57M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O56 | C55 | doub | 1.21Å | 1.27Å | |
| O57 | C55 | sing | 1.34Å | 1.28Å | |
| C55 | C51 | sing | 1.51Å | 1.51Å | |
| C54 | C52 | sing | 1.53Å | 1.53Å | |
| C51 | C52 | sing | 1.53Å | 1.53Å | |
| C51 | N50 | sing | 1.47Å | 1.42Å | |
| C52 | C53 | sing | 1.53Å | 1.54Å | |
| N50 | C48 | sing | 1.35Å | 1.45Å | |
| C48 | N47 | sing | 1.35Å | 1.45Å | |
| C48 | O49 | doub | 1.22Å | 1.22Å | |
| N47 | C46 | sing | 1.46Å | 1.38Å | |
| C64 | C63 | sing | 1.53Å | 1.31Å | |
| C64 | N61 | sing | 1.46Å | 1.54Å | |
| C63 | C58 | sing | 1.54Å | 1.52Å | |
| C03 | C02 | sing | 1.53Å | 1.54Å | |
| C46 | C58 | sing | 1.53Å | 1.61Å | |
| C46 | C44 | sing | 1.51Å | 1.49Å | |
| C58 | N59 | sing | 1.47Å | 1.36Å | |
| N61 | C60 | doub | 1.29Å | 1.54Å | |
| C44 | O45 | doub | 1.21Å | 1.22Å | |
| C44 | N43 | sing | 1.35Å | 1.46Å | |
| C01 | C02 | sing | 1.53Å | 1.53Å | |
| C02 | C04 | sing | 1.53Å | 1.56Å | |
| N43 | C05 | sing | 1.46Å | 1.43Å | |
| N59 | C60 | sing | 1.37Å | 1.54Å | |
| C60 | N62 | sing | 1.38Å | 1.31Å | |
| C05 | C04 | sing | 1.53Å | 1.52Å | |
| C05 | C06 | sing | 1.51Å | 1.53Å | |
| C06 | O07 | doub | 1.21Å | 1.22Å | |
| C06 | N08 | sing | 1.35Å | 1.45Å | |
| O42 | C40 | doub | 1.21Å | 1.27Å | |
| N08 | C09 | sing | 1.46Å | 1.48Å | |
| O33 | C29 | doub | 1.22Å | 1.23Å | |
| C40 | O41 | sing | 1.34Å | 1.27Å | |
| C40 | C13 | sing | 1.51Å | 1.52Å | |
| C11 | C10 | sing | 1.53Å | 1.57Å | |
| C11 | N12 | sing | 1.47Å | 1.46Å | |
| C09 | C10 | sing | 1.53Å | 1.57Å | |
| C29 | N30 | sing | 1.35Å | 1.38Å | |
| C29 | N28 | sing | 1.35Å | 1.38Å | |
| O26 | C27 | sing | 1.44Å | 1.50Å | |
| O26 | C25 | sing | 1.44Å | 1.50Å | |
| N30 | C31 | sing | 1.35Å | 1.36Å | |
| C27 | N28 | sing | 1.46Å | 1.43Å | |
| C27 | C37 | sing | 1.55Å | 1.47Å | |
| C13 | N12 | sing | 1.47Å | 1.44Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| N28 | C34 | sing | 1.37Å | 1.37Å | |
| C31 | O32 | doub | 1.22Å | 1.22Å | |
| C31 | C35 | sing | 1.42Å | 1.38Å | |
| O38 | C37 | sing | 1.43Å | 1.45Å | |
| C25 | C14 | sing | 1.53Å | 1.51Å | |
| C25 | C36 | sing | 1.54Å | 1.48Å | |
| C34 | C35 | doub | 1.35Å | 1.38Å | |
| C37 | C36 | sing | 1.55Å | 1.46Å | |
| C14 | O15 | sing | 1.43Å | 1.44Å | |
| C36 | O39 | sing | 1.43Å | 1.46Å | |
| O15 | C16 | sing | 1.43Å | 1.40Å | |
| C19 | N20 | sing | 1.47Å | 1.44Å | |
| C19 | C18 | sing | 1.53Å | 1.49Å | |
| C16 | O17 | sing | 1.44Å | 1.49Å | |
| C16 | C21 | sing | 1.55Å | 1.47Å | |
| C22 | C21 | sing | 1.55Å | 1.46Å | |
| C22 | C18 | sing | 1.54Å | 1.47Å | |
| C22 | O23 | sing | 1.43Å | 1.44Å | |
| O17 | C18 | sing | 1.44Å | 1.50Å | |
| C21 | O24 | sing | 1.43Å | 1.45Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| N12 | H3 | sing | 1.01Å | 1.00Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H6 | sing | 1.09Å | 1.10Å | |
| C22 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C01 | H10 | sing | 1.09Å | 1.10Å | |
| C02 | H11 | sing | 1.09Å | 1.10Å | |
| C03 | H12 | sing | 1.09Å | 1.10Å | |
| C03 | H13 | sing | 1.09Å | 1.10Å | |
| C03 | H14 | sing | 1.09Å | 1.10Å | |
| C04 | H15 | sing | 1.09Å | 1.10Å | |
| C04 | H16 | sing | 1.09Å | 1.10Å | |
| C05 | H17 | sing | 1.09Å | 1.10Å | |
| N08 | H18 | sing | 0.97Å | 1.00Å | |
| C09 | H19 | sing | 1.09Å | 1.10Å | |
| C09 | H20 | sing | 1.09Å | 1.10Å | |
| C11 | H21 | sing | 1.09Å | 1.10Å | |
| C11 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| N20 | H28 | sing | 1.01Å | 1.00Å | |
| N20 | H29 | sing | 1.01Å | 1.00Å | |
| O23 | H31 | sing | 0.97Å | 0.95Å | |
| O24 | H32 | sing | 0.97Å | 0.95Å | |
| C25 | H33 | sing | 1.09Å | 1.10Å | |
| C27 | H34 | sing | 1.09Å | 1.10Å | |
| N30 | H35 | sing | 0.97Å | 1.00Å | |
| C34 | H36 | sing | 1.08Å | 1.08Å | |
| C35 | H37 | sing | 1.08Å | 1.08Å | |
| C36 | H38 | sing | 1.09Å | 1.10Å | |
| C37 | H39 | sing | 1.09Å | 1.10Å | |
| O38 | H40 | sing | 0.97Å | 0.95Å | |
| O39 | H41 | sing | 0.97Å | 0.95Å | |
| O41 | H42 | sing | 0.97Å | 0.95Å | |
| N43 | H43 | sing | 0.97Å | 1.00Å | |
| C46 | H44 | sing | 1.09Å | 1.10Å | |
| N47 | H45 | sing | 0.97Å | 1.00Å | |
| N50 | H46 | sing | 0.97Å | 1.00Å | |
| C51 | H47 | sing | 1.09Å | 1.10Å | |
| C52 | H48 | sing | 1.09Å | 1.10Å | |
| C53 | H49 | sing | 1.09Å | 1.10Å | |
| C53 | H50 | sing | 1.09Å | 1.10Å | |
