60.0° |
| C35 | C34 | C33 | H28 | 120.3° | 120.0° |
| C35 | C34 | C33 | H29 | 120.4° | 119.9° |
| C35 | C34 | C33 | C32 | 140.7° | 180.0° |
| C34 | C35 | C36 | H12 | 43.1° | 60.1° |
| C34 | C35 | C36 | H13 | 76.1° | 60.0° |
| C34 | C35 | H14 | H15 | 118.8° | 120.0° |
| C35 | C34 | H28 | H29 | 118.9° | 120.0° |
| C35 | C34 | C33 | H30 | 20.3° | 60.0° |
| C35 | C34 | C33 | H31 | 98.9° | 60.0° |
| C34 | C33 | C32 | H30 | 120.4° | 119.9° |
| C34 | C33 | C32 | H31 | 120.4° | 120.0° |
| C34 | C33 | C32 | C31 | 146.6° | 180.0° |
| C33 | C34 | C35 | H14 | 66.9° | 60.0° |
| C33 | C34 | C35 | H15 | 52.2° | 60.1° |
| C34 | C33 | C32 | H26 | 93.0° | 60.1° |
| C34 | C33 | C32 | H27 | 26.3° | 60.0° |
| C33 | C34 | H28 | H29 | 118.9° | 120.0° |
| C34 | C33 | H30 | H31 | 118.7° | 120.0° |
| C08 | C09 | C10 | H54 | 120.5° | 120.0° |
| C08 | C09 | C10 | H55 | 120.5° | 120.0° |
| C08 | C09 | C10 | C11 | 139.8° | 180.0° |
| C08 | C09 | C10 | H20 | 19.5° | 60.0° |
| C08 | C09 | C10 | H21 | 99.9° | 60.0° |
| C09 | C08 | C07 | H50 | 51.0° | 60.0° |
| C09 | C08 | C07 | H51 | 67.9° | 60.0° |
| C09 | C08 | H52 | H53 | 119.2° | 120.0° |
| C08 | C09 | H54 | H55 | 118.6° | 120.0° |
| C09 | C10 | C11 | H20 | 120.3° | 120.0° |
| C09 | C10 | C11 | H21 | 120.3° | 120.0° |
| C09 | C10 | C11 | C12 | 163.1° | 180.0° |
| C09 | C10 | C11 | H6 | 76.4° | 60.0° |
| C09 | C10 | C11 | H7 | 42.7° | 60.0° |
| C09 | C10 | H20 | H21 | 119.1° | 119.9° |
| C10 | C09 | C08 | H52 | 2.9° | 60.0° |
| C10 | C09 | C08 | H53 | 116.5° | 60.0° |
| C10 | C09 | H54 | H55 | 118.6° | 120.0° |
| C33 | C32 | C31 | H26 | 120.3° | 120.0° |
| C33 | C32 | C31 | H27 | 120.4° | 120.0° |
| C33 | C32 | C31 | C30 | 164.0° | 180.0° |
| C33 | C32 | C31 | H16 | 75.5° | 60.0° |
| C33 | C32 | C31 | H17 | 43.6° | 60.0° |
| C33 | C32 | H26 | H27 | 119.0° | 120.1° |
| C32 | C33 | C34 | H28 | 99.0° | 60.0° |
| C32 | C33 | C34 | H29 | 20.3° | 60.0° |
| C32 | C33 | H30 | H31 | 118.7° | 120.1° |
| C10 | C11 | C12 | H6 | 120.5° | 120.0° |
| C10 | C11 | C12 | H7 | 120.4° | 120.0° |
| C10 | C11 | C12 | C13 | 165.4° | 180.0° |
| C10 | C11 | C12 | H3 | 45.1° | 60.1° |
| C10 | C11 | C12 | H4 | 74.3° | 60.0° |
| C10 | C11 | H6 | H7 | 118.7° | 120.0° |
| C11 | C10 | H20 | H21 | 119.1° | 120.0° |
| C11 | C10 | C09 | H54 | 99.7° | 60.0° |
| C11 | C10 | C09 | H55 | 19.4° | 60.0° |
| C11 | C12 | C13 | H3 | 120.3° | 120.0° |
| C11 | C12 | C13 | H4 | 120.4° | 120.0° |
| C11 | C12 | C13 | C14 | 135.7° | 180.0° |
