KAL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C25 | C24 | sing | 1.53Å | 1.54Å | |
| C23 | C22 | sing | 1.53Å | 1.54Å | |
| C24 | C22 | sing | 1.53Å | 1.53Å | |
| C24 | O26 | sing | 1.45Å | 1.40Å | |
| C22 | C20 | sing | 1.51Å | 1.54Å | |
| O29 | C27 | doub | 1.22Å | 1.18Å | |
| O26 | C27 | sing | 1.35Å | 1.40Å | |
| C27 | N28 | sing | 1.35Å | 1.46Å | |
| C20 | O21 | doub | 1.21Å | 1.20Å | |
| C20 | N19 | sing | 1.35Å | 1.47Å | |
| N19 | C18 | sing | 1.46Å | 1.46Å | |
| O39 | C37 | doub | 1.22Å | 1.26Å | |
| C18 | C16 | sing | 1.53Å | 1.55Å | |
| C35 | C34 | sing | 1.51Å | 1.52Å | |
| C15 | C16 | sing | 1.53Å | 1.56Å | |
| C15 | C13 | sing | 1.51Å | 1.57Å | |
| C37 | C36 | sing | 1.47Å | 1.53Å | |
| C37 | O38 | sing | 1.35Å | 1.26Å | |
| C16 | O17 | sing | 1.43Å | 1.39Å | |
| C34 | C36 | doub | 1.33Å | 1.34Å | |
| C34 | C33 | sing | 1.51Å | 1.53Å | |
| C11 | C10 | sing | 1.53Å | 1.54Å | |
| C13 | C12 | sing | 1.51Å | 1.53Å | |
| C13 | O14 | doub | 1.21Å | 1.20Å | |
| C33 | C31 | sing | 1.53Å | 1.53Å | |
| C12 | C10 | sing | 1.53Å | 1.54Å | |
| C10 | C09 | sing | 1.53Å | 1.54Å | |
| C09 | C08 | sing | 1.51Å | 1.55Å | |
| C31 | C32 | sing | 1.53Å | 1.53Å | |
| C31 | C30 | sing | 1.53Å | 1.51Å | |
| C08 | C07 | doub | 1.33Å | 1.33Å | |
| C07 | C06 | sing | 1.47Å | 1.52Å | |
| C30 | C02 | sing | 1.51Å | 1.53Å | |
| C04 | C03 | sing | 1.53Å | 1.54Å | |
| C04 | C05 | sing | 1.51Å | 1.51Å | |
| C03 | C02 | sing | 1.51Å | 1.54Å | |
| C02 | C01 | doub | 1.31Å | 1.31Å | |
| C06 | C05 | doub | 1.33Å | 1.31Å | |
| C01 | H1 | sing | 1.08Å | 1.08Å | |
| C01 | H2 | sing | 1.08Å | 1.08Å | |
| C03 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.09Å | 1.10Å | |
| C04 | H5 | sing | 1.09Å | 1.10Å | |
| C04 | H6 | sing | 1.09Å | 1.10Å | |
| C05 | H7 | sing | 1.08Å | 1.08Å | |
| C06 | H8 | sing | 1.08Å | 1.08Å | |
| C07 | H9 | sing | 1.08Å | 1.08Å | |
| C08 | H10 | sing | 1.08Å | 1.08Å | |
| C09 | H11 | sing | 1.09Å | 1.10Å | |
| C09 | 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 | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| O17 | H22 | sing | 0.97Å | 0.95Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| N19 | H25 | sing | 0.97Å | 1.00Å | |
| C22 | H26 | sing | 1.09Å | 1.10Å | |
| C23 | H27 | sing | 1.09Å | 1.10Å | |
| C23 | H28 | sing | 1.09Å | 1.10Å | |
| C23 | H29 | sing | 1.09Å | 1.10Å | |
| C24 | H30 | sing | 1.09Å | 1.10Å | |
| C25 | H31 | sing | 1.09Å | 1.10Å | |
| C25 | H32 | sing | 1.09Å | 1.10Å | |
| C25 | H33 | sing | 1.09Å | 1.10Å | |
| N28 | H34 | sing | 0.97Å | 1.00Å | |
| N28 | H35 | sing | 0.97Å | 1.00Å | |
| C30 | H36 | sing | 1.09Å | 1.10Å | |
| C30 | H37 | sing | 1.09Å | 1.10Å | |
| C31 | H38 | sing | 1.09Å | 1.10Å | |
