A1EM3
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 | |
| C14 | C13 | sing | 1.53Å | 1.54Å | |
| C13 | C12 | sing | 1.53Å | 1.55Å | |
| C12 | C11 | sing | 1.53Å | 1.54Å | |
| C37 | C36 | sing | 1.53Å | 1.53Å | |
| C11 | C10 | sing | 1.53Å | 1.54Å | |
| C10 | C09 | sing | 1.53Å | 1.54Å | |
| C36 | C35 | sing | 1.53Å | 1.53Å | |
| C35 | C34 | sing | 1.53Å | 1.54Å | |
| C09 | C08 | sing | 1.53Å | 1.55Å | |
| C34 | C33 | sing | 1.53Å | 1.54Å | |
| C08 | C07 | sing | 1.53Å | 1.56Å | |
| C33 | C32 | sing | 1.53Å | 1.54Å | |
| C07 | C06 | sing | 1.53Å | 1.56Å | |
| C06 | C04 | sing | 1.51Å | 1.55Å | |
| C32 | C31 | sing | 1.53Å | 1.53Å | |
| C31 | C30 | sing | 1.53Å | 1.53Å | |
| C04 | O05 | doub | 1.21Å | 1.16Å | |
| C04 | O03 | sing | 1.34Å | 1.41Å | |
| C30 | C29 | sing | 1.53Å | 1.53Å | |
| O03 | C02 | sing | 1.45Å | 1.43Å | |
| C29 | C27 | sing | 1.51Å | 1.54Å | |
| O26 | C27 | sing | 1.34Å | 1.42Å | |
| O26 | C01 | sing | 1.45Å | 1.39Å | |
| C27 | O28 | doub | 1.21Å | 1.17Å | |
| C02 | C01 | sing | 1.53Å | 1.53Å | |
| C01 | C17 | sing | 1.53Å | 1.55Å | |
| C17 | O18 | sing | 1.43Å | 1.42Å | |
| O18 | P19 | sing | 1.61Å | 1.69Å | |
| N25 | C24 | sing | 1.47Å | 1.45Å | |
| P19 | O20 | doub | 1.48Å | 1.51Å | |
| P19 | O21 | sing | 1.61Å | 1.49Å | |
| P19 | O22 | sing | 1.61Å | 1.65Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| O22 | C23 | sing | 1.43Å | 1.41Å | |
| 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 | |
| C17 | H27 | sing | 1.09Å | 1.10Å | |
| C17 | H28 | sing | 1.09Å | 1.10Å | |
| O21 | H29 | sing | 0.97Å | 0.95Å | |
| C23 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| C24 | H32 | sing | 1.09Å | 1.10Å | |
| C24 | H33 | sing | 1.09Å | 1.10Å | |
| N25 | H34 | sing | 1.01Å | 1.00Å | |
| N25 | H35 | sing | 1.01Å | 1.00Å | |
| C29 | H37 | sing | 1.09Å | 1.10Å | |
| C29 | H38 | sing | 1.09Å | 1.10Å | |
| C30 | H39 | sing | 1.09Å | 1.10Å | |
| C30 | H40 | sing | 1.09Å | 1.10Å | |
| C31 | H41 | sing | 1.09Å | 1.10Å | |
| C31 | H42 | sing | 1.09Å | 1.10Å | |
| C32 | H43 | sing | 1.09Å | 1.10Å | |
| C32 | H44 | sing | 1.09Å | 1.10Å | |
| C33 | H45 | sing | 1.09Å | 1.10Å | |
| C33 | H46 | sing | 1.09Å | 1.10Å | |
| C34 | H47 | sing | 1.09Å | 1.10Å | |
| C34 | H48 | sing | 1.09Å | 1.10Å | |
| C35 | H49 | sing | 1.09Å | 1.10Å | |
| C35 | H50 | sing | 1.09Å | 1.10Å | |
| C36 | H51 | sing | 1.09Å | 1.10Å | |
| C36 | H52 | sing | 1.09Å | 1.10Å | |
| C37 | H53 | sing | 1.09Å | 1.10Å | |
| C37 | H54 | sing | 1.09Å | 1.10Å | |
| C37 | H55 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | C15 | C14 | 112.7° | 109.5° |
| C16 | C15 | H22 | 108.6° | 109.4° |
| C16 | C15 | H23 | 108.7° | 109.5° |
| C15 | C16 | H24 | 109.5° | 109.5° |
| C15 | C16 | H25 | 109.5° | 109.5° |
| C15 | C16 | H26 | 109.5° | 109.5° |
| C15 | C14 | C13 | 112.2° | 109.5° |
| C15 | C14 | H20 | 108.8° | 109.5° |
| C15 | C14 | H21 | 108.8° | 109.5° |