| C53 | H51 | sing | 1.09Å | 1.10Å | |
| C54 | H52 | sing | 1.09Å | 1.10Å | |
| C54 | H53 | sing | 1.09Å | 1.10Å | |
| C54 | H54 | sing | 1.09Å | 1.10Å | |
| O57 | H55 | sing | 0.97Å | 0.95Å | |
| C58 | H56 | sing | 1.09Å | 1.10Å | |
| N59 | H57 | sing | 0.97Å | 1.00Å | |
| N62 | H58 | sing | 0.97Å | 1.00Å | |
| N62 | H59 | sing | 0.97Å | 1.00Å | |
| C63 | H60 | sing | 1.09Å | 1.10Å | |
| C63 | H61 | sing | 1.09Å | 1.10Å | |
| C64 | H62 | sing | 1.09Å | 1.10Å | |
| C64 | H63 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O56 | C55 | O57 | 120.3° | 119.9° |
| O56 | C55 | C51 | 119.3° | 120.0° |
| O57 | C55 | C51 | 120.4° | 120.0° |
| C55 | O57 | H55 | 109.5° | 117.0° |
| C55 | C51 | C52 | 113.4° | 109.5° |
| C55 | C51 | N50 | 109.1° | 109.5° |
| C55 | C51 | H47 | 108.1° | 109.5° |
| C54 | C52 | C51 | 114.3° | 109.5° |
| C54 | C52 | C53 | 111.8° | 109.5° |
| C54 | C52 | H48 | 105.3° | 109.5° |
| C52 | C54 | H52 | 109.5° | 109.5° |
| C52 | C54 | H53 | 109.5° | 109.5° |
| C52 | C54 | H54 | 109.4° | 109.4° |
| C52 | C51 | N50 | 109.1° | 109.4° |
| C51 | C52 | C53 | 113.7° | 109.5° |
| C52 | C51 | H47 | 107.9° | 109.5° |
| C51 | C52 | H48 | 105.4° | 109.4° |
| C51 | N50 | C48 | 117.0° | 120.0° |
| C51 | N50 | H46 | 121.5° | 120.0° |
| N50 | C51 | H47 | 109.3° | 109.4° |
| C53 | C52 | H48 | 105.3° | 109.5° |
| C52 | C53 | H49 | 109.5° | 109.5° |
| C52 | C53 | H50 | 109.4° | 109.5° |
| C52 | C53 | H51 | 109.4° | 109.5° |
| N50 | C48 | N47 | 120.9° | 120.0° |
| N50 | C48 | O49 | 120.1° | 120.0° |
| C48 | N50 | H46 | 121.5° | 120.0° |
| N47 | C48 | O49 | 118.9° | 120.0° |
| C48 | N47 | C46 | 119.3° | 119.9° |
| C48 | N47 | H45 | 120.4° | 120.0° |
| N47 | C46 | C58 | 107.4° | 109.5° |
| N47 | C46 | C44 | 107.9° | 109.5° |
| N47 | C46 | H44 | 112.4° | 109.5° |
| C46 | N47 | H45 | 120.3° | 120.1° |
| C63 | C64 | N61 | 113.8° | 110.6° |
| C64 | C63 | C58 | 108.8° | 108.5° |
| C64 | C63 | H60 | 109.6° | 109.6° |
| C64 | C63 | H61 | 109.7° | 109.8° |
| C63 | C64 | H62 | 108.4° | 109.3° |
| C63 | C64 | H63 | 108.4° | 109.3° |
| C64 | N61 | C60 | 115.8° | 123.7° |
| N61 | C64 | H62 | 108.4° | 109.3° |
| N61 | C64 | H63 | 108.4° | 109.2° |
| C63 | C58 | C46 | 109.0° | 109.9° |
| C63 | C58 | N59 | 119.3° | 107.4° |
| C63 | C58 | H56 | 105.7° | 109.9° |
| C58 | C63 | H60 | 109.7° | 109.6° |
| C58 | C63 | H61 | 109.7° | 109.7° |
| C03 | C02 | C01 | 111.7° | 109.5° |
| C03 | C02 | C04 | 115.9° | 109.5° |
| C03 | C02 | H11 | 104.5° | 109.5° |
| C02 | C03 | H12 | 109.5° | 109.5° |
| C02 | C03 | H13 | 109.5° | 109.5° |
| C02 | C03 | H14 | 109.5° | 109.5° |
| C58 | C46 | C44 | 109.1° | 109.4° |
| C46 | C58 | N59 | 109.6° | 109.9° |
| C58 | C46 | H44 | 109.2° | 109.4° |
| C46 | C58 | H56 | 104.8° | 109.9° |
| C46 | C44 | O45 | 120.3° | 120.0° |
| C46 | C44 | N43 | 120.4° | 120.1° |
| C44 | C46 | H44 | 110.7° | 109.5° |
| C58 | N59 | C60 | 114.7° | 118.7° |
| N59 | C58 | H56 | 107.5° | 109.9° |
| C58 | N59 | H57 | 122.7° | 120.6° |
| N61 | C60 | N59 | 116.6° | 122.3° |
| N61 | C60 | N62 | 121.5° | 118.8° |
| O45 | C44 | N43 | 119.2° | 120.0° |
| C44 | N43 | C05 | 118.3° | 120.0° |
| C44 | N43 | H43 | 120.8° | 120.0° |
| C01 | C02 | C04 | 114.4° | 109.5° |
| C02 | C01 | H8 | 109.5° | 109.5° |
| C02 | C01 | H9 | 109.5° | 109.5° |
| C02 | C01 | H10 | 109.5° | 109.5° |
| C01 | C02 | H11 | 104.6° | 109.5° |
| C02 | C04 | C05 | 117.1° | 109.5° |
| C04 | C02 | H11 | 104.3° | 109.5° |
| C02 | C04 | H15 | 107.5° | 109.5° |
| C02 | C04 | H16 | 107.5° | 109.5° |
| N43 | C05 | C04 | 108.0° | 109.5° |
| N43 | C05 | C06 | 107.5° | 109.5° |
| N43 | C05 | H17 | 109.5° | 109.5° |
| C05 | N43 | H43 | 120.9° | 120.0° |
| N59 | C60 | N62 | 121.9° | 118.9° |
| C60 | N59 | H57 | 122.7° | 120.6° |
| C60 | N62 | H58 | 120.0° | 120.0° |
| C60 | N62 | H59 | 120.0° | 120.0° |
| C04 | C05 | C06 | 115.2° | 109.5° |
| C05 | C04 | H15 | 107.5° | 109.4° |
| C05 | C04 | H16 | 107.6° | 109.4° |
| C04 | C05 | H17 | 108.4° | 109.4° |
| C05 | C06 | O07 | 118.5° | 120.0° |
| C05 | C06 | N08 | 123.9° | 120.0° |
| C06 | C05 | H17 | 108.2° | 109.5° |
| O07 | C06 | N08 | 117.6° | 120.0° |
| C06 | N08 | C09 | 116.5° | 120.0° |
| C06 | N08 | H18 | 121.8° | 119.9° |
| O42 | C40 | O41 | 118.3° | 120.1° |
| O42 | C40 | C13 | 119.7° | 120.0° |
| N08 | C09 | C10 | 118.9° | 109.5° |