| C11 | C12 | H3 | H4 | 119.0° | 120.0° |
| C12 | C11 | H6 | H7 | 118.6° | 120.0° |
| C11 | C12 | C13 | H18 | 15.3° | 60.0° |
| C11 | C12 | C13 | H19 | 103.9° | 60.0° |
| C12 | C11 | C10 | H20 | 42.8° | 60.0° |
| C12 | C11 | C10 | H21 | 76.6° | 60.0° |
| C32 | C31 | C30 | H16 | 120.5° | 120.0° |
| C32 | C31 | C30 | H17 | 120.5° | 119.9° |
| C32 | C31 | C30 | C29 | 134.2° | 180.0° |
| C32 | C31 | H16 | H17 | 118.6° | 120.0° |
| C32 | C31 | C30 | H22 | 105.5° | 60.0° |
| C32 | C31 | C30 | H23 | 13.9° | 60.0° |
| C31 | C32 | H26 | H27 | 118.9° | 120.0° |
| C31 | C32 | C33 | H30 | 26.2° | 60.1° |
| C31 | C32 | C33 | H31 | 93.0° | 60.0° |
| C12 | C13 | C14 | H18 | 120.4° | 120.0° |
| C12 | C13 | C14 | H19 | 120.4° | 120.0° |
| C12 | C13 | C14 | O15 | 107.2° | 180.0° |
| C12 | C13 | C14 | O40 | 72.6° | 0.0° |
| C13 | C12 | H3 | H4 | 118.9° | 120.0° |
| C13 | C12 | C11 | H6 | 74.1° | 60.0° |
| C13 | C12 | C11 | H7 | 45.0° | 60.0° |
| C12 | C13 | H18 | H19 | 118.8° | 120.0° |
| C13 | C14 | O15 | O40 | 179.9° | 179.9° |
| C13 | C14 | O15 | C16 | 95.0° | 180.0° |
| C14 | C13 | C12 | H3 | 103.9° | 60.0° |
| C14 | C13 | C12 | H4 | 15.4° | 60.0° |
| C14 | C13 | H18 | H19 | 118.8° | 120.0° |
| C31 | C30 | C29 | H22 | 120.3° | 119.9° |
| C31 | C30 | C29 | H23 | 120.3° | 120.0° |
| C31 | C30 | C29 | C28 | 93.1° | 180.0° |
| C30 | C31 | H16 | H17 | 118.6° | 120.0° |
| C31 | C30 | H22 | H23 | 119.1° | 120.0° |
| C31 | C30 | C29 | H24 | 146.6° | 60.0° |
| C31 | C30 | C29 | H25 | 27.3° | 60.1° |
| C30 | C31 | C32 | H26 | 43.7° | 60.0° |
| C30 | C31 | C32 | H27 | 75.6° | 60.1° |
| N23 | C22 | C21 | H8 | 120.0° | 120.1° |
| N23 | C22 | C21 | H9 | 120.1° | 120.0° |
| N23 | C22 | C21 | O20 | 135.3° | 65.0° |
| N23 | C22 | H8 | H9 | 119.8° | 120.0° |
| N23 | C22 | C21 | H10 | 15.4° | 175.0° |
| N23 | C22 | C21 | H11 | 104.9° | 55.1° |
| C22 | N23 | H58 | H59 | 120.0° | 124.0° |
| C14 | O15 | C16 | C26 | 96.2° | 150.0° |
| C14 | O15 | C16 | C17 | 141.5° | 90.0° |
| C14 | O15 | C16 | H5 | 22.5° | 30.0° |
| O15 | C14 | C13 | H18 | 13.2° | 60.0° |
| O15 | C14 | C13 | H19 | 132.4° | 60.0° |
| O40 | C14 | O15 | C16 | 84.9° | 0.0° |
| O40 | C14 | C13 | H18 | 167.0° | 120.0° |
| O40 | C14 | C13 | H19 | 47.8° | 120.0° |
| O15 | C16 | C26 | C17 | 119.0° | 120.0° |
| O15 | C16 | C26 | H5 | 119.9° | 120.0° |
| O15 | C16 | C26 | O27 | 143.0° | 65.0° |
| O15 | C16 | C17 | H5 | 120.1° | 120.0° |
| O15 | C16 | C17 | O18 | 61.6° | 65.0° |