| C14 | C15 | H22 | 108.7° | 109.5° |
| C14 | C15 | H23 | 108.7° | 109.5° |
| C14 | C13 | C12 | 113.7° | 109.5° |
| C14 | C13 | H18 | 108.4° | 109.5° |
| C14 | C13 | H19 | 108.4° | 109.5° |
| C13 | C14 | H20 | 108.8° | 109.5° |
| C13 | C14 | H21 | 108.8° | 109.5° |
| C13 | C12 | C11 | 111.2° | 109.5° |
| C13 | C12 | H16 | 109.0° | 109.5° |
| C13 | C12 | H17 | 109.0° | 109.5° |
| C12 | C13 | H18 | 108.4° | 109.5° |
| C12 | C13 | H19 | 108.4° | 109.5° |
| C12 | C11 | C10 | 114.5° | 109.5° |
| C12 | C11 | H14 | 108.2° | 109.5° |
| C12 | C11 | H15 | 108.2° | 109.5° |
| C11 | C12 | H16 | 109.0° | 109.5° |
| C11 | C12 | H17 | 109.0° | 109.5° |
| C37 | C36 | C35 | 112.5° | 109.5° |
| C37 | C36 | H51 | 108.7° | 109.5° |
| C37 | C36 | H52 | 108.7° | 109.4° |
| C36 | C37 | H53 | 109.5° | 109.5° |
| C36 | C37 | H54 | 109.5° | 109.5° |
| C36 | C37 | H55 | 109.5° | 109.4° |
| C11 | C10 | C09 | 114.0° | 109.5° |
| C11 | C10 | H12 | 108.3° | 109.5° |
| C11 | C10 | H13 | 108.3° | 109.4° |
| C10 | C11 | H14 | 108.2° | 109.5° |
| C10 | C11 | H15 | 108.2° | 109.4° |
| C10 | C09 | C08 | 112.3° | 109.5° |
| C10 | C09 | H10 | 108.8° | 109.5° |
| C10 | C09 | H11 | 108.7° | 109.4° |
| C09 | C10 | H12 | 108.3° | 109.5° |
| C09 | C10 | H13 | 108.3° | 109.4° |
| C36 | C35 | C34 | 111.5° | 109.5° |
| C36 | C35 | H49 | 109.0° | 109.4° |
| C36 | C35 | H50 | 109.0° | 109.5° |
| C35 | C36 | H51 | 108.7° | 109.4° |
| C35 | C36 | H52 | 108.7° | 109.5° |
| C35 | C34 | C33 | 115.2° | 109.5° |
| C35 | C34 | H47 | 108.0° | 109.5° |
| C35 | C34 | H48 | 108.0° | 109.4° |
| C34 | C35 | H49 | 109.0° | 109.5° |
| C34 | C35 | H50 | 108.9° | 109.5° |
| C09 | C08 | C07 | 112.8° | 109.5° |
| C09 | C08 | H8 | 108.6° | 109.5° |
| C09 | C08 | H9 | 108.6° | 109.4° |
| C08 | C09 | H10 | 108.8° | 109.5° |
| C08 | C09 | H11 | 108.8° | 109.4° |
| C34 | C33 | C32 | 113.3° | 109.5° |
| C34 | C33 | H45 | 108.5° | 109.5° |
| C34 | C33 | H46 | 108.5° | 109.5° |
| C33 | C34 | H47 | 108.0° | 109.5° |
| C33 | C34 | H48 | 108.0° | 109.5° |
| C08 | C07 | C06 | 111.0° | 109.5° |
| C08 | C07 | H6 | 109.1° | 109.5° |
| C08 | C07 | H7 | 109.1° | 109.5° |
| C07 | C08 | H8 | 108.6° | 109.5° |
| C07 | C08 | H9 | 108.6° | 109.5° |
| C33 | C32 | C31 | 112.3° | 109.5° |
| C33 | C32 | H43 | 108.7° | 109.5° |
| C33 | C32 | H44 | 108.8° | 109.5° |
| C32 | C33 | H45 | 108.5° | 109.4° |
| C32 | C33 | H46 | 108.5° | 109.5° |
| C07 | C06 | C04 | 114.8° | 109.5° |
| C07 | C06 | H4 | 108.1° | 109.5° |
| C07 | C06 | H5 | 108.2° | 109.5° |
| C06 | C07 | H6 | 109.1° | 109.4° |
| C06 | C07 | H7 | 109.1° | 109.5° |
| C06 | C04 | O05 | 116.2° | 120.0° |
| C06 | C04 | O03 | 124.4° | 120.0° |
| C04 | C06 | H4 | 108.1° | 109.5° |
| C04 | C06 | H5 | 108.1° | 109.5° |
| C32 | C31 | C30 | 111.0° | 109.5° |
| C32 | C31 | H41 | 109.1° | 109.4° |
| C32 | C31 | H42 | 109.1° | 109.5° |
| C31 | C32 | H43 | 108.8° | 109.4° |
| C31 | C32 | H44 | 108.8° | 109.5° |