| C09 | N08 | H18 | 121.8° | 120.0° |
| N08 | C09 | H19 | 107.1° | 109.4° |
| N08 | C09 | H20 | 107.1° | 109.4° |
| O33 | C29 | N30 | 118.8° | 119.5° |
| O33 | C29 | N28 | 121.3° | 119.5° |
| O41 | C40 | C13 | 122.1° | 120.0° |
| C40 | O41 | H42 | 109.5° | 117.0° |
| C40 | C13 | N12 | 111.4° | 109.5° |
| C40 | C13 | C14 | 113.0° | 109.5° |
| C40 | C13 | H5 | 107.3° | 109.5° |
| C10 | C11 | N12 | 119.1° | 109.5° |
| C11 | C10 | C09 | 120.7° | 109.4° |
| C11 | C10 | H1 | 106.6° | 109.4° |
| C11 | C10 | H2 | 106.6° | 109.5° |
| C10 | C11 | H21 | 107.0° | 109.5° |
| C10 | C11 | H22 | 107.0° | 109.5° |
| C11 | N12 | C13 | 112.8° | 111.0° |
| C11 | N12 | H3 | 108.6° | 111.0° |
| N12 | C11 | H21 | 107.0° | 109.5° |
| N12 | C11 | H22 | 107.0° | 109.4° |
| C09 | C10 | H1 | 106.6° | 109.5° |
| C09 | C10 | H2 | 106.6° | 109.5° |
| C10 | C09 | H19 | 107.1° | 109.5° |
| C10 | C09 | H20 | 107.1° | 109.5° |
| N30 | C29 | N28 | 119.9° | 121.0° |
| C29 | N30 | C31 | 121.4° | 120.3° |
| C29 | N30 | H35 | 119.3° | 119.8° |
| C29 | N28 | C27 | 121.3° | 119.7° |
| C29 | N28 | C34 | 117.8° | 120.6° |
| C27 | O26 | C25 | 106.9° | 105.3° |
| O26 | C27 | N28 | 113.7° | 110.4° |
| O26 | C27 | C37 | 103.3° | 104.8° |
| O26 | C27 | H34 | 108.4° | 110.3° |
| O26 | C25 | C14 | 113.8° | 110.4° |
| O26 | C25 | C36 | 104.6° | 104.8° |
| O26 | C25 | H33 | 108.7° | 110.5° |
| N30 | C31 | O32 | 120.7° | 120.3° |
| N30 | C31 | C35 | 119.4° | 119.4° |
| C31 | N30 | H35 | 119.3° | 119.9° |
| N28 | C27 | C37 | 112.9° | 110.4° |
| C27 | N28 | C34 | 120.8° | 119.7° |
| N28 | C27 | H34 | 109.4° | 110.3° |
| C27 | C37 | O38 | 107.6° | 110.5° |
| C27 | C37 | C36 | 104.7° | 104.0° |
| C37 | C27 | H34 | 108.8° | 110.5° |
| C27 | C37 | H39 | 111.8° | 110.5° |
| N12 | C13 | C14 | 109.7° | 109.4° |
| C13 | N12 | H3 | 108.6° | 111.0° |
| N12 | C13 | H5 | 108.2° | 109.5° |
| C13 | C14 | C25 | 112.5° | 109.5° |
| C13 | C14 | O15 | 109.4° | 109.4° |
| C14 | C13 | H5 | 107.0° | 109.4° |
| C13 | C14 | H23 | 107.4° | 109.5° |
| N28 | C34 | C35 | 122.3° | 119.7° |
| N28 | C34 | H36 | 118.9° | 120.1° |
| O32 | C31 | C35 | 120.0° | 120.3° |
| C31 | C35 | C34 | 119.2° | 119.1° |
| C31 | C35 | H37 | 120.4° | 120.4° |
| O38 | C37 | C36 | 108.4° | 110.5° |
| O38 | C37 | H39 | 112.1° | 110.6° |
| C37 | O38 | H40 | 109.5° | 114.0° |
| C14 | C25 | C36 | 111.9° | 110.4° |
| C25 | C14 | O15 | 110.7° | 109.5° |
| C25 | C14 | H23 | 107.9° | 109.5° |
| C14 | C25 | H33 | 108.6° | 110.4° |
| C25 | C36 | C37 | 103.2° | 104.1° |
| C25 | C36 | O39 | 112.9° | 110.5° |
| C36 | C25 | H33 | 109.0° | 110.3° |
| C25 | C36 | H38 | 109.5° | 110.5° |
| C35 | C34 | H36 | 118.9° | 120.2° |
| C34 | C35 | H37 | 120.4° | 120.5° |
| C37 | C36 | O39 | 111.7° | 110.5° |
| C37 | C36 | H38 | 109.6° | 110.6° |
| C36 | C37 | H39 | 111.9° | 110.5° |
| C14 | O15 | C16 | 124.5° | 114.0° |
| O15 | C14 | H23 | 108.8° | 109.5° |
| O39 | C36 | H38 | 109.7° | 110.5° |
| C36 | O39 | H41 | 109.5° | 114.0° |
| O15 | C16 | O17 | 109.5° | 110.6° |
| O15 | C16 | C21 | 109.5° | 110.6° |
| O15 | C16 | H24 | 111.9° | 110.6° |
| N20 | C19 | C18 | 117.4° | 109.5° |
| N20 | C19 | H26 | 107.5° | 109.5° |
| N20 | C19 | H27 | 107.5° | 109.4° |
| C19 | N20 | H28 | 109.5° | 110.9° |
| C19 | N20 | H29 | 109.5° | 111.0° |
| C19 | C18 | C22 | 110.4° | 109.9° |
| C19 | C18 | O17 | 109.0° | 109.9° |
| C19 | C18 | H25 | 110.2° | 110.0° |
| C18 | C19 | H26 | 107.5° | 109.5° |
| C18 | C19 | H27 | 107.4° | 109.5° |
| O17 | C16 | C21 | 104.2° | 103.5° |
| C16 | O17 | C18 | 105.5° | 107.0° |
| O17 | C16 | H24 | 110.6° | 110.6° |
| C16 | C21 | C22 | 104.7° | 102.2° |
| C16 | C21 | O24 | 110.5° | 110.9° |
| C16 | C21 | H6 | 110.8° | 110.9° |
| C21 | C16 | H24 | 110.8° | 110.7° |
| C21 | C22 | C18 | 105.0° | 104.2° |
| C21 | C22 | O23 | 109.2° | 110.5° |
| C22 | C21 | O24 | 108.6° | 110.9° |
| C22 | C21 | H6 | 111.0° | 110.9° |
| C21 | C22 | H7 | 110.7° | 110.5° |
| C18 | C22 | O23 | 110.3° | 110.5° |
| C22 | C18 | O17 | 106.7° | 107.3° |
| C18 | C22 | H7 | 110.5° | 110.5° |
| C22 | C18 | H25 | 110.4° | 109.9° |
| O23 | C22 | H7 | 110.9° | 110.5° |
| C22 | O23 | H31 | 109.5° | 113.9° |
| O17 | C18 | H25 | 110.0° | 109.8° |
| O24 | C21 | H6 | 111.1° | 110.8° |
| C21 | O24 | H32 | 109.5° | 114.0° |
| H1 | C10 | H2 | 109.5° | 109.4° |
