01K
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
P2 | O1 | sing | 1.61Å | 1.48Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å | |
O37 | P2 | doub | 1.48Å | 1.49Å | |
O38 | P2 | sing | 1.61Å | 1.55Å | |
O3 | P2 | sing | 1.61Å | 1.63Å | |
P4 | O3 | sing | 1.61Å | 1.59Å | |
O35 | P4 | doub | 1.48Å | 1.48Å | |
O5 | P4 | sing | 1.61Å | 1.59Å | |
P4 | O36 | sing | 1.61Å | 1.48Å | |
O5 | C6 | sing | 1.43Å | 1.42Å | |
C7 | C6 | sing | 1.53Å | 1.53Å | |
C6 | H6 | sing | 1.09Å | 1.10Å | |
C6 | H6A | sing | 1.09Å | 1.10Å | |
C10 | C7 | sing | 1.53Å | 1.56Å | |
C9 | C7 | sing | 1.53Å | 1.54Å | |
C7 | C8 | sing | 1.53Å | 1.54Å | |
C8 | H8 | sing | 1.09Å | 1.10Å | |
C8 | H8A | sing | 1.09Å | 1.10Å | |
C8 | H8B | sing | 1.09Å | 1.10Å | |
C9 | H9 | sing | 1.09Å | 1.10Å | |
C9 | H9A | sing | 1.09Å | 1.10Å | |
C9 | H9B | sing | 1.09Å | 1.10Å | |
C12 | C10 | sing | 1.51Å | 1.53Å | |
C10 | O11 | sing | 1.43Å | 1.44Å | |
C10 | H10 | sing | 1.09Å | 1.10Å | |
O11 | HO11 | sing | 0.97Å | 0.95Å | |
O34 | C12 | doub | 1.21Å | 1.23Å | |
C12 | N13 | sing | 1.35Å | 1.34Å | |
C14 | N13 | sing | 1.47Å | 1.48Å | |
N13 | HN13 | sing | 0.97Å | 1.00Å | |
C14 | C15 | sing | 1.53Å | 1.52Å | |
C14 | H14 | sing | 1.09Å | 1.10Å | |
C14 | H14A | sing | 1.09Å | 1.10Å | |
C15 | C16 | sing | 1.51Å | 1.54Å | |
C15 | H15 | sing | 1.09Å | 1.10Å | |
C15 | H15A | sing | 1.09Å | 1.10Å | |
C16 | N17 | sing | 1.35Å | 1.31Å | |
C16 | O33 | doub | 1.21Å | 1.23Å | |
N17 | C18 | sing | 1.47Å | 1.47Å | |
N17 | HN17 | sing | 0.97Å | 1.00Å | |
C18 | C19 | sing | 1.53Å | 1.47Å | |
C18 | H18 | sing | 1.09Å | 1.10Å | |
C18 | H18A | sing | 1.09Å | 1.10Å | |
C19 | S20 | sing | 1.81Å | 1.83Å | |
C19 | H19 | sing | 1.09Å | 1.10Å | |
C19 | H19A | sing | 1.09Å | 1.10Å | |
C21 | S20 | sing | 1.81Å | 1.84Å | |
C22 | C21 | sing | 1.51Å | 1.52Å | |
C21 | H21 | sing | 1.09Å | 1.10Å | |
C21 | H21A | sing | 1.09Å | 1.10Å | |
O32 | C22 | doub | 1.21Å | 1.23Å | |
C22 | NZ | sing | 1.35Å | 1.32Å | |
CE | NZ | sing | 1.46Å | 1.46Å | |
NZ | HNZ | sing | 0.97Å | 1.00Å | |
CE | CD | sing | 1.53Å | 1.51Å | |
CE | HE | sing | 1.09Å | 1.10Å | |
CE | HEA | sing | 1.09Å | 1.10Å | |
CG | CD | sing | 1.53Å | 1.52Å | |
CD | HD | sing | 1.09Å | 1.10Å | |
CD | HDA | sing | 1.09Å | 1.10Å | |
CG | CB | sing | 1.53Å | 1.51Å | |
CG | HG | sing | 1.09Å | 1.10Å | |
CG | HGA | sing | 1.09Å | 1.10Å | |
CA | CB | sing | 1.53Å | 1.53Å | |
CB | HB | sing | 1.09Å | 1.10Å | |