| C31 | C30 | C29 | 111.0° | 109.5° |
| C31 | C30 | H39 | 109.1° | 109.5° |
| C31 | C30 | H40 | 109.1° | 109.4° |
| C30 | C31 | H41 | 109.1° | 109.5° |
| C30 | C31 | H42 | 109.1° | 109.5° |
| O05 | C04 | O03 | 119.4° | 120.0° |
| C04 | O03 | C02 | 118.2° | 117.0° |
| C30 | C29 | C27 | 112.6° | 109.5° |
| C30 | C29 | H37 | 108.7° | 109.4° |
| C30 | C29 | H38 | 108.7° | 109.5° |
| C29 | C30 | H39 | 109.1° | 109.5° |
| C29 | C30 | H40 | 109.1° | 109.5° |
| O03 | C02 | C01 | 104.0° | 109.5° |
| O03 | C02 | H2 | 110.8° | 109.5° |
| O03 | C02 | H3 | 110.8° | 109.5° |
| C29 | C27 | O26 | 119.1° | 120.0° |
| C29 | C27 | O28 | 118.8° | 120.0° |
| C27 | C29 | H37 | 108.7° | 109.5° |
| C27 | C29 | H38 | 108.7° | 109.5° |
| C27 | O26 | C01 | 122.0° | 117.0° |
| O26 | C27 | O28 | 122.1° | 120.0° |
| O26 | C01 | C02 | 100.7° | 109.5° |
| O26 | C01 | C17 | 113.6° | 109.4° |
| O26 | C01 | H1 | 110.9° | 109.5° |
| C02 | C01 | C17 | 113.8° | 109.5° |
| C02 | C01 | H1 | 108.9° | 109.5° |
| C01 | C02 | H2 | 110.8° | 109.4° |
| C01 | C02 | H3 | 110.8° | 109.5° |
| C01 | C17 | O18 | 112.7° | 109.4° |
| C17 | C01 | H1 | 108.7° | 109.4° |
| C01 | C17 | H27 | 108.6° | 109.5° |
| C01 | C17 | H28 | 108.7° | 109.5° |
| C17 | O18 | P19 | 119.9° | 123.0° |
| O18 | C17 | H27 | 108.7° | 109.5° |
| O18 | C17 | H28 | 108.7° | 109.5° |
| O18 | P19 | O20 | 110.2° | 109.5° |
| O18 | P19 | O21 | 110.0° | 109.5° |
| O18 | P19 | O22 | 112.9° | 109.5° |
| N25 | C24 | C23 | 110.1° | 109.5° |
| N25 | C24 | H32 | 109.3° | 109.4° |
| N25 | C24 | H33 | 109.3° | 109.5° |
| C24 | N25 | H34 | 109.5° | 111.0° |
| C24 | N25 | H35 | 109.5° | 111.0° |
| O20 | P19 | O21 | 104.8° | 109.5° |
| O20 | P19 | O22 | 111.8° | 109.4° |
| O21 | P19 | O22 | 106.8° | 109.5° |
| P19 | O21 | H29 | 109.5° | 114.0° |
| P19 | O22 | C23 | 122.0° | 123.0° |
| C24 | C23 | O22 | 107.7° | 109.4° |
| C24 | C23 | H30 | 109.9° | 109.5° |
| C24 | C23 | H31 | 109.9° | 109.5° |
| C23 | C24 | H32 | 109.3° | 109.5° |
| C23 | C24 | H33 | 109.3° | 109.5° |
| O22 | C23 | H30 | 109.9° | 109.4° |
| O22 | C23 | H31 | 109.9° | 109.5° |
| H2 | C02 | H3 | 109.4° | 109.5° |
| H4 | C06 | H5 | 109.5° | 109.5° |
| H6 | C07 | H7 | 109.5° | 109.5° |
| H8 | C08 | H9 | 109.5° | 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° | 109.4° |
| H18 | C13 | H19 | 109.5° | 109.5° |
| H20 | C14 | H21 | 109.5° | 109.5° |
| H22 | C15 | H23 | 109.4° | 109.5° |
| H24 | C16 | H25 | 109.5° | 109.5° |
| H24 | C16 | H26 | 109.5° | 109.5° |
| H25 | C16 | H26 | 109.4° | 109.5° |
| H27 | C17 | H28 | 109.4° | 109.5° |
| H30 | C23 | H31 | 109.5° | 109.5° |
| H32 | C24 | H33 | 109.5° | 109.5° |
| H34 | N25 | H35 | 109.5° | 111.0° |
| H37 | C29 | H38 | 109.5° | 109.5° |
| H39 | C30 | H40 | 109.5° | 109.5° |
| H41 | C31 | H42 | 109.4° | 109.5° |
| H43 | C32 | H44 | 109.5° | 109.5° |
| H45 | C33 | H46 | 109.5° | 109.5° |
| H47 | C34 | H48 | 109.5° | 109.5° |
| H49 | C35 | H50 | 109.5° | 109.5° |