| C32 | H39 | sing | 1.09Å | 1.10Å | |
| C32 | H40 | sing | 1.09Å | 1.10Å | |
| C32 | H41 | sing | 1.09Å | 1.10Å | |
| C33 | H42 | sing | 1.09Å | 1.10Å | |
| C33 | H43 | sing | 1.09Å | 1.10Å | |
| C35 | H44 | sing | 1.09Å | 1.10Å | |
| C35 | H45 | sing | 1.09Å | 1.10Å | |
| C35 | H46 | sing | 1.09Å | 1.10Å | |
| C36 | H47 | sing | 1.08Å | 1.08Å | |
| O38 | H48 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | C24 | C22 | 108.6° | 109.5° |
| C25 | C24 | O26 | 117.0° | 109.4° |
| C25 | C24 | H30 | 108.6° | 109.5° |
| C24 | C25 | H31 | 109.5° | 109.5° |
| C24 | C25 | H32 | 109.5° | 109.4° |
| C24 | C25 | H33 | 109.5° | 109.4° |
| C23 | C22 | C24 | 110.7° | 109.5° |
| C23 | C22 | C20 | 115.8° | 109.5° |
| C23 | C22 | H26 | 108.4° | 109.4° |
| C22 | C23 | H27 | 109.5° | 109.4° |
| C22 | C23 | H28 | 109.5° | 109.5° |
| C22 | C23 | H29 | 109.5° | 109.5° |
| C22 | C24 | O26 | 102.9° | 109.5° |
| C24 | C22 | C20 | 104.7° | 109.5° |
| C24 | C22 | H26 | 108.6° | 109.4° |
| C22 | C24 | H30 | 108.8° | 109.5° |
| C24 | O26 | C27 | 122.7° | 117.0° |
| O26 | C24 | H30 | 110.6° | 109.5° |
| C22 | C20 | O21 | 120.5° | 120.0° |
| C22 | C20 | N19 | 116.5° | 120.1° |
| C20 | C22 | H26 | 108.3° | 109.5° |
| O29 | C27 | O26 | 122.0° | 120.0° |
| O29 | C27 | N28 | 119.4° | 119.9° |
| O26 | C27 | N28 | 118.5° | 120.0° |
| C27 | N28 | H34 | 120.0° | 120.0° |
| C27 | N28 | H35 | 120.0° | 120.0° |
| O21 | C20 | N19 | 123.0° | 119.9° |
| C20 | N19 | C18 | 122.1° | 120.0° |
| C20 | N19 | H25 | 119.0° | 119.9° |
| N19 | C18 | C16 | 109.3° | 109.5° |
| N19 | C18 | H23 | 109.5° | 109.5° |
| N19 | C18 | H24 | 109.5° | 109.5° |
| C18 | N19 | H25 | 118.9° | 120.0° |
| O39 | C37 | C36 | 121.5° | 120.0° |
| O39 | C37 | O38 | 118.3° | 119.9° |
| C18 | C16 | C15 | 111.5° | 109.5° |
| C18 | C16 | O17 | 106.8° | 109.4° |
| C18 | C16 | H21 | 107.9° | 109.4° |
| C16 | C18 | H23 | 109.5° | 109.5° |
| C16 | C18 | H24 | 109.5° | 109.4° |
| C35 | C34 | C36 | 123.8° | 120.0° |
| C35 | C34 | C33 | 115.9° | 120.0° |
| C34 | C35 | H44 | 109.5° | 109.4° |
| C34 | C35 | H45 | 109.5° | 109.5° |
| C34 | C35 | H46 | 109.5° | 109.5° |
| C16 | C15 | C13 | 123.6° | 109.5° |
| C15 | C16 | O17 | 112.7° | 109.5° |
| C16 | C15 | H19 | 105.8° | 109.5° |
| C16 | C15 | H20 | 105.8° | 109.5° |
| C15 | C16 | H21 | 107.8° | 109.5° |
| C15 | C13 | C12 | 114.6° | 120.0° |
| C15 | C13 | O14 | 126.5° | 120.0° |
| C13 | C15 | H19 | 105.9° | 109.5° |
| C13 | C15 | H20 | 105.8° | 109.5° |
| C36 | C37 | O38 | 120.2° | 120.0° |
| C37 | C36 | C34 | 124.5° | 120.0° |
| C37 | C36 | H47 | 117.8° | 120.0° |
| C37 | O38 | H48 | 109.5° | 117.1° |
| O17 | C16 | H21 | 110.1° | 109.5° |
| C16 | O17 | H22 | 109.5° | 114.0° |