| O15 | C16 | C17 | H1 | 178.6° | 55.0° |
| O15 | C16 | C17 | H2 | 58.3° | 175.0° |
| O15 | C16 | C26 | H56 | 96.9° | 175.0° |
| O15 | C16 | C26 | H57 | 22.9° | 55.0° |
| C30 | C29 | C28 | H24 | 120.4° | 120.0° |
| C30 | C29 | C28 | H25 | 120.4° | 119.9° |
| C30 | C29 | C28 | O27 | 171.2° | 180.0° |
| C30 | C29 | C28 | O39 | 8.8° | 0.0° |
| C29 | C30 | C31 | H16 | 13.7° | 60.0° |
| C29 | C30 | C31 | H17 | 105.4° | 60.1° |
| C29 | C30 | H22 | H23 | 119.1° | 120.1° |
| C30 | C29 | H24 | H25 | 118.9° | 120.0° |
| C29 | C28 | O27 | C26 | 86.6° | 180.0° |
| C29 | C28 | O27 | O39 | 179.9° | 180.0° |
| C28 | C29 | C30 | H22 | 27.2° | 60.1° |
| C28 | C29 | C30 | H23 | 146.6° | 60.0° |
| C28 | C29 | H24 | H25 | 118.9° | 120.0° |
| C16 | C26 | O27 | H56 | 120.1° | 119.9° |
| C16 | C26 | O27 | H57 | 120.1° | 120.0° |
| C26 | C16 | C17 | H5 | 121.1° | 120.0° |
| C16 | C26 | O27 | C28 | 148.8° | 180.0° |
| C26 | C16 | C17 | O18 | 179.7° | 55.0° |
| C26 | C16 | C17 | H1 | 59.9° | 175.0° |
| C26 | C16 | C17 | H2 | 60.4° | 64.9° |
| C16 | C26 | H56 | H57 | 119.7° | 120.0° |
| O27 | C26 | C16 | C17 | 24.0° | 55.0° |
| C26 | O27 | C28 | O39 | 93.4° | 0.1° |
| O27 | C26 | C16 | H5 | 97.1° | 175.0° |
| O27 | C26 | H56 | H57 | 119.7° | 120.1° |
| C22 | C21 | O20 | H10 | 119.9° | 120.0° |
| C22 | C21 | O20 | H11 | 119.9° | 120.0° |
| C22 | C21 | O20 | P19 | 127.0° | 180.0° |
| C21 | C22 | H8 | H9 | 119.8° | 120.0° |
| C22 | C21 | H10 | H11 | 120.5° | 119.9° |
| C21 | C22 | N23 | H58 | 180.0° | 56.1° |
| C21 | C22 | N23 | H59 | 60.0° | 180.0° |
| C16 | C17 | O18 | P19 | 105.6° | 180.0° |
| C16 | C17 | O18 | H1 | 119.8° | 120.0° |
| C16 | C17 | O18 | H2 | 119.9° | 119.9° |
| C16 | C17 | H1 | H2 | 120.4° | 120.0° |
| C17 | C16 | C26 | H56 | 144.1° | 64.9° |
| C17 | C16 | C26 | H57 | 96.1° | 175.0° |
| C21 | O20 | P19 | O24 | 82.0° | 55.0° |
| C21 | O20 | P19 | O18 | 146.6° | 175.0° |
| C21 | O20 | P19 | O25 | 144.0° | 65.0° |
| O20 | C21 | C22 | H8 | 104.7° | 175.0° |
| O20 | C21 | C22 | H9 | 15.2° | 55.0° |
| O20 | C21 | H10 | H11 | 120.4° | 120.0° |
| O27 | C28 | C29 | H24 | 68.4° | 60.1° |
| O27 | C28 | C29 | H25 | 50.9° | 60.0° |
| C28 | O27 | C26 | H56 | 28.7° | 60.1° |
| C28 | O27 | C26 | H57 | 91.1° | 60.0° |
| O39 | C28 | C29 | H24 | 111.5° | 120.0° |
| O39 | C28 | C29 | H25 | 129.2° | 120.0° |
| O24 | P19 | O20 | O18 | 64.7° | 120.0° |
| O24 | P19 | O20 | O25 | 134.0° | 120.0° |
| O24 | P19 | O18 | O25 | 133.4° | 120.0° |