CB | HBA | sing | 1.09Å | 1.10Å | |
C | CA | sing | 1.51Å | 1.54Å | |
CA | N | sing | 1.47Å | 1.49Å | |
CA | HA | sing | 1.09Å | 1.10Å | |
N | C61 | sing | 1.35Å | 1.34Å | |
N | HN | sing | 0.97Å | 1.00Å | |
O | C | doub | 1.21Å | 1.22Å | |
N64 | C | sing | 1.35Å | 1.33Å | |
O36 | HO36 | sing | 0.97Å | 0.95Å | |
O38 | C39 | sing | 1.43Å | 1.42Å | |
C41 | C40 | sing | 1.54Å | 1.53Å | |
C40 | C39 | sing | 1.53Å | 1.54Å | |
C40 | O60 | sing | 1.44Å | 1.44Å | |
C40 | H40 | sing | 1.09Å | 1.10Å | |
C47 | C41 | sing | 1.55Å | 1.52Å | |
C41 | O42 | sing | 1.43Å | 1.45Å | |
C41 | H41 | sing | 1.09Å | 1.10Å | |
P43 | O45 | sing | 1.61Å | 1.56Å | |
O45 | HO45 | sing | 0.97Å | 0.95Å | |
P43 | O46 | sing | 1.61Å | 1.50Å | |
O46 | HO46 | sing | 0.97Å | 0.95Å | |
N50 | C54 | sing | 1.37Å | 1.32Å | Aromatic |
C53 | C54 | doub | 1.41Å | 1.39Å | Aromatic |
C54 | N55 | sing | 1.33Å | 1.36Å | Aromatic |
C63 | C61 | sing | 1.51Å | 1.53Å | |
C63 | H63 | sing | 1.09Å | 1.10Å | |
C63 | H63A | sing | 1.09Å | 1.10Å | |
C63 | H63B | sing | 1.09Å | 1.10Å | |
C61 | O62 | doub | 1.21Å | 1.23Å | |
N64 | HN64 | sing | 0.97Å | 1.00Å | |
N64 | HN6A | sing | 0.97Å | 1.00Å | |
C39 | H39 | sing | 1.09Å | 1.10Å | |
C39 | H39A | sing | 1.09Å | 1.10Å | |
C49 | O60 | sing | 1.44Å | 1.42Å | |
P43 | O42 | sing | 1.61Å | 1.61Å | |
O44 | P43 | doub | 1.48Å | 1.62Å | |
O48 | C47 | sing | 1.43Å | 1.43Å | |
C47 | C49 | sing | 1.55Å | 1.55Å | |
C47 | H47 | sing | 1.09Å | 1.10Å | |
O48 | HO48 | sing | 0.97Å | 0.95Å | |
C49 | N50 | sing | 1.47Å | 1.47Å | |
C49 | H49 | sing | 1.09Å | 1.10Å | |
C51 | N50 | sing | 1.36Å | 1.35Å | Aromatic |
C51 | N52 | doub | 1.30Å | 1.34Å | Aromatic |
C51 | H51 | sing | 1.08Å | 1.08Å | |
N52 | C53 | sing | 1.36Å | 1.33Å | Aromatic |
C53 | C58 | sing | 1.41Å | 1.38Å | Aromatic |
N55 | C56 | doub | 1.32Å | 1.33Å | Aromatic |
C56 | N57 | sing | 1.32Å | 1.34Å | Aromatic |
C56 | H56 | sing | 1.08Å | 1.08Å | |
C58 | N57 | doub | 1.33Å | 1.35Å | Aromatic |
N59 | C58 | sing | 1.38Å | 1.34Å | |
N59 | HN59 | sing | 0.97Å | 1.00Å | |
N59 | HN5A | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
P2 | O1 | HO1 | 109.5° | 114.0° |
O1 | P2 | O37 | 118.1° | 109.5° |
O1 | P2 | O38 | 109.7° | 109.5° |
O1 | P2 | O3 | 107.2° | 109.4° |
O37 | P2 | O38 | 107.2° | 109.5° |
O37 | P2 | O3 | 111.6° | 109.5° |
O38 | P2 | O3 | 101.8° | 109.5° |
P2 | O38 | C39 | 122.4° | 123.0° |
P2 | O3 | P4 | 129.4° | 134.0° |
O3 | P4 | O35 | 107.3° | 109.5° |