| C36 | C34 | C33 | 120.4° | 120.0° |
| C34 | C36 | H47 | 117.7° | 120.0° |
| C34 | C33 | C31 | 111.8° | 109.5° |
| C34 | C33 | H42 | 108.9° | 109.5° |
| C34 | C33 | H43 | 108.9° | 109.4° |
| C11 | C10 | C12 | 111.4° | 109.5° |
| C11 | C10 | C09 | 109.2° | 109.5° |
| C11 | C10 | H13 | 109.7° | 109.5° |
| C10 | C11 | H14 | 109.5° | 109.4° |
| C10 | C11 | H15 | 109.5° | 109.4° |
| C10 | C11 | H16 | 109.5° | 109.5° |
| C12 | C13 | O14 | 118.8° | 120.0° |
| C13 | C12 | C10 | 117.9° | 109.5° |
| C13 | C12 | H17 | 107.3° | 109.5° |
| C13 | C12 | H18 | 107.3° | 109.5° |
| C33 | C31 | C32 | 110.4° | 109.5° |
| C33 | C31 | C30 | 108.4° | 109.5° |
| C33 | C31 | H38 | 109.2° | 109.4° |
| C31 | C33 | H42 | 108.8° | 109.4° |
| C31 | C33 | H43 | 108.9° | 109.5° |
| C12 | C10 | C09 | 107.3° | 109.5° |
| C12 | C10 | H13 | 109.6° | 109.5° |
| C10 | C12 | H17 | 107.4° | 109.5° |
| C10 | C12 | H18 | 107.3° | 109.5° |
| C10 | C09 | C08 | 112.4° | 109.5° |
| C10 | C09 | H11 | 108.7° | 109.5° |
| C10 | C09 | H12 | 108.7° | 109.5° |
| C09 | C10 | H13 | 109.6° | 109.4° |
| C09 | C08 | C07 | 120.7° | 120.0° |
| C09 | C08 | H10 | 119.6° | 120.0° |
| C08 | C09 | H11 | 108.7° | 109.5° |
| C08 | C09 | H12 | 108.7° | 109.4° |
| C32 | C31 | C30 | 110.1° | 109.5° |
| C32 | C31 | H38 | 109.2° | 109.5° |
| C31 | C32 | H39 | 109.5° | 109.5° |
| C31 | C32 | H40 | 109.5° | 109.5° |
| C31 | C32 | H41 | 109.5° | 109.5° |
| C31 | C30 | C02 | 114.3° | 109.5° |
| C31 | C30 | H36 | 108.3° | 109.4° |
| C31 | C30 | H37 | 108.3° | 109.5° |
| C30 | C31 | H38 | 109.5° | 109.5° |
| C08 | C07 | C06 | 118.5° | 120.0° |
| C08 | C07 | H9 | 120.7° | 120.0° |
| C07 | C08 | H10 | 119.6° | 120.0° |
| C07 | C06 | C05 | 125.2° | 120.0° |
| C07 | C06 | H8 | 117.4° | 120.0° |
| C06 | C07 | H9 | 120.7° | 120.0° |
| C30 | C02 | C03 | 123.8° | 120.0° |
| C30 | C02 | C01 | 117.2° | 119.9° |
| C02 | C30 | H36 | 108.2° | 109.5° |
| C02 | C30 | H37 | 108.2° | 109.4° |
| C03 | C04 | C05 | 111.5° | 109.5° |
| C04 | C03 | C02 | 117.8° | 109.5° |
| C04 | C03 | H3 | 107.4° | 109.5° |
| C04 | C03 | H4 | 107.4° | 109.4° |
| C03 | C04 | H5 | 109.0° | 109.5° |
| C03 | C04 | H6 | 108.9° | 109.5° |
| C04 | C05 | C06 | 122.9° | 120.0° |
| C05 | C04 | H5 | 108.9° | 109.5° |
| C05 | C04 | H6 | 109.0° | 109.4° |
| C04 | C05 | H7 | 118.5° | 120.0° |
| C03 | C02 | C01 | 119.0° | 120.1° |
| C02 | C03 | H3 | 107.4° | 109.5° |
| C02 | C03 | H4 | 107.3° | 109.5° |
| C02 | C01 | H1 | 120.0° | 120.1° |
| C02 | C01 | H2 | 120.0° | 119.9° |
| C06 | C05 | H7 | 118.6° | 120.0° |
| C05 | C06 | H8 | 117.4° | 120.0° |
| H1 | C01 | H2 | 120.0° | 120.0° |
| H3 | C03 | H4 | 109.5° | 109.4° |
| H5 | C04 | H6 | 109.5° | 109.4° |
| H11 | C09 | H12 | 109.5° | 109.5° |