| H8 | C01 | H9 | 109.5° | 109.5° |
| H8 | C01 | H10 | 109.5° | 109.5° |
| H9 | C01 | H10 | 109.4° | 109.5° |
| H12 | C03 | H13 | 109.4° | 109.4° |
| H12 | C03 | H14 | 109.4° | 109.4° |
| H13 | C03 | H14 | 109.5° | 109.5° |
| H15 | C04 | H16 | 109.5° | 109.5° |
| H19 | C09 | H20 | 109.5° | 109.5° |
| H21 | C11 | H22 | 109.5° | 109.5° |
| H26 | C19 | H27 | 109.5° | 109.5° |
| H28 | N20 | H29 | 109.4° | 111.0° |
| H49 | C53 | H50 | 109.5° | 109.5° |
| H49 | C53 | H51 | 109.5° | 109.5° |
| H50 | C53 | H51 | 109.5° | 109.5° |
| H52 | C54 | H53 | 109.5° | 109.5° |
| H52 | C54 | H54 | 109.5° | 109.5° |
| H53 | C54 | H54 | 109.5° | 109.5° |
| H58 | N62 | H59 | 120.0° | 120.0° |
| H60 | C63 | H61 | 109.4° | 109.6° |
| H62 | C64 | H63 | 109.5° | 109.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O56 | C55 | O57 | C51 | 178.9° | 179.9° |
| O56 | C55 | C51 | C52 | 80.0° | 120.0° |
| O56 | C55 | C51 | N50 | 41.8° | 0.1° |
| O56 | C55 | C51 | H47 | 160.5° | 119.9° |
| O56 | C55 | O57 | H55 | 0.0° | 0.1° |
| O57 | C55 | C51 | C52 | 101.1° | 60.1° |
| O57 | C55 | C51 | N50 | 137.1° | 180.0° |
| O57 | C55 | C51 | H47 | 18.4° | 60.0° |
| C55 | C51 | C52 | C54 | 81.4° | 59.9° |
| C55 | C51 | C52 | N50 | 121.8° | 120.0° |
| C55 | C51 | C52 | H47 | 119.6° | 120.1° |
| C55 | C51 | N50 | H47 | 117.9° | 120.1° |
| C55 | C51 | C52 | C53 | 148.5° | 180.0° |
| C55 | C51 | N50 | C48 | 140.5° | 155.0° |
| C55 | C51 | N50 | H46 | 39.5° | 24.9° |
| C55 | C51 | C52 | H48 | 33.8° | 60.0° |
| C51 | C55 | O57 | H55 | 178.9° | 180.0° |
| C54 | C52 | C51 | C53 | 130.1° | 120.1° |
| C54 | C52 | C51 | H48 | 115.2° | 120.0° |
| C54 | C52 | C51 | N50 | 40.4° | 60.0° |
| C54 | C52 | C53 | H48 | 113.8° | 120.0° |
| C54 | C52 | C51 | H47 | 159.0° | 180.0° |
| C54 | C52 | C53 | H49 | 180.0° | 180.0° |
| C54 | C52 | C53 | H50 | 60.0° | 60.0° |
| C54 | C52 | C53 | H51 | 60.0° | 60.0° |
| C52 | C54 | H52 | H53 | 120.0° | 120.0° |
| C52 | C54 | H52 | H54 | 120.0° | 120.0° |
| C52 | C54 | H53 | H54 | 120.0° | 119.9° |
| C52 | C51 | N50 | H47 | 117.7° | 119.9° |
| C51 | C52 | C53 | H48 | 114.8° | 120.0° |
| C52 | C51 | N50 | C48 | 95.2° | 85.0° |
| C52 | C51 | N50 | H46 | 84.8° | 95.1° |
| C51 | C52 | C53 | H49 | 48.7° | 60.0° |
| C51 | C52 | C53 | H50 | 71.3° | 60.0° |
| C51 | C52 | C53 | H51 | 168.7° | 180.0° |
| C51 | C52 | C54 | H52 | 180.0° | 60.0° |
| C51 | C52 | C54 | H53 | 60.0° | 180.0° |
| C51 | C52 | C54 | H54 | 60.0° | 60.1° |
| N50 | C51 | C52 | C53 | 89.7° | 60.0° |
| C51 | N50 | C48 | H46 | 180.0° | 179.9° |
| C51 | N50 | C48 | N47 | 179.8° | 180.0° |
| C51 | N50 | C48 | O49 | 0.3° | 0.1° |
| N50 | C51 | C52 | H48 | 155.6° | 180.0° |
| C53 | C52 | C51 | H47 | 28.9° | 59.9° |
| C52 | C53 | H49 | H50 | 120.0° | 120.0° |
| C52 | C53 | H49 | H51 | 120.0° | 120.0° |
| C52 | C53 | H50 | H51 | 120.0° | 120.0° |
| C53 | C52 | C54 | H52 | 49.0° | 180.0° |
| C53 | C52 | C54 | H53 | 71.0° | 60.0° |
| C53 | C52 | C54 | H54 | 169.0° | 60.0° |
| N50 | C48 | N47 | O49 | 180.0° | 179.9° |
| N50 | C48 | N47 | C46 | 179.8° | 180.0° |
| N50 | C48 | N47 | H45 | 0.2° | 0.1° |
| C48 | N50 | C51 | H47 | 22.6° | 34.9° |
| C48 | N47 | C46 | H45 | 180.0° | 179.9° |
| C48 | N47 | C46 | C58 | 129.5° | 85.0° |
| C48 | N47 | C46 | C44 | 112.9° | 155.1° |
| C48 | N47 | C46 | H44 | 9.4° | 35.0° |
| N47 | C48 | N50 | H46 | 0.3° | 0.1° |
| O49 | C48 | N47 | C46 | 0.3° | 0.1° |
| O49 | C48 | N47 | H45 | 179.7° | 180.0° |
| O49 | C48 | N50 | H46 | 179.7° | 180.0° |
| N47 | C46 | C58 | C63 | 61.7° | 63.2° |
| N47 | C46 | C58 | C44 | 116.8° | 120.0° |
| N47 | C46 | C58 | H44 | 122.1° | 120.1° |
| N47 | C46 | C44 | H44 | 123.4° | 120.1° |
| N47 | C46 | C58 | N59 | 166.1° | 178.8° |
| N47 | C46 | C44 | O45 | 89.2° | 9.8° |
| N47 | C46 | C44 | N43 | 91.0° | 170.2° |
| N47 | C46 | C58 | H56 | 51.0° | 57.8° |
| C63 | C64 | N61 | H62 | 120.7° | 120.3° |
| C63 | C64 | N61 | H63 | 120.6° | 120.3° |
| C64 | C63 | C58 | H60 | 119.9° | 119.7° |
| C64 | C63 | C58 | H61 | 119.9° | 119.9° |
| C64 | C63 | C58 | C46 | 169.8° | 178.9° |
| C64 | C63 | C58 | N59 | 63.3° | 59.4° |
| C63 | C64 | N61 | C60 | 32.0° | 20.8° |
| C64 | C63 | C58 | H56 | 57.6° | 60.1° |
| C64 | C63 | H60 | H61 | 120.3° | 120.6° |
| C63 | C64 | H62 | H63 | 118.0° | 119.5° |
| N61 | C64 | C63 | C58 | 59.2° | 49.4° |