| H51 | C36 | H52 | 109.4° | 109.5° |
| H53 | C37 | H54 | 109.5° | 109.5° |
| H53 | C37 | H55 | 109.5° | 109.5° |
| H54 | C37 | H55 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | C15 | C14 | H22 | 120.5° | 120.0° |
| C16 | C15 | C14 | H23 | 120.5° | 120.0° |
| C16 | C15 | C14 | C13 | 94.9° | 180.0° |
| C16 | C15 | C14 | H20 | 25.5° | 60.0° |
| C16 | C15 | C14 | H21 | 144.7° | 60.0° |
| C16 | C15 | H22 | H23 | 118.5° | 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° | 120.0° |
| C15 | C14 | C13 | C12 | 157.9° | 180.0° |
| C15 | C14 | C13 | H18 | 81.5° | 60.0° |
| C15 | C14 | C13 | H19 | 37.3° | 60.0° |
| C15 | C14 | H20 | H21 | 118.7° | 120.0° |
| C14 | C15 | H22 | H23 | 118.5° | 120.0° |
| C14 | C15 | C16 | H24 | 180.0° | 180.0° |
| C14 | C15 | C16 | H25 | 60.0° | 60.0° |
| C14 | C15 | C16 | H26 | 60.0° | 60.0° |
| C14 | C13 | C12 | H18 | 120.6° | 120.0° |
| C14 | C13 | C12 | H19 | 120.6° | 120.0° |
| C14 | C13 | C12 | C11 | 167.2° | 180.0° |
| C14 | C13 | C12 | H16 | 46.9° | 60.0° |
| C14 | C13 | C12 | H17 | 72.5° | 60.0° |
| C14 | C13 | H18 | H19 | 118.1° | 120.0° |
| C13 | C14 | H20 | H21 | 118.8° | 120.0° |
| C13 | C14 | C15 | H22 | 144.6° | 60.0° |
| C13 | C14 | C15 | H23 | 25.6° | 60.0° |
| C13 | C12 | C11 | H16 | 120.2° | 120.0° |
| C13 | C12 | C11 | H17 | 120.3° | 120.0° |
| C13 | C12 | C11 | C10 | 82.2° | 180.0° |
| C13 | C12 | C11 | H14 | 157.1° | 60.0° |
| C13 | C12 | C11 | H15 | 38.6° | 60.0° |
| C13 | C12 | H16 | H17 | 119.2° | 120.0° |
| C12 | C13 | H18 | H19 | 118.1° | 120.0° |
| C12 | C13 | C14 | H20 | 37.5° | 60.0° |
| C12 | C13 | C14 | H21 | 81.7° | 60.0° |
| C12 | C11 | C10 | H14 | 120.7° | 120.1° |
| C12 | C11 | C10 | H15 | 120.7° | 120.0° |
| C12 | C11 | C10 | C09 | 125.1° | 180.0° |
| C12 | C11 | C10 | H12 | 114.2° | 59.9° |
| C12 | C11 | C10 | H13 | 4.5° | 60.1° |
| C12 | C11 | H14 | H15 | 117.7° | 120.0° |
| C11 | C12 | H16 | H17 | 119.2° | 120.0° |
| C11 | C12 | C13 | H18 | 72.2° | 60.0° |
| C11 | C12 | C13 | H19 | 46.6° | 60.1° |
| C37 | C36 | C35 | H51 | 120.5° | 120.0° |
| C37 | C36 | C35 | H52 | 120.5° | 120.0° |
| C37 | C36 | C35 | C34 | 132.9° | 180.0° |
| C37 | C36 | C35 | H49 | 106.8° | 60.0° |
| C37 | C36 | C35 | H50 | 12.6° | 60.0° |
| C37 | C36 | H51 | H52 | 118.6° | 120.0° |
| C36 | C37 | H53 | H54 | 120.0° | 120.1° |
| C36 | C37 | H53 | H55 | 120.0° | 119.9° |
| C36 | C37 | H54 | H55 | 120.0° | 119.9° |
| C11 | C10 | C09 | H12 | 120.7° | 120.1° |
| C11 | C10 | C09 | H13 | 120.7° | 119.9° |
| C11 | C10 | C09 | C08 | 74.7° | 180.0° |
| C11 | C10 | C09 | H10 | 45.8° | 59.9° |
| C11 | C10 | C09 | H11 | 164.9° | 60.1° |
| C11 | C10 | H12 | H13 | 117.9° | 120.0° |
| C10 | C11 | H14 | H15 | 117.7° | 120.0° |
| C10 | C11 | C12 | H16 | 38.0° | 59.9° |
| C10 | C11 | C12 | H17 | 157.5° | 60.0° |
| C10 | C09 | C08 | H10 | 120.4° | 120.1° |
| C10 | C09 | C08 | H11 | 120.4° | 119.9° |
| C10 | C09 | C08 | C07 | 173.4° | 180.0° |