| H14 | C11 | H15 | 109.5° | 109.5° |
| H14 | C11 | H16 | 109.5° | 109.5° |
| H15 | C11 | H16 | 109.5° | 109.5° |
| H17 | C12 | H18 | 109.4° | 109.4° |
| H19 | C15 | H20 | 109.5° | 109.5° |
| H23 | C18 | H24 | 109.5° | 109.5° |
| H27 | C23 | H28 | 109.5° | 109.5° |
| H27 | C23 | H29 | 109.4° | 109.5° |
| H28 | C23 | H29 | 109.5° | 109.5° |
| H31 | C25 | H32 | 109.5° | 109.5° |
| H31 | C25 | H33 | 109.5° | 109.5° |
| H32 | C25 | H33 | 109.5° | 109.5° |
| H34 | N28 | H35 | 120.0° | 120.0° |
| H36 | C30 | H37 | 109.5° | 109.5° |
| H39 | C32 | H40 | 109.4° | 109.5° |
| H39 | C32 | H41 | 109.5° | 109.5° |
| H40 | C32 | H41 | 109.5° | 109.5° |
| H42 | C33 | H43 | 109.5° | 109.5° |
| H44 | C35 | H45 | 109.4° | 109.5° |
| H44 | C35 | H46 | 109.4° | 109.5° |
| H45 | C35 | H46 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C25 | C24 | C22 | C23 | 75.5° | NaN° |
| C25 | C24 | C22 | O26 | 124.6° | 120.0° |
| C25 | C24 | C22 | H30 | 118.1° | 120.0° |
| C25 | C24 | O26 | H30 | 125.0° | 120.0° |
| C25 | C24 | C22 | C20 | 159.0° | 60.0° |
| C25 | C24 | O26 | C27 | 52.9° | 90.0° |
| C25 | C24 | C22 | H26 | 43.5° | 60.1° |
| C24 | C25 | H31 | H32 | 120.0° | 120.0° |
| C24 | C25 | H31 | H33 | 120.0° | 120.0° |
| C24 | C25 | H32 | H33 | 120.0° | 119.9° |
| C23 | C22 | C24 | C20 | 125.5° | 120.0° |
| C23 | C22 | C24 | H26 | 118.9° | 119.9° |
| C23 | C22 | C24 | O26 | 159.9° | 60.0° |
| C23 | C22 | C20 | H26 | 122.1° | 120.0° |
| C23 | C22 | C20 | O21 | 66.8° | 120.0° |
| C23 | C22 | C20 | N19 | 115.8° | 60.0° |
| C22 | C23 | H27 | H28 | 120.0° | 120.0° |
| C22 | C23 | H27 | H29 | 120.0° | 120.0° |
| C22 | C23 | H28 | H29 | 120.0° | 120.0° |
| C23 | C22 | C24 | H30 | 42.6° | 60.0° |
| C22 | C24 | O26 | H30 | 116.0° | 120.1° |
| C24 | C22 | C20 | H26 | 115.7° | 120.0° |
| C22 | C24 | O26 | C27 | 171.8° | 150.0° |
| C24 | C22 | C20 | O21 | 55.4° | 0.0° |
| C24 | C22 | C20 | N19 | 122.0° | 180.0° |
| C24 | C22 | C23 | H27 | 180.0° | 60.0° |
| C24 | C22 | C23 | H28 | 60.0° | 180.0° |
| C24 | C22 | C23 | H29 | 60.0° | 60.0° |
| C22 | C24 | C25 | H31 | 180.0° | 60.0° |
| C22 | C24 | C25 | H32 | 60.0° | 180.0° |
| C22 | C24 | C25 | H33 | 60.0° | 60.1° |
| O26 | C24 | C22 | C20 | 34.4° | 60.0° |
| C24 | O26 | C27 | O29 | 43.7° | 0.0° |
| C24 | O26 | C27 | N28 | 137.1° | 180.0° |
| O26 | C24 | C22 | H26 | 81.2° | 180.0° |
| O26 | C24 | C25 | H31 | 64.1° | 60.0° |
| O26 | C24 | C25 | H32 | 175.9° | 60.0° |
| O26 | C24 | C25 | H33 | 55.9° | 180.0° |
| C22 | C20 | O21 | N19 | 177.3° | 180.0° |
| C22 | C20 | N19 | C18 | 177.2° | 180.0° |
| C22 | C20 | N19 | H25 | 2.8° | 0.0° |
| C20 | C22 | C23 | H27 | 61.0° | 60.0° |
| C20 | C22 | C23 | H28 | 179.0° | 60.0° |