O3 | P4 | O5 | 107.4° | 109.4° |
O3 | P4 | O36 | 105.5° | 109.4° |
O35 | P4 | O5 | 106.7° | 109.5° |
O35 | P4 | O36 | 118.8° | 109.5° |
O5 | P4 | O36 | 110.6° | 109.5° |
P4 | O5 | C6 | 120.2° | 123.0° |
P4 | O36 | HO36 | 109.5° | 114.0° |
O5 | C6 | C7 | 110.7° | 109.5° |
O5 | C6 | H6 | 109.1° | 109.5° |
O5 | C6 | H6A | 108.8° | 109.5° |
C7 | C6 | H6 | 109.1° | 109.5° |
C7 | C6 | H6A | 108.8° | 109.5° |
C6 | C7 | C10 | 108.3° | 109.5° |
C6 | C7 | C9 | 108.9° | 109.4° |
C6 | C7 | C8 | 106.9° | 109.5° |
H6 | C6 | H6A | 110.4° | 109.5° |
C10 | C7 | C9 | 109.5° | 109.5° |
C10 | C7 | C8 | 112.5° | 109.5° |
C7 | C10 | C12 | 113.2° | 109.4° |
C7 | C10 | O11 | 110.6° | 109.5° |
C7 | C10 | H10 | 105.7° | 109.4° |
C9 | C7 | C8 | 110.7° | 109.5° |
C7 | C9 | H9 | 109.5° | 109.5° |
C7 | C9 | H9A | 109.5° | 109.4° |
C7 | C9 | H9B | 109.5° | 109.4° |
C7 | C8 | H8 | 109.5° | 109.5° |
C7 | C8 | H8A | 109.5° | 109.5° |
C7 | C8 | H8B | 109.4° | 109.4° |
H8 | C8 | H8A | 109.5° | 109.5° |
H8 | C8 | H8B | 109.4° | 109.4° |
H8A | C8 | H8B | 109.5° | 109.5° |
H9 | C9 | H9A | 109.5° | 109.5° |
H9 | C9 | H9B | 109.4° | 109.5° |
H9A | C9 | H9B | 109.5° | 109.5° |
C12 | C10 | O11 | 108.3° | 109.5° |
C12 | C10 | H10 | 108.1° | 109.5° |
C10 | C12 | O34 | 120.6° | 120.0° |
C10 | C12 | N13 | 114.4° | 120.0° |
O11 | C10 | H10 | 110.8° | 109.5° |
C10 | O11 | HO11 | 109.5° | 114.0° |
O34 | C12 | N13 | 125.0° | 120.0° |
C12 | N13 | C14 | 122.9° | 120.0° |
C12 | N13 | HN13 | 118.6° | 120.0° |
C14 | N13 | HN13 | 118.6° | 120.0° |
N13 | C14 | C15 | 109.2° | 109.5° |
N13 | C14 | H14 | 109.6° | 109.5° |
N13 | C14 | H14A | 109.6° | 109.4° |
C15 | C14 | H14 | 109.6° | 109.5° |
C15 | C14 | H14A | 109.6° | 109.5° |
C14 | C15 | C16 | 112.7° | 109.5° |
C14 | C15 | H15 | 108.4° | 109.4° |
C14 | C15 | H15A | 107.6° | 109.5° |
H14 | C14 | H14A | 109.3° | 109.5° |
C16 | C15 | H15 | 108.4° | 109.5° |
C16 | C15 | H15A | 107.7° | 109.5° |
C15 | C16 | N17 | 113.4° | 120.0° |
C15 | C16 | O33 | 124.2° | 120.0° |
H15 | C15 | H15A | 112.1° | 109.5° |
N17 | C16 | O33 | 122.3° | 120.0° |
C16 | N17 | C18 | 119.1° | 120.0° |
C16 | N17 | HN17 | 120.4° | 120.1° |
C18 | N17 | HN17 | 120.5° | 120.0° |
N17 | C18 | C19 | 113.7° | 109.5° |
N17 | C18 | H18 | 108.1° | 109.5° |
N17 | C18 | H18A | 107.1° | 109.5° |
C19 | C18 | H18 | 108.1° | 109.5° |
C19 | C18 | H18A | 107.1° | 109.5° |
C18 | C19 | S20 | 103.4° | 109.5° |
C18 | C19 | H19 | 111.5° | 109.5° |