| C10 | C09 | C08 | H8 | 66.1° | 59.9° |
| C10 | C09 | C08 | H9 | 52.9° | 60.0° |
| C10 | C09 | H10 | H11 | 118.7° | 120.0° |
| C09 | C10 | H12 | H13 | 117.9° | 120.0° |
| C09 | C10 | C11 | H14 | 4.4° | 59.9° |
| C09 | C10 | C11 | H15 | 114.1° | 60.0° |
| C36 | C35 | C34 | H49 | 120.3° | 120.0° |
| C36 | C35 | C34 | H50 | 120.3° | 120.0° |
| C36 | C35 | C34 | C33 | 171.3° | 180.0° |
| C36 | C35 | C34 | H47 | 50.5° | 60.0° |
| C36 | C35 | C34 | H48 | 67.9° | 60.0° |
| C36 | C35 | H49 | H50 | 119.1° | 120.0° |
| C35 | C36 | H51 | H52 | 118.6° | 120.0° |
| C35 | C36 | C37 | H53 | 180.0° | 180.0° |
| C35 | C36 | C37 | H54 | 60.0° | 60.0° |
| C35 | C36 | C37 | H55 | 60.0° | 60.0° |
| C35 | C34 | C33 | H47 | 120.8° | 120.0° |
| C35 | C34 | C33 | H48 | 120.8° | 120.0° |
| C35 | C34 | C33 | C32 | 61.6° | 180.0° |
| C35 | C34 | C33 | H45 | 58.9° | 60.0° |
| C35 | C34 | C33 | H46 | 177.8° | 60.0° |
| C35 | C34 | H47 | H48 | 117.4° | 120.0° |
| C34 | C35 | H49 | H50 | 119.0° | 120.1° |
| C34 | C35 | C36 | H51 | 12.4° | 60.0° |
| C34 | C35 | C36 | H52 | 106.6° | 60.0° |
| C09 | C08 | C07 | H8 | 120.5° | 120.0° |
| C09 | C08 | C07 | H9 | 120.5° | 120.0° |
| C09 | C08 | C07 | C06 | 163.3° | 180.0° |
| C09 | C08 | C07 | H6 | 76.5° | 60.0° |
| C09 | C08 | C07 | H7 | 43.0° | 60.0° |
| C09 | C08 | H8 | H9 | 118.5° | 119.9° |
| C08 | C09 | H10 | H11 | 118.7° | 120.0° |
| C08 | C09 | C10 | H12 | 164.7° | 59.9° |
| C08 | C09 | C10 | H13 | 46.0° | 60.1° |
| C34 | C33 | C32 | H45 | 120.6° | 120.0° |
| C34 | C33 | C32 | H46 | 120.6° | 120.0° |
| C34 | C33 | C32 | C31 | 134.6° | 180.0° |
| C34 | C33 | C32 | H43 | 14.1° | 60.1° |
| C34 | C33 | C32 | H44 | 105.0° | 60.0° |
| C34 | C33 | H45 | H46 | 118.2° | 120.1° |
| C33 | C34 | H47 | H48 | 117.4° | 120.1° |
| C33 | C34 | C35 | H49 | 68.4° | 60.0° |
| C33 | C34 | C35 | H50 | 51.0° | 60.0° |
| C08 | C07 | C06 | H6 | 120.3° | 120.0° |
| C08 | C07 | C06 | H7 | 120.2° | 120.0° |
| C08 | C07 | C06 | C04 | 160.3° | 180.0° |
| C08 | C07 | C06 | H4 | 78.9° | 60.0° |
| C08 | C07 | C06 | H5 | 39.6° | 60.0° |
| C08 | C07 | H6 | H7 | 119.3° | 120.0° |
| C07 | C08 | H8 | H9 | 118.5° | 120.0° |
| C07 | C08 | C09 | H10 | 53.0° | 60.0° |
| C07 | C08 | C09 | H11 | 66.2° | 60.1° |
| C33 | C32 | C31 | H43 | 120.4° | 120.0° |
| C33 | C32 | C31 | H44 | 120.4° | 120.1° |
| C33 | C32 | C31 | C30 | 85.3° | 179.9° |
| C33 | C32 | C31 | H41 | 154.4° | 60.1° |
| C33 | C32 | C31 | H42 | 34.9° | 60.0° |
| C33 | C32 | H43 | H44 | 118.7° | 120.1° |
| C32 | C33 | H45 | H46 | 118.3° | 120.0° |
| C32 | C33 | C34 | H47 | 177.5° | 60.0° |
| C32 | C33 | C34 | H48 | 59.2° | 60.0° |
| C07 | C06 | C04 | H4 | 120.8° | 120.0° |
| C07 | C06 | C04 | H5 | 120.8° | 120.0° |
| C07 | C06 | C04 | O05 | 142.2° | 0.0° |
| C07 | C06 | C04 | O03 | 38.5° | 180.0° |
| C07 | C06 | H4 | H5 | 117.6° | 120.0° |
| C06 | C07 | H6 | H7 | 119.3° | 120.0° |
| C06 | C07 | C08 | H8 | 42.8° | 60.0° |