| C20 | C22 | C23 | H29 | 59.0° | 180.0° |
| C20 | C22 | C24 | H30 | 82.9° | 180.0° |
| O29 | C27 | O26 | N28 | 179.2° | 180.0° |
| O29 | C27 | N28 | H34 | 0.0° | 180.0° |
| O29 | C27 | N28 | H35 | 180.0° | 0.0° |
| C27 | O26 | C24 | H30 | 72.1° | 29.9° |
| O26 | C27 | N28 | H34 | 179.3° | 0.0° |
| O26 | C27 | N28 | H35 | 0.8° | 180.0° |
| C27 | N28 | H34 | H35 | 180.0° | 180.0° |
| O21 | C20 | N19 | C18 | 0.1° | 0.1° |
| O21 | C20 | N19 | H25 | 179.9° | 180.0° |
| O21 | C20 | C22 | H26 | 171.2° | 120.0° |
| C20 | N19 | C18 | H25 | 180.0° | 179.9° |
| C20 | N19 | C18 | C16 | 80.2° | 180.0° |
| C20 | N19 | C18 | H23 | 159.8° | 59.9° |
| C20 | N19 | C18 | H24 | 39.8° | 60.1° |
| N19 | C20 | C22 | H26 | 6.3° | 60.0° |
| N19 | C18 | C16 | H23 | 120.0° | 120.0° |
| N19 | C18 | C16 | H24 | 120.0° | 120.0° |
| N19 | C18 | C16 | C15 | 58.5° | 179.9° |
| N19 | C18 | C16 | O17 | 178.0° | 60.0° |
| N19 | C18 | C16 | H21 | 59.7° | 60.0° |
| N19 | C18 | H23 | H24 | 120.1° | 120.0° |
| O39 | C37 | C36 | O38 | 179.5° | 179.9° |
| O39 | C37 | C36 | C34 | 29.5° | 6.0° |
| O39 | C37 | C36 | H47 | 150.5° | 174.0° |
| O39 | C37 | O38 | H48 | 0.0° | 0.1° |
| C18 | C16 | C15 | O17 | 120.1° | 120.0° |
| C18 | C16 | C15 | H21 | 118.2° | 120.0° |
| C18 | C16 | C15 | C13 | 167.0° | 175.0° |
| C18 | C16 | O17 | H21 | 116.8° | 120.0° |
| C18 | C16 | C15 | H19 | 71.0° | 65.0° |
| C18 | C16 | C15 | H20 | 45.1° | 55.0° |
| C18 | C16 | O17 | H22 | 180.0° | 60.1° |
| C16 | C18 | H23 | H24 | 120.0° | 120.0° |
| C16 | C18 | N19 | H25 | 99.8° | 0.0° |
| C35 | C34 | C36 | C37 | 0.5° | 7.6° |
| C35 | C34 | C36 | C33 | 178.6° | 179.9° |
| C35 | C34 | C33 | C31 | 53.5° | 85.0° |
| C35 | C34 | C33 | H42 | 173.8° | 155.0° |
| C35 | C34 | C33 | H43 | 66.8° | 35.1° |
| C34 | C35 | H44 | H45 | 120.0° | 120.0° |
| C34 | C35 | H44 | H46 | 120.0° | 120.0° |
| C34 | C35 | H45 | H46 | 120.0° | 120.0° |
| C35 | C34 | C36 | H47 | 179.5° | 172.4° |
| C16 | C15 | C13 | H19 | 121.9° | 120.0° |
| C16 | C15 | C13 | H20 | 121.9° | 120.0° |
| C15 | C16 | O17 | H21 | 120.3° | 120.0° |
| C16 | C15 | C13 | C12 | 158.0° | 180.0° |
| C16 | C15 | C13 | O14 | 22.1° | 0.0° |
| C16 | C15 | H19 | H20 | 113.6° | 120.0° |
| C15 | C16 | O17 | H22 | 57.2° | 59.9° |
| C15 | C16 | C18 | H23 | 61.5° | 60.0° |
| C15 | C16 | C18 | H24 | 178.4° | 60.0° |
| C13 | C15 | C16 | O17 | 46.9° | 65.0° |
| C15 | C13 | C12 | O14 | 179.9° | 180.0° |
| C15 | C13 | C12 | C10 | 164.8° | 180.0° |
| C15 | C13 | C12 | H17 | 43.6° | 60.0° |
| C15 | C13 | C12 | H18 | 73.9° | 60.0° |
| C13 | C15 | H19 | H20 | 113.7° | 120.0° |
| C13 | C15 | C16 | H21 | 74.7° | 55.0° |
| C37 | C36 | C34 | H47 | 180.0° | 179.9° |
| C37 | C36 | C34 | C33 | 179.2° | 172.5° |