C18 | C19 | H19A | 112.8° | 109.5° |
H18 | C18 | H18A | 112.8° | 109.5° |
S20 | C19 | H19 | 111.5° | 109.5° |
S20 | C19 | H19A | 112.8° | 109.5° |
C19 | S20 | C21 | 94.5° | 103.0° |
H19 | C19 | H19A | 104.9° | 109.5° |
S20 | C21 | C22 | 107.9° | 109.4° |
S20 | C21 | H21 | 110.0° | 109.5° |
S20 | C21 | H21A | 110.4° | 109.5° |
C22 | C21 | H21 | 110.0° | 109.4° |
C22 | C21 | H21A | 110.3° | 109.5° |
C21 | C22 | O32 | 122.1° | 120.0° |
C21 | C22 | NZ | 113.7° | 120.0° |
H21 | C21 | H21A | 108.2° | 109.5° |
O32 | C22 | NZ | 124.2° | 120.0° |
C22 | NZ | CE | 119.2° | 120.0° |
C22 | NZ | HNZ | 120.4° | 120.0° |
CE | NZ | HNZ | 120.4° | 120.0° |
NZ | CE | CD | 109.6° | 109.5° |
NZ | CE | HE | 109.4° | 109.5° |
NZ | CE | HEA | 109.4° | 109.5° |
CD | CE | HE | 109.4° | 109.5° |
CD | CE | HEA | 109.4° | 109.4° |
CE | CD | CG | 107.3° | 109.5° |
CE | CD | HD | 110.2° | 109.5° |
CE | CD | HDA | 110.7° | 109.5° |
HE | CE | HEA | 109.6° | 109.4° |
CG | CD | HD | 110.2° | 109.5° |
CG | CD | HDA | 110.7° | 109.5° |
CD | CG | CB | 109.2° | 109.5° |
CD | CG | HG | 109.6° | 109.4° |
CD | CG | HGA | 109.6° | 109.4° |
HD | CD | HDA | 107.8° | 109.5° |
CB | CG | HG | 109.6° | 109.5° |
CB | CG | HGA | 109.6° | 109.5° |
CG | CB | CA | 111.6° | 109.5° |
CG | CB | HB | 108.8° | 109.5° |
CG | CB | HBA | 108.3° | 109.5° |
HG | CG | HGA | 109.3° | 109.5° |
CA | CB | HB | 108.8° | 109.4° |
CA | CB | HBA | 108.3° | 109.4° |
CB | CA | C | 114.6° | 109.5° |
CB | CA | N | 112.0° | 109.4° |
CB | CA | HA | 106.0° | 109.5° |
HB | CB | HBA | 111.1° | 109.5° |
C | CA | N | 114.8° | 109.5° |
C | CA | HA | 102.5° | 109.5° |
CA | C | O | 118.7° | 120.0° |
CA | C | N64 | 117.9° | 120.0° |
N | CA | HA | 105.7° | 109.4° |
CA | N | C61 | 131.5° | 120.0° |
CA | N | HN | 114.2° | 120.0° |
C61 | N | HN | 114.3° | 120.1° |
N | C61 | C63 | 120.7° | 120.0° |
N | C61 | O62 | 120.6° | 120.0° |
O | C | N64 | 123.4° | 120.0° |
C | N64 | HN64 | 109.3° | 120.0° |
C | N64 | HN6A | 125.4° | 120.0° |
O38 | C39 | C40 | 108.9° | 109.5° |
O38 | C39 | H39 | 109.7° | 109.5° |
O38 | C39 | H39A | 109.8° | 109.5° |
C41 | C40 | C39 | 112.5° | 109.9° |
C41 | C40 | O60 | 107.8° | 107.3° |
C41 | C40 | H40 | 107.5° | 110.0° |
C40 | C41 | C47 | 103.0° | 104.2° |
C40 | C41 | O42 | 107.1° | 110.5° |
C40 | C41 | H41 | 115.1° | 110.5° |
C39 | C40 | O60 | 106.0° | 109.8° |
C39 | C40 | H40 | 109.3° | 109.9° |
C40 | C39 | H39 | 109.7° | 109.5° |
C40 | C39 | H39A | 109.8° | 109.5° |