| C06 | C07 | C08 | H9 | 76.2° | 60.0° |
| C06 | C04 | O05 | O03 | 179.3° | 179.9° |
| C06 | C04 | O03 | C02 | 146.0° | 180.0° |
| C04 | C06 | H4 | H5 | 117.6° | 120.0° |
| C04 | C06 | C07 | H6 | 40.1° | 60.0° |
| C04 | C06 | C07 | H7 | 79.4° | 60.0° |
| C32 | C31 | C30 | H41 | 120.2° | 120.0° |
| C32 | C31 | C30 | H42 | 120.3° | 120.0° |
| C32 | C31 | C30 | C29 | 166.0° | 180.0° |
| C32 | C31 | C30 | H39 | 45.8° | 60.0° |
| C32 | C31 | C30 | H40 | 73.8° | 60.0° |
| C32 | C31 | H41 | H42 | 119.3° | 120.0° |
| C31 | C32 | H43 | H44 | 118.7° | 120.0° |
| C31 | C32 | C33 | H45 | 104.9° | 60.0° |
| C31 | C32 | C33 | H46 | 14.0° | 60.0° |
| C31 | C30 | C29 | H39 | 120.2° | 120.0° |
| C31 | C30 | C29 | H40 | 120.2° | 120.0° |
| C31 | C30 | C29 | C27 | 166.8° | 180.0° |
| C31 | C30 | C29 | H37 | 46.3° | 60.0° |
| C31 | C30 | C29 | H38 | 72.7° | 60.0° |
| C31 | C30 | H39 | H40 | 119.3° | 119.9° |
| C30 | C31 | H41 | H42 | 119.3° | 120.0° |
| C30 | C31 | C32 | H43 | 35.1° | 60.0° |
| C30 | C31 | C32 | H44 | 154.2° | 60.0° |
| O05 | C04 | O03 | C02 | 34.8° | 0.0° |
| O05 | C04 | C06 | H4 | 97.0° | 120.0° |
| O05 | C04 | C06 | H5 | 21.4° | 120.0° |
| C04 | O03 | C02 | C01 | 138.8° | 180.0° |
| C04 | O03 | C02 | H2 | 102.1° | 60.0° |
| C04 | O03 | C02 | H3 | 19.7° | 60.0° |
| O03 | C04 | C06 | H4 | 82.2° | 60.0° |
| O03 | C04 | C06 | H5 | 159.3° | 60.1° |
| C30 | C29 | C27 | H37 | 120.5° | 120.0° |
| C30 | C29 | C27 | H38 | 120.5° | 120.0° |
| C30 | C29 | C27 | O26 | 124.6° | 180.0° |
| C30 | C29 | C27 | O28 | 56.3° | 0.0° |
| C30 | C29 | H37 | H38 | 118.6° | 120.0° |
| C29 | C30 | H39 | H40 | 119.3° | 120.1° |
| C29 | C30 | C31 | H41 | 73.8° | 60.0° |
| C29 | C30 | C31 | H42 | 45.7° | 60.0° |
| O03 | C02 | C01 | O26 | 21.8° | 65.0° |
| O03 | C02 | C01 | H2 | 119.1° | 120.0° |
| O03 | C02 | C01 | H3 | 119.2° | 120.0° |
| O03 | C02 | C01 | C17 | 143.8° | 55.0° |
| O03 | C02 | C01 | H1 | 94.8° | 175.0° |
| O03 | C02 | H2 | H3 | 122.5° | 120.0° |
| C29 | C27 | O26 | O28 | 179.0° | 180.0° |
| C29 | C27 | O26 | C01 | 173.7° | 180.0° |
| C27 | C29 | H37 | H38 | 118.6° | 120.1° |
| C27 | C29 | C30 | H39 | 73.0° | 60.0° |
| C27 | C29 | C30 | H40 | 46.5° | 60.0° |
| C27 | O26 | C01 | C02 | 176.8° | 150.0° |
| C27 | O26 | C01 | C17 | 61.1° | 90.0° |
| C27 | O26 | C01 | H1 | 61.6° | 29.9° |
| O26 | C27 | C29 | H37 | 114.9° | 60.0° |
| O26 | C27 | C29 | H38 | 4.1° | 60.0° |
| C01 | O26 | C27 | O28 | 7.3° | 0.0° |
| O26 | C01 | C02 | C17 | 122.0° | 120.0° |
| O26 | C01 | C02 | H1 | 116.6° | 120.0° |
| O26 | C01 | C17 | H1 | 123.9° | 119.9° |
| O26 | C01 | C17 | O18 | 160.7° | 65.0° |
| O26 | C01 | C02 | H2 | 97.3° | 55.0° |
| O26 | C01 | C02 | H3 | 141.0° | 175.0° |
| O26 | C01 | C17 | H27 | 78.8° | 175.0° |
| O26 | C01 | C17 | H28 | 40.2° | 55.0° |
| O28 | C27 | C29 | H37 | 64.1° | 120.0° |
| O28 | C27 | C29 | H38 | 176.8° | 120.0° |
| C02 | C01 | C17 | H1 | 121.6° | 120.0° |