| C64 | N61 | C60 | N59 | 0.1° | 1.0° |
| C64 | N61 | C60 | N62 | 180.0° | 179.0° |
| N61 | C64 | C63 | H60 | 179.1° | 70.3° |
| N61 | C64 | C63 | H61 | 60.7° | 169.2° |
| N61 | C64 | H62 | H63 | 118.0° | 119.4° |
| C63 | C58 | C46 | N59 | 132.2° | 118.0° |
| C63 | C58 | C46 | H56 | 112.7° | 121.0° |
| C63 | C58 | C46 | C44 | 178.5° | 176.8° |
| C63 | C58 | N59 | H56 | 120.1° | 119.5° |
| C63 | C58 | N59 | C60 | 30.5° | 42.2° |
| C63 | C58 | C46 | H44 | 60.4° | 56.9° |
| C63 | C58 | N59 | H57 | 149.5° | 137.8° |
| C58 | C63 | H60 | H61 | 120.3° | 120.5° |
| C58 | C63 | C64 | H62 | 179.8° | 71.0° |
| C58 | C63 | C64 | H63 | 61.4° | 169.6° |
| C03 | C02 | C01 | C04 | 134.1° | 120.0° |
| C03 | C02 | C01 | H11 | 112.5° | 120.0° |
| C03 | C02 | C04 | H11 | 114.3° | 120.0° |
| C03 | C02 | C04 | C05 | 26.0° | 172.9° |
| C03 | C02 | C01 | H8 | 180.0° | 176.6° |
| C03 | C02 | C01 | H9 | 60.0° | 56.6° |
| C03 | C02 | C01 | H10 | 60.0° | 63.4° |
| C02 | C03 | H12 | H13 | 120.0° | 120.0° |
| C02 | C03 | H12 | H14 | 120.0° | 120.0° |
| C02 | C03 | H13 | H14 | 120.0° | 120.0° |
| C03 | C02 | C04 | H15 | 95.1° | 52.9° |
| C03 | C02 | C04 | H16 | 147.0° | 67.1° |
| C58 | C46 | C44 | H44 | 120.2° | 119.9° |
| C46 | C58 | N59 | H56 | 113.4° | 121.0° |
| C58 | C46 | C44 | O45 | 27.2° | 110.2° |
| C58 | C46 | C44 | N43 | 152.6° | 69.8° |
| C46 | C58 | N59 | C60 | 157.1° | 161.7° |
| C58 | C46 | N47 | H45 | 50.5° | 94.9° |
| C46 | C58 | N59 | H57 | 22.9° | 18.3° |
| C46 | C58 | C63 | H60 | 49.9° | 59.2° |
| C46 | C58 | C63 | H61 | 70.3° | 61.2° |
| C44 | C46 | C58 | N59 | 49.3° | 58.9° |
| C46 | C44 | O45 | N43 | 179.8° | 180.0° |
| C46 | C44 | N43 | C05 | 179.6° | 175.5° |
| C46 | C44 | N43 | H43 | 0.4° | 4.5° |
| C44 | C46 | N47 | H45 | 67.0° | 25.0° |
| C44 | C46 | C58 | H56 | 65.7° | 62.2° |
| C58 | N59 | C60 | N61 | 1.0° | 12.9° |
| C58 | N59 | C60 | H57 | 180.0° | 180.0° |
| C58 | N59 | C60 | N62 | 179.2° | 167.1° |
| N59 | C58 | C46 | H44 | 71.8° | 61.1° |
| N59 | C58 | C63 | H60 | 176.8° | 60.3° |
| N59 | C58 | C63 | H61 | 56.6° | 179.3° |
| N61 | C60 | N59 | N62 | 179.8° | 180.0° |
| N61 | C60 | N59 | H57 | 179.0° | 167.1° |
| N61 | C60 | N62 | H58 | 0.0° | 179.9° |
| N61 | C60 | N62 | H59 | 180.0° | 0.0° |
| C60 | N61 | C64 | H62 | 152.6° | 99.6° |
| C60 | N61 | C64 | H63 | 88.6° | 141.1° |
| O45 | C44 | N43 | C05 | 0.6° | 4.6° |
| O45 | C44 | N43 | H43 | 179.4° | 175.5° |
| O45 | C44 | C46 | H44 | 147.4° | 129.9° |
| C44 | N43 | C05 | H43 | 180.0° | 180.0° |
| C44 | N43 | C05 | C04 | 161.9° | 88.5° |
| C44 | N43 | C05 | C06 | 73.2° | 151.5° |
| C44 | N43 | C05 | H17 | 44.1° | 31.4° |
| N43 | C44 | C46 | H44 | 32.5° | 50.1° |
| C01 | C02 | C04 | H11 | 113.6° | 120.0° |
| C01 | C02 | C04 | C05 | 106.1° | 67.1° |
| C02 | C01 | H8 | H9 | 120.0° | 120.0° |
| C02 | C01 | H8 | H10 | 120.0° | 120.0° |
| C02 | C01 | H9 | H10 | 120.0° | 120.0° |
| C01 | C02 | C03 | H12 | 180.0° | 60.0° |
| C01 | C02 | C03 | H13 | 60.0° | 180.0° |
| C01 | C02 | C03 | H14 | 60.0° | 60.0° |
| C01 | C02 | C04 | H15 | 132.8° | 172.9° |
| C01 | C02 | C04 | H16 | 15.0° | 52.9° |
| C02 | C04 | C05 | N43 | 52.3° | 176.2° |
| C02 | C04 | C05 | H15 | 121.1° | 120.0° |
| C02 | C04 | C05 | H16 | 121.1° | 120.0° |
| C02 | C04 | C05 | C06 | 172.4° | 63.7° |
| C04 | C02 | C01 | H8 | 45.9° | 56.6° |
| C04 | C02 | C01 | H9 | 165.9° | 63.4° |
| C04 | C02 | C01 | H10 | 74.1° | 176.6° |
| C04 | C02 | C03 | H12 | 46.7° | 60.0° |
| C04 | C02 | C03 | H13 | 73.3° | 60.0° |
| C04 | C02 | C03 | H14 | 166.6° | 180.0° |
| C02 | C04 | H15 | H16 | 116.6° | 120.1° |
| C02 | C04 | C05 | H17 | 66.2° | 56.2° |
| N43 | C05 | C04 | C06 | 120.2° | 120.0° |
| N43 | C05 | C04 | H17 | 118.5° | 120.0° |
| N43 | C05 | C06 | H17 | 118.2° | 120.0° |
| N43 | C05 | C06 | O07 | 0.3° | 16.1° |
| N43 | C05 | C06 | N08 | 178.5° | 164.0° |
| N43 | C05 | C04 | H15 | 173.4° | 63.8° |
| N43 | C05 | C04 | H16 | 68.8° | 56.2° |
| C60 | N59 | C58 | H56 | 89.5° | 77.2° |
| N59 | C60 | N62 | H58 | 179.8° | 0.1° |
| N59 | C60 | N62 | H59 | 0.2° | 180.0° |
| N62 | C60 | N59 | H57 | 0.8° | 12.9° |
| C60 | N62 | H58 | H59 | 180.0° | 179.9° |
| C04 | C05 | C06 | H17 | 121.4° | 120.0° |
| C04 | C05 | C06 | O07 | 120.7° | 103.9° |
| C04 | C05 | C06 | N08 | 61.1° | 76.0° |
| C05 | C04 | C02 | H11 | 140.3° | 52.9° |