| C36 | C37 | O38 | H48 | 179.5° | 180.0° |
| O38 | C37 | C36 | C34 | 151.0° | 174.0° |
| O38 | C37 | C36 | H47 | 29.0° | 5.9° |
| O17 | C16 | C15 | H19 | 168.9° | 55.0° |
| O17 | C16 | C15 | H20 | 75.0° | 175.0° |
| O17 | C16 | C18 | H23 | 62.0° | 60.0° |
| O17 | C16 | C18 | H24 | 58.0° | 180.0° |
| C36 | C34 | C33 | C31 | 127.8° | 95.0° |
| C36 | C34 | C33 | H42 | 7.4° | 25.0° |
| C36 | C34 | C33 | H43 | 111.9° | 145.0° |
| C36 | C34 | C35 | H44 | 180.0° | 83.5° |
| C36 | C34 | C35 | H45 | 60.0° | 156.6° |
| C36 | C34 | C35 | H46 | 60.0° | 36.5° |
| C34 | C33 | C31 | H42 | 120.4° | 120.0° |
| C34 | C33 | C31 | H43 | 120.4° | 120.0° |
| C34 | C33 | C31 | C32 | 162.8° | 65.0° |
| C34 | C33 | C31 | C30 | 76.5° | 175.0° |
| C34 | C33 | C31 | H38 | 42.7° | 55.0° |
| C34 | C33 | H42 | H43 | 119.0° | 119.9° |
| C33 | C34 | C35 | H44 | 1.3° | 96.6° |
| C33 | C34 | C35 | H45 | 118.7° | 23.4° |
| C33 | C34 | C35 | H46 | 121.3° | 143.4° |
| C33 | C34 | C36 | H47 | 0.8° | 7.6° |
| C11 | C10 | C12 | C13 | 67.3° | 65.0° |
| C11 | C10 | C12 | C09 | 119.5° | 120.0° |
| C11 | C10 | C12 | H13 | 121.6° | 120.0° |
| C11 | C10 | C09 | H13 | 120.2° | 120.0° |
| C11 | C10 | C09 | C08 | 164.2° | 65.0° |
| C11 | C10 | C09 | H11 | 43.7° | 175.0° |
| C11 | C10 | C09 | H12 | 75.4° | 55.0° |
| C10 | C11 | H14 | H15 | 120.0° | 120.0° |
| C10 | C11 | H14 | H16 | 120.0° | 120.0° |
| C10 | C11 | H15 | H16 | 120.0° | 120.0° |
| C11 | C10 | C12 | H17 | 53.9° | 175.0° |
| C11 | C10 | C12 | H18 | 171.5° | 55.0° |
| C13 | C12 | C10 | H17 | 121.2° | 120.0° |
| C13 | C12 | C10 | H18 | 121.2° | 120.0° |
| C13 | C12 | C10 | C09 | 173.2° | 175.0° |
| C13 | C12 | C10 | H13 | 54.3° | 55.0° |
| C13 | C12 | H17 | H18 | 116.2° | 120.0° |
| C12 | C13 | C15 | H19 | 80.1° | 60.0° |
| C12 | C13 | C15 | H20 | 36.1° | 60.0° |
| O14 | C13 | C12 | C10 | 15.1° | 0.0° |
| O14 | C13 | C12 | H17 | 136.3° | 120.0° |
| O14 | C13 | C12 | H18 | 106.1° | 120.1° |
| O14 | C13 | C15 | H19 | 99.9° | 120.0° |
| O14 | C13 | C15 | H20 | 144.0° | 120.0° |
| C33 | C31 | C32 | C30 | 119.7° | 120.1° |
| C33 | C31 | C32 | H38 | 120.1° | 119.9° |
| C33 | C31 | C30 | H38 | 119.1° | 120.0° |
| C33 | C31 | C30 | C02 | 163.5° | 175.4° |
| C33 | C31 | C30 | H36 | 75.8° | 64.5° |
| C33 | C31 | C30 | H37 | 42.8° | 55.4° |
| C33 | C31 | C32 | H39 | 180.0° | 64.0° |
| C33 | C31 | C32 | H40 | 60.0° | 176.0° |
| C33 | C31 | C32 | H41 | 60.0° | 56.0° |
| C31 | C33 | H42 | H43 | 118.9° | 120.0° |
| C12 | C10 | C09 | H13 | 118.9° | 120.0° |
| C12 | C10 | C09 | C08 | 74.9° | 175.0° |
| C12 | C10 | C09 | H11 | 164.6° | 55.0° |
| C12 | C10 | C09 | H12 | 45.5° | 65.1° |
| C12 | C10 | C11 | H14 | 180.0° | 180.0° |
| C12 | C10 | C11 | H15 | 60.0° | 60.0° |