| O24 | P19 | O18 | C17 | 110.9° | 55.0° |
| O24 | P19 | O25 | H61 | 0.0° | 180.0° |
| O20 | P19 | O18 | O25 | 69.2° | 120.0° |
| O20 | P19 | O18 | C17 | 175.2° | 175.0° |
| P19 | O20 | C21 | H10 | 7.2° | 60.0° |
| P19 | O20 | C21 | H11 | 113.1° | 60.0° |
| O20 | P19 | O25 | H61 | 67.2° | 60.1° |
| P19 | O18 | C17 | H1 | 134.5° | 60.0° |
| P19 | O18 | C17 | H2 | 14.2° | 60.1° |
| O18 | P19 | O25 | H61 | 69.1° | 59.9° |
| O25 | P19 | O18 | C17 | 115.7° | 65.0° |
| O18 | C17 | H1 | H2 | 120.4° | 120.0° |
| O18 | C17 | C16 | H5 | 58.6° | 175.0° |
| H1 | C17 | C16 | H5 | 61.3° | 65.0° |
| H2 | C17 | C16 | H5 | 178.4° | 55.0° |
| H3 | C12 | C11 | H6 | 165.5° | 60.0° |
| H3 | C12 | C11 | H7 | 75.4° | 179.9° |
| H3 | C12 | C13 | H18 | 135.7° | 180.0° |
| H3 | C12 | C13 | H19 | 16.5° | 59.9° |
| H4 | C12 | C11 | H6 | 46.2° | 180.0° |
| H4 | C12 | C11 | H7 | 165.3° | 60.0° |
| H4 | C12 | C13 | H18 | 105.0° | 60.0° |
| H4 | C12 | C13 | H19 | 135.8° | NaN° |
| H5 | C16 | C26 | H56 | 23.0° | 55.0° |
| H5 | C16 | C26 | H57 | 142.8° | 65.0° |
| H6 | C11 | C10 | H20 | 163.3° | 180.0° |
| H6 | C11 | C10 | H21 | 43.9° | 60.0° |
| H7 | C11 | C10 | H20 | 77.6° | 60.1° |
| H7 | C11 | C10 | H21 | 163.0° | 180.0° |
| H8 | C22 | C21 | H10 | 135.5° | 54.9° |
| H8 | C22 | C21 | H11 | 15.2° | 65.0° |
| H8 | C22 | N23 | H58 | 59.9° | 64.0° |
| H8 | C22 | N23 | H59 | 60.1° | 59.9° |
| H9 | C22 | C21 | H10 | 104.7° | 65.1° |
| H9 | C22 | C21 | H11 | 135.1° | 175.0° |
| H9 | C22 | N23 | H58 | 59.9° | 176.0° |
| H9 | C22 | N23 | H59 | 179.9° | 60.0° |
| H12 | C36 | C35 | H14 | 163.6° | 60.0° |
| H12 | C36 | C35 | H15 | 77.3° | 180.0° |
| H12 | C36 | C37 | H32 | 177.0° | 180.0° |
| H12 | C36 | C37 | H33 | 63.8° | 60.0° |
| H13 | C36 | C35 | H14 | 44.3° | 180.0° |
| H13 | C36 | C35 | H15 | 163.4° | 60.0° |
| H13 | C36 | C37 | H32 | 57.8° | 60.0° |
| H13 | C36 | C37 | H33 | 177.0° | 180.0° |
| H14 | C35 | C34 | H28 | 172.7° | 180.0° |
| H14 | C35 | C34 | H29 | 53.4° | 60.0° |
| H15 | C35 | C34 | H28 | 68.1° | 60.0° |
| H15 | C35 | C34 | H29 | 172.6° | 180.0° |
| H16 | C31 | C30 | H22 | 134.0° | 60.0° |
| H16 | C31 | C30 | H23 | 106.6° | 180.0° |
| H16 | C31 | C32 | H26 | 164.1° | 180.0° |
| H16 | C31 | C32 | H27 | 44.8° | 59.9° |
| H17 | C31 | C30 | H22 | 14.9° | 180.0° |
| H17 | C31 | C30 | H23 | 134.3° | 60.0° |
| H17 | C31 | C32 | H26 | 76.8° | 59.9° |
| H17 | C31 | C32 | H27 | 163.9° | 180.0° |
| H20 | C10 | C09 | H54 | 140.0° | NaN° |