| C05 | C04 | H15 | H16 | 116.6° | 119.9° |
| C04 | C05 | N43 | H43 | 18.1° | 91.5° |
| C05 | C06 | O07 | N08 | 178.3° | 179.9° |
| C05 | C06 | N08 | C09 | 179.3° | 175.6° |
| C06 | C05 | C04 | H15 | 66.5° | 56.3° |
| C06 | C05 | C04 | H16 | 51.4° | 176.2° |
| C05 | C06 | N08 | H18 | 0.7° | 4.4° |
| C06 | C05 | N43 | H43 | 106.8° | 28.5° |
| O07 | C06 | N08 | C09 | 1.1° | 4.5° |
| O07 | C06 | C05 | H17 | 117.9° | 136.1° |
| O07 | C06 | N08 | H18 | 178.9° | 175.5° |
| C06 | N08 | C09 | H18 | 180.0° | 180.0° |
| C06 | N08 | C09 | C10 | 120.2° | 180.0° |
| N08 | C06 | C05 | H17 | 60.3° | 43.9° |
| C06 | N08 | C09 | H19 | 118.5° | 59.9° |
| C06 | N08 | C09 | H20 | 1.2° | 60.0° |
| O42 | C40 | O41 | C13 | 179.3° | 180.0° |
| O42 | C40 | C13 | N12 | 142.4° | 0.0° |
| O42 | C40 | C13 | C14 | 93.6° | 120.0° |
| O42 | C40 | C13 | H5 | 24.1° | 120.0° |
| O42 | C40 | O41 | H42 | 0.0° | 0.0° |
| N08 | C09 | C10 | C11 | 101.3° | 180.0° |
| N08 | C09 | C10 | H19 | 121.3° | 120.0° |
| N08 | C09 | C10 | H20 | 121.3° | 120.0° |
| N08 | C09 | C10 | H1 | 137.1° | 60.0° |
| N08 | C09 | C10 | H2 | 20.3° | 60.0° |
| N08 | C09 | H19 | H20 | 115.7° | 119.9° |
| O33 | C29 | N30 | N28 | 180.0° | 179.9° |
| O33 | C29 | N30 | C31 | 179.8° | 179.9° |
| O33 | C29 | N28 | C27 | 0.8° | 0.1° |
| O33 | C29 | N28 | C34 | 179.6° | 179.8° |
| O33 | C29 | N30 | H35 | 0.1° | 0.1° |
| O41 | C40 | C13 | N12 | 36.9° | 180.0° |
| O41 | C40 | C13 | C14 | 87.1° | 60.0° |
| O41 | C40 | C13 | H5 | 155.2° | 60.0° |
| C40 | C13 | N12 | C11 | 53.7° | 87.2° |
| C40 | C13 | N12 | C14 | 125.9° | 120.0° |
| C40 | C13 | N12 | H5 | 117.7° | 120.1° |
| C40 | C13 | C14 | H5 | 117.9° | 120.0° |
| C40 | C13 | C14 | C25 | 44.8° | 179.5° |
| C40 | C13 | C14 | O15 | 168.3° | 60.6° |
| C40 | C13 | N12 | H3 | 174.2° | 148.8° |
| C40 | C13 | C14 | H23 | 73.8° | 59.4° |
| C13 | C40 | O41 | H42 | 179.3° | 180.0° |
| C10 | C11 | N12 | H21 | 121.3° | 120.0° |
| C10 | C11 | N12 | H22 | 121.4° | 120.0° |
| C11 | C10 | C09 | H1 | 121.6° | 120.0° |
| C11 | C10 | C09 | H2 | 121.6° | 120.0° |
| C10 | C11 | N12 | C13 | 171.6° | 180.0° |
| C11 | C10 | H1 | H2 | 114.9° | 120.0° |
| C10 | C11 | N12 | H3 | 67.8° | 56.0° |
| C11 | C10 | C09 | H19 | 137.3° | 60.0° |
| C11 | C10 | C09 | H20 | 20.0° | 60.0° |
| C10 | C11 | H21 | H22 | 115.7° | 120.0° |
| N12 | C11 | C10 | C09 | 97.1° | 180.0° |
| C11 | N12 | C13 | H3 | 120.5° | 124.0° |
| C11 | N12 | C13 | C14 | 179.6° | 152.8° |
| N12 | C11 | C10 | H1 | 24.4° | 60.0° |
| N12 | C11 | C10 | H2 | 141.3° | 60.0° |
| C11 | N12 | C13 | H5 | 64.0° | 32.9° |
| N12 | C11 | H21 | H22 | 115.7° | 120.0° |
| C09 | C10 | H1 | H2 | 114.9° | 120.1° |
| C10 | C09 | N08 | H18 | 59.8° | 0.0° |
| C10 | C09 | H19 | H20 | 115.7° | 120.1° |
| C09 | C10 | C11 | H21 | 24.2° | 60.0° |
| C09 | C10 | C11 | H22 | 141.5° | 60.0° |
| C29 | N30 | C31 | H35 | 180.0° | 180.0° |
| N30 | C29 | N28 | C27 | 179.2° | 180.0° |
| N30 | C29 | N28 | C34 | 0.4° | 0.3° |
| C29 | N30 | C31 | O32 | 179.5° | 179.9° |
| C29 | N30 | C31 | C35 | 0.4° | 0.0° |
| C29 | N28 | C27 | O26 | 133.9° | 53.8° |
| N28 | C29 | N30 | C31 | 0.2° | 0.0° |
| C29 | N28 | C27 | C34 | 179.6° | 179.7° |
| C29 | N28 | C27 | C37 | 108.8° | 61.6° |
| C29 | N28 | C34 | C35 | 0.9° | 0.6° |
| C29 | N28 | C27 | H34 | 12.5° | 176.1° |
| N28 | C29 | N30 | H35 | 179.9° | 180.0° |
| C29 | N28 | C34 | H36 | 179.1° | 179.7° |
| O26 | C27 | N28 | C37 | 117.3° | 115.4° |
| O26 | C27 | N28 | H34 | 121.3° | 122.2° |
| O26 | C27 | C37 | H34 | 115.0° | 118.9° |
| O26 | C27 | N28 | C34 | 45.7° | 126.5° |
| O26 | C27 | C37 | O38 | 79.9° | 142.6° |
| C27 | O26 | C25 | C14 | 133.0° | 159.3° |
| C27 | O26 | C25 | C36 | 10.6° | 40.5° |
| O26 | C27 | C37 | C36 | 35.3° | 23.9° |
| C27 | O26 | C25 | H33 | 105.8° | 78.4° |
| O26 | C27 | C37 | H39 | 156.7° | 94.7° |
| C25 | O26 | C27 | N28 | 107.9° | 159.3° |
| C25 | O26 | C27 | C37 | 14.9° | 40.5° |
| O26 | C25 | C14 | C13 | 40.2° | 172.9° |
| O26 | C25 | C14 | C36 | 118.3° | 115.4° |
| O26 | C25 | C14 | H33 | 121.3° | 122.4° |
| O26 | C25 | C36 | H33 | 116.2° | 118.9° |
| O26 | C25 | C36 | C37 | 32.2° | 24.0° |
| O26 | C25 | C14 | O15 | 82.5° | 67.1° |
| O26 | C25 | C36 | O39 | 152.9° | 142.6° |
| O26 | C25 | C14 | H23 | 158.5° | 52.9° |
| C25 | O26 | C27 | H34 | 130.2° | 78.5° |