| C02 | C01 | C17 | O18 | 46.1° | 55.0° |
| C01 | C02 | H2 | H3 | 122.5° | 120.0° |
| C02 | C01 | C17 | H27 | 166.6° | 65.0° |
| C02 | C01 | C17 | H28 | 74.3° | 175.0° |
| C01 | C17 | O18 | H27 | 120.5° | 120.0° |
| C01 | C17 | O18 | H28 | 120.5° | 120.0° |
| C01 | C17 | O18 | P19 | 171.5° | 180.0° |
| C17 | C01 | C02 | H2 | 24.7° | 175.0° |
| C17 | C01 | C02 | H3 | 97.1° | 64.9° |
| C01 | C17 | H27 | H28 | 118.5° | 120.1° |
| C17 | O18 | P19 | O20 | 110.9° | 55.0° |
| C17 | O18 | P19 | O21 | 134.1° | 65.0° |
| C17 | O18 | P19 | O22 | 15.0° | 175.0° |
| O18 | C17 | C01 | H1 | 75.4° | 175.1° |
| O18 | C17 | H27 | H28 | 118.5° | 120.0° |
| O18 | P19 | O20 | O21 | 118.3° | 120.0° |
| O18 | P19 | O20 | O22 | 126.5° | 120.0° |
| O18 | P19 | O21 | O22 | 122.9° | 120.0° |
| O18 | P19 | O22 | C23 | 88.6° | 174.9° |
| P19 | O18 | C17 | H27 | 51.0° | 60.0° |
| P19 | O18 | C17 | H28 | 68.0° | 60.0° |
| O18 | P19 | O21 | H29 | 118.5° | 60.0° |
| N25 | C24 | C23 | H32 | 120.1° | 119.9° |
| N25 | C24 | C23 | H33 | 120.1° | 120.0° |
| N25 | C24 | C23 | O22 | 113.4° | 65.0° |
| N25 | C24 | C23 | H30 | 6.3° | 54.9° |
| N25 | C24 | C23 | H31 | 126.9° | 175.0° |
| N25 | C24 | H32 | H33 | 119.7° | 120.0° |
| C24 | N25 | H34 | H35 | 120.0° | 123.9° |
| O20 | P19 | O21 | O22 | 118.7° | 120.0° |
| O20 | P19 | O22 | C23 | 36.4° | 55.0° |
| O20 | P19 | O21 | H29 | 0.0° | 180.0° |
| O21 | P19 | O22 | C23 | 150.5° | 65.0° |
| P19 | O22 | C23 | C24 | 139.1° | 180.0° |
| O22 | P19 | O21 | H29 | 118.7° | 60.0° |
| P19 | O22 | C23 | H30 | 19.4° | 60.1° |
| P19 | O22 | C23 | H31 | 101.1° | 60.0° |
| C24 | C23 | O22 | H30 | 119.7° | 120.0° |
| C24 | C23 | O22 | H31 | 119.8° | 120.0° |
| C24 | C23 | H30 | H31 | 120.8° | 120.0° |
| C23 | C24 | H32 | H33 | 119.7° | 120.0° |
| C23 | C24 | N25 | H34 | 180.0° | 56.0° |
| C23 | C24 | N25 | H35 | 60.0° | 179.9° |
| O22 | C23 | H30 | H31 | 120.8° | 120.0° |
| O22 | C23 | C24 | H32 | 126.5° | 175.1° |
| O22 | C23 | C24 | H33 | 6.7° | 55.0° |
| H1 | C01 | C02 | H2 | 146.1° | 65.0° |
| H1 | C01 | C02 | H3 | 24.4° | 55.0° |
| H1 | C01 | C17 | H27 | 45.1° | 55.1° |
| H1 | C01 | C17 | H28 | 164.1° | 65.0° |
| H4 | C06 | C07 | H6 | 160.8° | 180.0° |
| H4 | C06 | C07 | H7 | 41.3° | 60.0° |
| H5 | C06 | C07 | H6 | 80.7° | 60.0° |
| H5 | C06 | C07 | H7 | 159.8° | 180.0° |
| H6 | C07 | C08 | H8 | 163.0° | 180.0° |
| H6 | C07 | C08 | H9 | 44.0° | 60.0° |
| H7 | C07 | C08 | H8 | 77.5° | 60.0° |
| H7 | C07 | C08 | H9 | 163.5° | NaN° |
| H8 | C08 | C09 | H10 | 173.5° | 180.0° |
| H8 | C08 | C09 | H11 | 54.3° | 60.0° |
| H9 | C08 | C09 | H10 | 67.5° | 60.0° |
| H9 | C08 | C09 | H11 | 173.3° | 179.9° |
| H10 | C09 | C10 | H12 | 74.9° | 180.0° |
| H10 | C09 | C10 | H13 | 166.4° | 60.0° |
| H11 | C09 | C10 | H12 | 44.3° | 60.0° |
| H11 | C09 | C10 | H13 | 74.4° | 180.0° |
| H12 | C10 | C11 | H14 | 125.1° | 180.0° |
| H12 | C10 | C11 | H15 | 6.6° | 60.0° |