| H20 | C10 | C09 | H55 | 100.9° | 60.1° |
| H21 | C10 | C09 | H54 | 20.6° | 60.0° |
| H21 | C10 | C09 | H55 | 139.7° | 180.0° |
| H22 | C30 | C29 | H24 | 93.1° | 59.9° |
| H22 | C30 | C29 | H25 | 147.6° | 180.0° |
| H23 | C30 | C29 | H24 | 26.3° | 180.0° |
| H23 | C30 | C29 | H25 | 93.0° | 59.9° |
| H26 | C32 | C33 | H30 | 146.5° | 180.0° |
| H26 | C32 | C33 | H31 | 27.4° | 59.9° |
| H27 | C32 | C33 | H30 | 94.2° | 59.9° |
| H27 | C32 | C33 | H31 | 146.7° | 180.0° |
| H28 | C34 | C33 | H30 | 140.6° | 60.0° |
| H28 | C34 | C33 | H31 | 21.5° | 180.0° |
| H29 | C34 | C33 | H30 | 100.1° | 180.0° |
| H29 | C34 | C33 | H31 | 140.7° | 60.0° |
| H32 | C37 | C38 | H34 | 59.7° | 60.0° |
| H32 | C37 | C38 | H35 | 60.4° | 60.1° |
| H32 | C37 | C38 | H36 | 179.7° | 179.9° |
| H33 | C37 | C38 | H34 | 59.6° | 180.0° |
| H33 | C37 | C38 | H35 | 179.6° | 60.0° |
| H33 | C37 | C38 | H36 | 60.4° | 60.0° |
| H34 | C38 | H35 | H36 | 120.0° | 119.9° |
| H37 | C01 | H38 | H39 | 120.0° | 119.9° |
| H37 | C01 | C02 | H40 | 59.6° | 179.9° |
| H37 | C01 | C02 | H41 | 59.6° | 60.0° |
| H38 | C01 | C02 | H40 | 60.4° | 60.1° |
| H38 | C01 | C02 | H41 | 179.6° | 60.0° |
| H39 | C01 | C02 | H40 | 179.5° | 60.0° |
| H39 | C01 | C02 | H41 | 60.4° | 180.0° |
| H40 | C02 | C03 | H42 | 177.0° | 180.0° |
| H40 | C02 | C03 | H43 | 57.8° | 59.9° |
| H41 | C02 | C03 | H42 | 63.9° | 60.0° |
| H41 | C02 | C03 | H43 | 176.9° | 180.0° |
| H42 | C03 | C04 | H44 | 172.7° | 180.0° |
| H42 | C03 | C04 | H45 | 68.1° | 60.0° |
| H43 | C03 | C04 | H44 | 53.5° | 60.0° |
| H43 | C03 | C04 | H45 | 172.7° | 180.0° |
| H44 | C04 | C05 | H46 | 155.2° | 180.0° |
| H44 | C04 | C05 | H47 | 85.6° | 60.0° |
| H45 | C04 | C05 | H46 | 36.0° | 60.0° |
| H45 | C04 | C05 | H47 | 155.3° | 180.0° |
| H46 | C05 | C06 | H48 | 149.1° | 180.0° |
| H46 | C05 | C06 | H49 | 91.6° | 60.0° |
| H47 | C05 | C06 | H48 | 29.9° | 60.0° |
| H47 | C05 | C06 | H49 | 149.2° | 180.0° |
| H48 | C06 | C07 | H50 | 145.7° | 180.0° |
| H48 | C06 | C07 | H51 | 95.3° | 60.0° |
| H49 | C06 | C07 | H50 | 26.4° | 60.0° |
| H49 | C06 | C07 | H51 | 145.4° | NaN° |
| H50 | C07 | C08 | H52 | 171.3° | 180.0° |
| H50 | C07 | C08 | H53 | 69.3° | 60.0° |
| H51 | C07 | C08 | H52 | 52.3° | 59.9° |
| H51 | C07 | C08 | H53 | 171.8° | 180.0° |
| H52 | C08 | C09 | H54 | 123.4° | 60.0° |
| H52 | C08 | C09 | H55 | 117.5° | 180.0° |
| H53 | C08 | C09 | H54 | 3.9° | 180.0° |
| H53 | C08 | C09 | H55 | 123.0° | 60.1° |