| C12 | C10 | C11 | H16 | 60.0° | 60.0° |
| C10 | C12 | H17 | H18 | 116.2° | 120.0° |
| C10 | C09 | C08 | H11 | 120.5° | 120.0° |
| C10 | C09 | C08 | H12 | 120.4° | 120.0° |
| C10 | C09 | C08 | C07 | 151.9° | 125.0° |
| C10 | C09 | C08 | H10 | 28.1° | 55.1° |
| C10 | C09 | H11 | H12 | 118.6° | 120.0° |
| C09 | C10 | C11 | H14 | 61.6° | 60.0° |
| C09 | C10 | C11 | H15 | 178.4° | 180.0° |
| C09 | C10 | C11 | H16 | 58.4° | 60.0° |
| C09 | C10 | C12 | H17 | 65.6° | 55.0° |
| C09 | C10 | C12 | H18 | 52.0° | 65.0° |
| C09 | C08 | C07 | H10 | 180.0° | 179.9° |
| C09 | C08 | C07 | C06 | 179.9° | 180.0° |
| C09 | C08 | C07 | H9 | 0.0° | 0.0° |
| C08 | C09 | H11 | H12 | 118.6° | 120.0° |
| C08 | C09 | C10 | H13 | 44.0° | 55.0° |
| C32 | C31 | C30 | H38 | 120.1° | 120.0° |
| C32 | C31 | C30 | C02 | 42.7° | 64.6° |
| C32 | C31 | C30 | H36 | 163.4° | 55.5° |
| C32 | C31 | C30 | H37 | 78.0° | 175.5° |
| C31 | C32 | H39 | H40 | 120.0° | 120.0° |
| C31 | C32 | H39 | H41 | 120.0° | 120.0° |
| C31 | C32 | H40 | H41 | 120.0° | 120.0° |
| C32 | C31 | C33 | H42 | 76.9° | 55.0° |
| C32 | C31 | C33 | H43 | 42.4° | 175.0° |
| C31 | C30 | C02 | H36 | 120.7° | 120.0° |
| C31 | C30 | C02 | H37 | 120.7° | 120.0° |
| C31 | C30 | C02 | C03 | 45.0° | 84.8° |
| C31 | C30 | C02 | C01 | 135.1° | 95.2° |
| C31 | C30 | H36 | H37 | 117.8° | 120.0° |
| C30 | C31 | C32 | H39 | 60.3° | 175.9° |
| C30 | C31 | C32 | H40 | 59.7° | 55.9° |
| C30 | C31 | C32 | H41 | 179.7° | 64.0° |
| C30 | C31 | C33 | H42 | 43.8° | 65.0° |
| C30 | C31 | C33 | H43 | 163.1° | 55.0° |
| C08 | C07 | C06 | H9 | 180.0° | 180.0° |
| C08 | C07 | C06 | C05 | 177.4° | 174.2° |
| C08 | C07 | C06 | H8 | 2.6° | 5.7° |
| C07 | C08 | C09 | H11 | 87.6° | 115.0° |
| C07 | C08 | C09 | H12 | 31.5° | 5.0° |
| C07 | C06 | C05 | C04 | 0.2° | 5.9° |
| C07 | C06 | C05 | H8 | 180.0° | 180.0° |
| C07 | C06 | C05 | H7 | 179.8° | 174.1° |
| C06 | C07 | C08 | H10 | 0.0° | 0.0° |
| C30 | C02 | C03 | C04 | 58.4° | 86.8° |
| C30 | C02 | C03 | C01 | 179.9° | 180.0° |
| C30 | C02 | C01 | H1 | 179.9° | 0.1° |
| C30 | C02 | C01 | H2 | 0.1° | 179.7° |
| C30 | C02 | C03 | H3 | 62.8° | 33.2° |
| C30 | C02 | C03 | H4 | 179.6° | 153.2° |
| C02 | C30 | H36 | H37 | 117.8° | 120.0° |
| C02 | C30 | C31 | H38 | 77.4° | 55.4° |
| C03 | C04 | C05 | H5 | 120.3° | 120.1° |
| C03 | C04 | C05 | H6 | 120.3° | 120.0° |
| C04 | C03 | C02 | H3 | 121.2° | 120.1° |
| C04 | C03 | C02 | H4 | 121.2° | 120.0° |
| C04 | C03 | C02 | C01 | 121.5° | 93.2° |
| C03 | C04 | C05 | C06 | 114.2° | 124.0° |
| C04 | C03 | H3 | H4 | 116.2° | 119.9° |
| C03 | C04 | H5 | H6 | 119.0° | 120.0° |
| C03 | C04 | C05 | H7 | 65.9° | 56.0° |
| C05 | C04 | C03 | C02 | 60.6° | 180.0° |