O60 | C40 | H40 | 113.9° | 109.8° |
C40 | O60 | C49 | 107.5° | 106.9° |
C47 | C41 | O42 | 109.7° | 110.5° |
C47 | C41 | H41 | 112.7° | 110.6° |
C41 | C47 | O48 | 110.4° | 111.0° |
C41 | C47 | C49 | 99.7° | 102.1° |
C41 | C47 | H47 | 114.9° | 110.9° |
O42 | C41 | H41 | 109.0° | 110.4° |
C41 | O42 | P43 | 116.9° | 123.0° |
P43 | O45 | HO45 | 109.5° | 114.0° |
O45 | P43 | O46 | 116.8° | 109.5° |
O45 | P43 | O42 | 105.1° | 109.4° |
O45 | P43 | O44 | 106.3° | 109.5° |
P43 | O46 | HO46 | 109.5° | 114.0° |
O46 | P43 | O42 | 115.8° | 109.5° |
O46 | P43 | O44 | 113.2° | 109.5° |
N50 | C54 | C53 | 107.2° | 106.0° |
N50 | C54 | N55 | 132.0° | 135.0° |
C54 | N50 | C49 | 124.6° | 126.2° |
C54 | N50 | C51 | 108.1° | 107.5° |
C53 | C54 | N55 | 120.7° | 119.0° |
C54 | C53 | N52 | 108.4° | 107.1° |
C54 | C53 | C58 | 118.8° | 118.2° |
C54 | N55 | C56 | 118.5° | 120.6° |
C61 | C63 | H63 | 109.5° | 109.5° |
C61 | C63 | H63A | 109.4° | 109.5° |
C61 | C63 | H63B | 109.5° | 109.5° |
C63 | C61 | O62 | 118.6° | 120.0° |
H63 | C63 | H63A | 109.5° | 109.4° |
H63 | C63 | H63B | 109.5° | 109.4° |
H63A | C63 | H63B | 109.5° | 109.5° |
HN64 | N64 | HN6A | 125.3° | 120.0° |
H39 | C39 | H39A | 109.0° | 109.4° |
O60 | C49 | C47 | 104.6° | 103.5° |
O60 | C49 | N50 | 108.6° | 110.6° |
O60 | C49 | H49 | 112.8° | 110.6° |
O42 | P43 | O44 | 97.4° | 109.4° |
O48 | C47 | C49 | 108.9° | 110.9° |
O48 | C47 | H47 | 106.6° | 110.8° |
C47 | O48 | HO48 | 109.5° | 114.0° |
C49 | C47 | H47 | 116.2° | 110.9° |
C47 | C49 | N50 | 108.7° | 110.6° |
C47 | C49 | H49 | 112.8° | 110.7° |
N50 | C49 | H49 | 109.1° | 110.7° |
C49 | N50 | C51 | 127.4° | 126.3° |
N50 | C51 | N52 | 109.2° | 110.0° |
N50 | C51 | H51 | 125.4° | 125.0° |
N52 | C51 | H51 | 125.4° | 125.0° |
C51 | N52 | C53 | 107.1° | 109.4° |
N52 | C53 | C58 | 132.8° | 134.7° |
C53 | C58 | N57 | 118.7° | 118.4° |
C53 | C58 | N59 | 121.0° | 120.8° |
N55 | C56 | N57 | 122.3° | 122.5° |
N55 | C56 | H56 | 118.8° | 118.7° |
N57 | C56 | H56 | 118.9° | 118.8° |
C56 | N57 | C58 | 121.0° | 121.2° |
N57 | C58 | N59 | 120.3° | 120.8° |
C58 | N59 | HN59 | 109.5° | 120.0° |
C58 | N59 | HN5A | 109.4° | 120.0° |
HN59 | N59 | HN5A | 109.5° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | P2 | O37 | O38 | 124.4° | 120.0° |
O1 | P2 | O37 | O3 | 124.9° | 120.0° |
O1 | P2 | O38 | O3 | 113.3° | 120.0° |
O1 | P2 | O3 | P4 | 164.5° | 75.0° |
O1 | P2 | O38 | C39 | 52.5° | 65.0° |
HO1 | O1 | P2 | O37 | 133.4° | 180.0° |