| O26 | C25 | C36 | H38 | 84.5° | 94.8° |
| N30 | C31 | O32 | C35 | 179.8° | 179.9° |
| N30 | C31 | C35 | C34 | 0.8° | 0.3° |
| N30 | C31 | C35 | H37 | 179.2° | 180.0° |
| N28 | C27 | C37 | H34 | 121.6° | 122.3° |
| N28 | C27 | C37 | O38 | 156.8° | 98.6° |
| C27 | N28 | C34 | C35 | 178.7° | 179.7° |
| N28 | C27 | C37 | C36 | 88.0° | 142.8° |
| C27 | N28 | C34 | H36 | 1.3° | 0.0° |
| N28 | C27 | C37 | H39 | 33.3° | 24.2° |
| C37 | C27 | N28 | C34 | 71.6° | 118.1° |
| C27 | C37 | O38 | C36 | 112.7° | 114.6° |
| C27 | C37 | O38 | H39 | 123.3° | 122.7° |
| C27 | C37 | C36 | C25 | 42.7° | 0.0° |
| C27 | C37 | C36 | H39 | 121.3° | 118.6° |
| C27 | C37 | C36 | O39 | 164.3° | 118.7° |
| C27 | C37 | C36 | H38 | 73.9° | 118.7° |
| C27 | C37 | O38 | H40 | 180.0° | 61.5° |
| N12 | C13 | C14 | H5 | 117.2° | 120.0° |
| N12 | C13 | C14 | C25 | 169.7° | 60.5° |
| N12 | C13 | C14 | O15 | 66.8° | 59.5° |
| C13 | N12 | C11 | H21 | 50.3° | 60.0° |
| C13 | N12 | C11 | H22 | 67.0° | 60.1° |
| N12 | C13 | C14 | H23 | 51.2° | 179.4° |
| C13 | C14 | C25 | O15 | 122.7° | 120.0° |
| C13 | C14 | C25 | H23 | 118.3° | 120.0° |
| C13 | C14 | C25 | C36 | 158.5° | 57.5° |
| C13 | C14 | O15 | H23 | 117.1° | 120.0° |
| C13 | C14 | O15 | C16 | 134.3° | 152.5° |
| C14 | C13 | N12 | H3 | 59.9° | 28.8° |
| C13 | C14 | C25 | H33 | 81.1° | 64.7° |
| N28 | C34 | C35 | C31 | 1.1° | 0.6° |
| N28 | C34 | C35 | H36 | 180.0° | 179.7° |
| C34 | N28 | C27 | H34 | 167.1° | 4.2° |
| N28 | C34 | C35 | H37 | 178.9° | 179.7° |
| O32 | C31 | C35 | C34 | 179.0° | 179.7° |
| O32 | C31 | N30 | H35 | 0.5° | 0.0° |
| O32 | C31 | C35 | H37 | 1.0° | 0.1° |
| C31 | C35 | C34 | H37 | 180.0° | 179.8° |
| C35 | C31 | N30 | H35 | 179.7° | 180.0° |
| C31 | C35 | C34 | H36 | 178.9° | 179.7° |
| O38 | C37 | C36 | C25 | 71.9° | 118.6° |
| O38 | C37 | C36 | H39 | 124.1° | 122.7° |
| O38 | C37 | C36 | O39 | 49.7° | 0.0° |
| O38 | C37 | C27 | H34 | 35.2° | 23.7° |
| O38 | C37 | C36 | H38 | 171.5° | 122.7° |
| C14 | C25 | C36 | H33 | 120.2° | 122.2° |
| C14 | C25 | C36 | C37 | 155.8° | 142.8° |
| C25 | C14 | O15 | H23 | 118.4° | 120.0° |
| C14 | C25 | C36 | O39 | 83.4° | 98.6° |
| C25 | C14 | O15 | C16 | 101.1° | 87.5° |
| C25 | C14 | C13 | H5 | 73.1° | 59.4° |
| C14 | C25 | C36 | H38 | 39.1° | 24.0° |
| C25 | C36 | C37 | O39 | 121.6° | 118.7° |
| C25 | C36 | C37 | H38 | 116.6° | 118.7° |
| C36 | C25 | C14 | O15 | 35.8° | 177.5° |
| C25 | C36 | O39 | H38 | 122.4° | 122.6° |
| C36 | C25 | C14 | H23 | 83.2° | 62.5° |
| C25 | C36 | C37 | H39 | 164.0° | 118.6° |
| C25 | C36 | O39 | H41 | 180.0° | 180.0° |
| C37 | C36 | O39 | H38 | 121.8° | 122.7° |
| C37 | C36 | C25 | H33 | 84.0° | 95.0° |
| C36 | C37 | C27 | H34 | 150.4° | 94.9° |
| C36 | C37 | O38 | H40 | 67.3° | 176.1° |
| C37 | C36 | O39 | H41 | 64.2° | 65.3° |
| C14 | O15 | C16 | O17 | 98.8° | 66.4° |
| C14 | O15 | C16 | C21 | 147.5° | 179.5° |
| O15 | C14 | C13 | H5 | 50.4° | 179.4° |
| C14 | O15 | C16 | H24 | 24.2° | 56.5° |
| O15 | C14 | C25 | H33 | 156.2° | 55.3° |
| O39 | C36 | C25 | H33 | 36.8° | 23.7° |
| O39 | C36 | C37 | H39 | 74.4° | 122.7° |
| O15 | C16 | O17 | C21 | 117.1° | 118.5° |
| O15 | C16 | O17 | H24 | 123.8° | 122.9° |
| O15 | C16 | C21 | H24 | 124.0° | 123.0° |
| O15 | C16 | C21 | C22 | 80.6° | 155.5° |
| O15 | C16 | O17 | C18 | 94.4° | 158.5° |
| O15 | C16 | C21 | O24 | 162.6° | 86.3° |
| O15 | C16 | C21 | H6 | 39.1° | 37.3° |
| C16 | O15 | C14 | H23 | 17.2° | 32.5° |
| N20 | C19 | C18 | H26 | 121.1° | 120.0° |
| N20 | C19 | C18 | H27 | 121.1° | 119.9° |
| N20 | C19 | C18 | C22 | 99.9° | 175.0° |
| N20 | C19 | C18 | O17 | 143.2° | 67.1° |
| N20 | C19 | C18 | H25 | 22.3° | 53.9° |
| N20 | C19 | H26 | H27 | 116.4° | 119.9° |
| C19 | N20 | H28 | H29 | 120.0° | 123.9° |
| C19 | C18 | O17 | C16 | 118.3° | 145.9° |
| C19 | C18 | C22 | C21 | 139.8° | 121.5° |
| C19 | C18 | C22 | O17 | 118.3° | 119.5° |
| C19 | C18 | C22 | H25 | 122.1° | 121.2° |
| C19 | C18 | C22 | O23 | 102.6° | 119.8° |
| C19 | C18 | O17 | H25 | 120.9° | 121.2° |
| C19 | C18 | C22 | H7 | 20.4° | 2.8° |
| C18 | C19 | H26 | H27 | 116.4° | 120.0° |
| C18 | C19 | N20 | H28 | 180.0° | 56.1° |
| C18 | C19 | N20 | H29 | 60.0° | 180.0° |
| O17 | C16 | C21 | H24 | 118.9° | 118.5° |
| O17 | C16 | C21 | C22 | 36.5° | 37.0° |
| C16 | O17 | C18 | C22 | 1.0° | 26.4° |