| H13 | C10 | C11 | H14 | 116.2° | 60.0° |
| H13 | C10 | C11 | H15 | 125.2° | 180.0° |
| H14 | C11 | C12 | H16 | 82.7° | 180.0° |
| H14 | C11 | C12 | H17 | 36.8° | 60.0° |
| H15 | C11 | C12 | H16 | 158.8° | 60.0° |
| H15 | C11 | C12 | H17 | 81.7° | 180.0° |
| H16 | C12 | C13 | H18 | 167.5° | 180.0° |
| H16 | C12 | C13 | H19 | 73.7° | 60.0° |
| H17 | C12 | C13 | H18 | 48.1° | 60.0° |
| H17 | C12 | C13 | H19 | 166.9° | 180.0° |
| H18 | C13 | C14 | H20 | 158.1° | 180.0° |
| H18 | C13 | C14 | H21 | 38.9° | 60.0° |
| H19 | C13 | C14 | H20 | 83.1° | 60.0° |
| H19 | C13 | C14 | H21 | 157.7° | 180.0° |
| H20 | C14 | C15 | H22 | 94.9° | 180.0° |
| H20 | C14 | C15 | H23 | 146.1° | 60.0° |
| H21 | C14 | C15 | H22 | 24.2° | 60.0° |
| H21 | C14 | C15 | H23 | 94.8° | 180.0° |
| H22 | C15 | C16 | H24 | 59.5° | 60.0° |
| H22 | C15 | C16 | H25 | 60.5° | 180.0° |
| H22 | C15 | C16 | H26 | 179.5° | 60.0° |
| H23 | C15 | C16 | H24 | 59.5° | 60.0° |
| H23 | C15 | C16 | H25 | 179.5° | 60.0° |
| H23 | C15 | C16 | H26 | 60.5° | 180.0° |
| H24 | C16 | H25 | H26 | 120.0° | 120.0° |
| H30 | C23 | C24 | H32 | 113.8° | 65.0° |
| H30 | C23 | C24 | H33 | 126.4° | 175.0° |
| H31 | C23 | C24 | H32 | 6.7° | 55.1° |
| H31 | C23 | C24 | H33 | 113.1° | 65.0° |
| H32 | C24 | N25 | H34 | 59.9° | 64.0° |
| H32 | C24 | N25 | H35 | 60.1° | 60.0° |
| H33 | C24 | N25 | H34 | 59.9° | 176.0° |
| H33 | C24 | N25 | H35 | 179.9° | 60.0° |
| H37 | C29 | C30 | H39 | 166.5° | 180.0° |
| H37 | C29 | C30 | H40 | 73.9° | 60.0° |
| H38 | C29 | C30 | H39 | 47.5° | 60.0° |
| H38 | C29 | C30 | H40 | 167.0° | 179.9° |
| H39 | C30 | C31 | H41 | 166.0° | 180.0° |
| H39 | C30 | C31 | H42 | 74.5° | 60.0° |
| H40 | C30 | C31 | H41 | 46.4° | 60.0° |
| H40 | C30 | C31 | H42 | 166.0° | 180.0° |
| H41 | C31 | C32 | H43 | 85.2° | 180.0° |
| H41 | C31 | C32 | H44 | 34.0° | 60.0° |
| H42 | C31 | C32 | H43 | 155.3° | 60.0° |
| H42 | C31 | C32 | H44 | 85.5° | 180.0° |
| H43 | C32 | C33 | H45 | 134.7° | 180.0° |
| H43 | C32 | C33 | H46 | 106.4° | 60.0° |
| H44 | C32 | C33 | H45 | 15.6° | 60.0° |
| H44 | C32 | C33 | H46 | 134.4° | 180.0° |
| H45 | C33 | C34 | H47 | 61.9° | 180.0° |
| H45 | C33 | C34 | H48 | 179.7° | 60.0° |
| H46 | C33 | C34 | H47 | 56.9° | 60.0° |
| H46 | C33 | C34 | H48 | 61.4° | 180.0° |
| H47 | C34 | C35 | H49 | 170.8° | 180.0° |
| H47 | C34 | C35 | H50 | 69.8° | 60.0° |
| H48 | C34 | C35 | H49 | 52.5° | 60.0° |
| H48 | C34 | C35 | H50 | 171.8° | 180.0° |
| H49 | C35 | C36 | H51 | 132.7° | 180.0° |
| H49 | C35 | C36 | H52 | 13.7° | 60.0° |
| H50 | C35 | C36 | H51 | 107.9° | 60.0° |
| H50 | C35 | C36 | H52 | 133.1° | 179.9° |
| H51 | C36 | C37 | H53 | 59.5° | 60.0° |
| H51 | C36 | C37 | H54 | 60.5° | 179.9° |
| H51 | C36 | C37 | H55 | 179.5° | 60.0° |
| H52 | C36 | C37 | H53 | 59.5° | 60.1° |
| H52 | C36 | C37 | H54 | 179.6° | 60.0° |
| H52 | C36 | C37 | H55 | 60.5° | 180.0° |
| H53 | C37 | H54 | H55 | 120.0° | 120.0° |