HO1 | O1 | P2 | O38 | 103.5° | 59.9° |
HO1 | O1 | P2 | O3 | 6.3° | 60.1° |
O37 | P2 | O38 | O3 | 117.3° | 120.0° |
O37 | P2 | O3 | P4 | 33.7° | 45.0° |
O37 | P2 | O38 | C39 | 178.1° | 55.0° |
O38 | P2 | O3 | P4 | 80.4° | 165.0° |
P2 | O38 | C39 | C40 | 140.6° | 180.0° |
P2 | O38 | C39 | H39 | 99.4° | 60.0° |
P2 | O38 | C39 | H39A | 20.3° | 60.0° |
P2 | O3 | P4 | O35 | 48.4° | 45.0° |
P2 | O3 | P4 | O5 | 66.0° | 165.0° |
P2 | O3 | P4 | O36 | 176.0° | 75.0° |
O3 | P2 | O38 | C39 | 60.8° | 175.0° |
O3 | P4 | O35 | O5 | 114.9° | 120.0° |
O3 | P4 | O35 | O36 | 119.4° | 120.0° |
O3 | P4 | O5 | O36 | 114.6° | 119.9° |
O3 | P4 | O5 | C6 | 46.1° | 175.0° |
O3 | P4 | O36 | HO36 | 169.7° | 60.0° |
O35 | P4 | O5 | O36 | 130.5° | 120.1° |
O35 | P4 | O5 | C6 | 161.0° | 55.0° |
O35 | P4 | O36 | HO36 | 49.4° | 180.0° |
P4 | O5 | C6 | C7 | 177.6° | 179.9° |
P4 | O5 | C6 | H6 | 57.6° | 60.0° |
P4 | O5 | C6 | H6A | 62.9° | 60.0° |
O5 | P4 | O36 | HO36 | 74.4° | 59.9° |
O36 | P4 | O5 | C6 | 68.5° | 65.1° |
O5 | C6 | C7 | H6 | 120.0° | 120.0° |
O5 | C6 | C7 | H6A | 119.5° | 120.0° |
O5 | C6 | H6 | H6A | 119.5° | 120.0° |
O5 | C6 | C7 | C10 | 51.2° | 180.0° |
O5 | C6 | C7 | C9 | 67.8° | 60.0° |
O5 | C6 | C7 | C8 | 172.6° | 60.0° |
C7 | C6 | H6 | H6A | 119.5° | 120.0° |
C6 | C7 | C10 | C9 | 118.6° | 119.9° |
C6 | C7 | C10 | C8 | 117.9° | 120.1° |
C6 | C7 | C9 | C8 | 117.2° | 120.0° |
C6 | C7 | C8 | H8 | 10.4° | 66.3° |
C6 | C7 | C8 | H8A | 109.7° | 173.6° |
C6 | C7 | C8 | H8B | 130.3° | 53.6° |
C6 | C7 | C9 | H9 | 124.0° | 63.4° |
C6 | C7 | C9 | H9A | 116.0° | 176.6° |
C6 | C7 | C9 | H9B | 4.0° | 56.6° |
C6 | C7 | C10 | C12 | 178.2° | 54.3° |
C6 | C7 | C10 | O11 | 56.4° | 65.7° |
C6 | C7 | C10 | H10 | 63.6° | 174.3° |
H6 | C6 | C7 | C10 | 68.8° | 59.9° |
H6 | C6 | C7 | C9 | 172.2° | 60.0° |
H6 | C6 | C7 | C8 | 52.6° | 180.0° |
H6A | C6 | C7 | C10 | 170.7° | 60.0° |
H6A | C6 | C7 | C9 | 51.7° | 180.0° |
H6A | C6 | C7 | C8 | 67.9° | 60.0° |
C10 | C7 | C9 | C8 | 124.6° | 120.0° |
C10 | C7 | C8 | H8 | 108.4° | 173.6° |
C10 | C7 | C8 | H8A | 131.6° | 53.6° |
C10 | C7 | C8 | H8B | 11.6° | 66.5° |
C10 | C7 | C9 | H9 | 5.8° | 56.6° |
C10 | C7 | C9 | H9A | 125.8° | 63.4° |
C10 | C7 | C9 | H9B | 114.2° | 176.6° |
C7 | C10 | C12 | O11 | 123.1° | 120.0° |
C7 | C10 | C12 | H10 | 116.7° | 119.9° |
C7 | C10 | O11 | H10 | 116.9° | 120.0° |
C7 | C10 | O11 | HO11 | 3.8° | 60.1° |
C7 | C10 | C12 | O34 | 76.1° | 111.9° |