| O17 | C16 | C21 | O24 | 80.3° | 155.2° |
| O17 | C16 | C21 | H6 | 156.2° | 81.2° |
| C16 | O17 | C18 | H25 | 120.8° | 92.9° |
| C16 | C21 | C22 | O24 | 118.1° | 118.2° |
| C16 | C21 | C22 | H6 | 119.5° | 118.2° |
| C16 | C21 | C22 | C18 | 36.0° | 20.9° |
| C16 | C21 | C22 | O23 | 154.3° | 97.8° |
| C21 | C16 | O17 | C18 | 22.7° | 40.0° |
| C16 | C21 | O24 | H6 | 123.4° | 123.6° |
| C16 | C21 | C22 | H7 | 83.3° | 139.5° |
| C16 | C21 | O24 | H32 | 180.0° | 64.3° |
| C21 | C22 | C18 | O23 | 117.6° | 118.7° |
| C21 | C22 | C18 | H7 | 119.4° | 118.7° |
| C21 | C22 | O23 | H7 | 122.3° | 122.7° |
| C21 | C22 | C18 | O17 | 21.5° | 2.0° |
| C22 | C21 | O24 | H6 | 122.3° | 123.6° |
| C22 | C21 | C16 | H24 | 155.4° | 81.5° |
| C21 | C22 | C18 | H25 | 98.1° | 117.3° |
| C21 | C22 | O23 | H31 | 180.0° | 61.5° |
| C22 | C21 | O24 | H32 | 65.7° | 177.1° |
| C18 | C22 | O23 | H7 | 122.8° | 122.6° |
| C22 | C18 | O17 | H25 | 119.8° | 119.4° |
| C18 | C22 | C21 | O24 | 82.0° | 139.1° |
| C18 | C22 | C21 | H6 | 155.6° | 97.4° |
| C22 | C18 | C19 | H26 | 138.9° | 55.0° |
| C22 | C18 | C19 | H27 | 21.2° | 65.0° |
| C18 | C22 | O23 | H31 | 65.1° | 176.3° |
| O23 | C22 | C18 | O17 | 139.0° | 120.7° |
| O23 | C22 | C21 | O24 | 36.3° | 20.4° |
| O23 | C22 | C21 | H6 | 86.1° | 144.0° |
| O23 | C22 | C18 | H25 | 19.5° | 1.4° |
| O17 | C18 | C22 | H7 | 98.0° | 116.7° |
| C18 | O17 | C16 | H24 | 141.8° | 78.6° |
| O17 | C18 | C19 | H26 | 22.0° | 172.9° |
| O17 | C18 | C19 | H27 | 95.7° | 52.8° |
| O24 | C21 | C22 | H7 | 158.7° | 102.3° |
| O24 | C21 | C16 | H24 | 38.6° | 36.7° |
| H1 | C10 | C09 | H19 | 15.8° | 59.9° |
| H1 | C10 | C09 | H20 | 101.6° | 180.0° |
| H1 | C10 | C11 | H21 | 145.8° | 180.0° |
| H1 | C10 | C11 | H22 | 96.9° | 60.0° |
| H2 | C10 | C09 | H19 | 101.1° | 180.0° |
| H2 | C10 | C09 | H20 | 141.6° | 60.0° |
| H2 | C10 | C11 | H21 | 97.4° | 60.0° |
| H2 | C10 | C11 | H22 | 19.9° | 179.9° |
| H3 | N12 | C13 | H5 | 56.5° | 91.1° |
| H3 | N12 | C11 | H21 | 170.8° | 176.0° |
| H3 | N12 | C11 | H22 | 53.5° | 63.9° |
| H5 | C13 | C14 | H23 | 168.4° | 60.6° |
| H6 | C21 | C22 | H7 | 36.3° | 21.3° |
| H6 | C21 | C16 | H24 | 84.9° | 160.3° |
| H6 | C21 | O24 | H32 | 56.6° | 59.3° |
| H7 | C22 | C18 | H25 | 142.5° | 124.0° |
| H7 | C22 | O23 | H31 | 57.7° | 61.2° |
| H8 | C01 | H9 | H10 | 120.0° | 120.0° |
| H8 | C01 | C02 | H11 | 67.5° | 63.4° |
| H9 | C01 | C02 | H11 | 52.5° | 176.6° |
| H10 | C01 | C02 | H11 | 172.5° | 56.6° |
| H11 | C02 | C03 | H12 | 67.5° | 180.0° |
| H11 | C02 | C03 | H13 | 172.6° | 60.0° |
| H11 | C02 | C03 | H14 | 52.5° | 60.0° |
| H11 | C02 | C04 | H15 | 19.2° | 67.1° |
| H11 | C02 | C04 | H16 | 98.7° | 172.9° |
| H12 | C03 | H13 | H14 | 120.0° | 119.9° |
| H15 | C04 | C05 | H17 | 54.8° | 176.3° |
| H16 | C04 | C05 | H17 | 172.7° | 63.8° |
| H17 | C05 | N43 | H43 | 135.9° | 148.5° |
| H18 | N08 | C09 | H19 | 61.5° | 120.0° |
| H18 | N08 | C09 | H20 | 178.8° | 120.0° |
| H23 | C14 | C25 | H33 | 37.3° | 175.3° |
| H25 | C18 | C19 | H26 | 98.8° | 66.1° |
| H25 | C18 | C19 | H27 | 143.5° | 173.8° |
| H26 | C19 | N20 | H28 | 58.8° | 64.0° |
| H26 | C19 | N20 | H29 | 61.2° | 59.9° |
| H27 | C19 | N20 | H28 | 58.9° | 176.0° |
| H27 | C19 | N20 | H29 | 178.9° | 60.1° |
| H33 | C25 | C36 | H38 | 159.3° | 146.3° |
| H34 | C27 | C37 | H39 | 88.3° | 146.5° |
| H36 | C34 | C35 | H37 | 1.1° | 0.0° |
| H38 | C36 | C37 | H39 | 47.4° | 0.1° |
| H38 | C36 | O39 | H41 | 57.6° | 57.4° |
| H39 | C37 | O38 | H40 | 56.6° | 61.2° |
| H44 | C46 | N47 | H45 | 170.6° | 145.0° |
| H44 | C46 | C58 | H56 | 173.2° | 177.9° |
| H46 | N50 | C51 | H47 | 157.5° | 145.0° |
| H47 | C51 | C52 | H48 | 85.8° | 60.1° |
| H48 | C52 | C53 | H49 | 66.1° | 60.0° |
| H48 | C52 | C53 | H50 | 173.9° | 180.0° |
| H48 | C52 | C53 | H51 | 53.9° | 60.0° |
| H48 | C52 | C54 | H52 | 64.8° | 60.0° |
| H48 | C52 | C54 | H53 | 175.2° | 60.0° |
| H48 | C52 | C54 | H54 | 55.2° | 180.0° |
| H49 | C53 | H50 | H51 | 120.0° | 120.0° |
| H52 | C54 | H53 | H54 | 120.0° | 120.0° |
| H56 | C58 | N59 | H57 | 90.5° | 102.8° |
| H56 | C58 | C63 | H60 | 62.2° | 179.8° |
| H56 | C58 | C63 | H61 | 177.5° | 59.8° |
| H60 | C63 | C64 | H62 | 60.2° | 169.4° |
| H60 | C63 | C64 | H63 | 58.5° | 50.0° |
| H61 | C63 | C64 | H62 | 59.9° | 48.9° |
| H61 | C63 | C64 | H63 | 178.6° | 70.5° |