| C04 | C05 | C06 | H7 | 180.0° | 180.0° |
| C05 | C04 | C03 | H3 | 178.2° | 60.0° |
| C05 | C04 | C03 | H4 | 60.6° | 60.0° |
| C05 | C04 | H5 | H6 | 119.1° | 119.9° |
| C04 | C05 | C06 | H8 | 179.8° | 174.2° |
| C03 | C02 | C01 | H1 | 0.0° | 180.0° |
| C03 | C02 | C01 | H2 | 180.0° | 0.3° |
| C02 | C03 | H3 | H4 | 116.2° | 120.0° |
| C02 | C03 | C04 | H5 | 179.1° | 59.9° |
| C02 | C03 | C04 | H6 | 59.7° | 60.0° |
| C03 | C02 | C30 | H36 | 75.7° | 155.2° |
| C03 | C02 | C30 | H37 | 165.7° | 35.2° |
| C02 | C01 | H1 | H2 | 180.0° | 179.7° |
| C01 | C02 | C03 | H3 | 117.3° | 146.7° |
| C01 | C02 | C03 | H4 | 0.3° | 26.8° |
| C01 | C02 | C30 | H36 | 104.2° | 24.8° |
| C01 | C02 | C30 | H37 | 14.4° | 144.8° |
| C06 | C05 | C04 | H5 | 125.5° | 3.9° |
| C06 | C05 | C04 | H6 | 6.1° | 116.0° |
| C05 | C06 | C07 | H9 | 2.6° | 5.8° |
| H3 | C03 | C04 | H5 | 57.9° | 180.0° |
| H3 | C03 | C04 | H6 | 61.5° | 60.0° |
| H4 | C03 | C04 | H5 | 59.7° | 60.0° |
| H4 | C03 | C04 | H6 | 179.1° | 180.0° |
| H5 | C04 | C05 | H7 | 54.5° | 176.1° |
| H6 | C04 | C05 | H7 | 173.9° | 64.0° |
| H7 | C05 | C06 | H8 | 0.2° | 5.8° |
| H8 | C06 | C07 | H9 | 177.4° | 174.2° |
| H9 | C07 | C08 | H10 | 180.0° | 180.0° |
| H10 | C08 | C09 | H11 | 92.4° | 65.0° |
| H10 | C08 | C09 | H12 | 148.5° | 175.0° |
| H11 | C09 | C10 | H13 | 76.4° | 65.0° |
| H12 | C09 | C10 | H13 | 164.5° | 174.9° |
| H13 | C10 | C11 | H14 | 58.5° | 59.9° |
| H13 | C10 | C11 | H15 | 61.5° | 60.1° |
| H13 | C10 | C11 | H16 | 178.5° | 179.9° |
| H13 | C10 | C12 | H17 | 175.5° | 65.0° |
| H13 | C10 | C12 | H18 | 67.0° | 175.0° |
| H14 | C11 | H15 | H16 | 120.0° | 120.1° |
| H19 | C15 | C16 | H21 | 47.2° | 175.0° |
| H20 | C15 | C16 | H21 | 163.3° | 65.0° |
| H21 | C16 | O17 | H22 | 63.1° | 180.0° |
| H21 | C16 | C18 | H23 | 179.7° | 180.0° |
| H21 | C16 | C18 | H24 | 60.3° | 60.0° |
| H23 | C18 | N19 | H25 | 20.2° | 120.0° |
| H24 | C18 | N19 | H25 | 140.2° | 120.0° |
| H26 | C22 | C23 | H27 | 61.0° | 179.9° |
| H26 | C22 | C23 | H28 | 59.0° | 60.1° |
| H26 | C22 | C23 | H29 | 179.0° | 60.0° |
| H26 | C22 | C24 | H30 | 161.5° | 59.9° |
| H27 | C23 | H28 | H29 | 120.0° | 120.0° |
| H30 | C24 | C25 | H31 | 61.8° | 180.0° |
| H30 | C24 | C25 | H32 | 58.2° | 60.0° |
| H30 | C24 | C25 | H33 | 178.1° | 60.0° |
| H31 | C25 | H32 | H33 | 120.0° | 120.1° |
| H36 | C30 | C31 | H38 | 43.3° | 175.5° |
| H37 | C30 | C31 | H38 | 161.9° | 64.5° |
| H38 | C31 | C32 | H39 | 59.9° | 55.9° |
| H38 | C31 | C32 | H40 | 179.9° | 64.1° |
| H38 | C31 | C32 | H41 | 60.1° | 176.0° |
| H38 | C31 | C33 | H42 | 163.0° | 175.0° |
| H38 | C31 | C33 | H43 | 77.7° | 65.0° |
| H39 | C32 | H40 | H41 | 120.0° | 120.0° |
| H44 | C35 | H45 | H46 | 120.0° | 120.1° |