C7 | C10 | C12 | N13 | 105.0° | 68.1° |
C9 | C7 | C8 | H8 | 128.8° | 53.6° |
C9 | C7 | C8 | H8A | 8.7° | 66.4° |
C9 | C7 | C8 | H8B | 111.3° | 173.6° |
C7 | C9 | H9 | H9A | 120.0° | 120.0° |
C7 | C9 | H9 | H9B | 120.0° | 120.0° |
C7 | C9 | H9A | H9B | 120.0° | 120.0° |
C9 | C7 | C10 | C12 | 63.2° | 174.3° |
C9 | C7 | C10 | O11 | 175.0° | 54.2° |
C9 | C7 | C10 | H10 | 54.9° | 65.8° |
C7 | C8 | H8 | H8A | 120.0° | 120.1° |
C7 | C8 | H8 | H8B | 120.0° | 119.9° |
C7 | C8 | H8A | H8B | 120.0° | 120.0° |
C8 | C7 | C9 | H9 | 118.8° | 176.6° |
C8 | C7 | C9 | H9A | 1.2° | 56.6° |
C8 | C7 | C9 | H9B | 121.2° | 63.4° |
C8 | C7 | C10 | C12 | 60.3° | 65.7° |
C8 | C7 | C10 | O11 | 61.5° | 174.2° |
C8 | C7 | C10 | H10 | 178.5° | 54.2° |
H8 | C8 | H8A | H8B | 120.0° | 120.0° |
H9 | C9 | H9A | H9B | 120.0° | 120.0° |
C12 | C10 | O11 | H10 | 118.4° | 120.0° |
C12 | C10 | O11 | HO11 | 128.5° | 59.9° |
C10 | C12 | O34 | N13 | 178.7° | 180.0° |
C10 | C12 | N13 | C14 | 177.0° | 175.6° |
C10 | C12 | N13 | HN13 | 3.0° | 4.5° |
O11 | C10 | C12 | O34 | 160.8° | 8.1° |
O11 | C10 | C12 | N13 | 18.1° | 171.9° |
H10 | C10 | O11 | HO11 | 113.1° | 180.0° |
H10 | C10 | C12 | O34 | 40.6° | 128.2° |
H10 | C10 | C12 | N13 | 138.2° | 51.9° |
O34 | C12 | N13 | C14 | 1.8° | 4.4° |
O34 | C12 | N13 | HN13 | 178.2° | 175.6° |
C12 | N13 | C14 | HN13 | 180.0° | 179.9° |
C12 | N13 | C14 | C15 | 78.9° | 180.0° |
C12 | N13 | C14 | H14 | 41.1° | 60.0° |
C12 | N13 | C14 | H14A | 161.0° | 60.0° |
N13 | C14 | C15 | H14 | 120.0° | 120.0° |
N13 | C14 | C15 | H14A | 120.1° | 120.0° |
N13 | C14 | H14 | H14A | 120.1° | 120.0° |
N13 | C14 | C15 | C16 | 60.5° | 180.0° |
N13 | C14 | C15 | H15 | 59.5° | 60.0° |
N13 | C14 | C15 | H15A | 179.1° | 60.0° |
HN13 | N13 | C14 | C15 | 101.2° | 0.0° |
HN13 | N13 | C14 | H14 | 138.8° | 120.0° |
HN13 | N13 | C14 | H14A | 19.0° | 120.0° |
C15 | C14 | H14 | H14A | 120.1° | 120.0° |
C14 | C15 | C16 | H15 | 120.0° | 120.0° |
C14 | C15 | C16 | H15A | 118.6° | 120.0° |
C14 | C15 | H15 | H15A | 118.7° | 120.0° |
C14 | C15 | C16 | N17 | 169.1° | 180.0° |
C14 | C15 | C16 | O33 | 13.7° | 0.0° |
H14 | C14 | C15 | C16 | 179.5° | 60.0° |
H14 | C14 | C15 | H15 | 60.5° | 180.0° |
H14 | C14 | C15 | H15A | 60.9° | 60.0° |
H14A | C14 | C15 | C16 | 59.6° | 60.0° |
H14A | C14 | C15 | H15 | 179.6° | 60.0° |
H14A | C14 | C15 | H15A | 59.0° | NaN° |
C16 | C15 | H15 | H15A | 118.7° | 120.0° |
C15 | C16 | N17 | O33 | 177.3° | 180.0° |
C15 | C16 | N17 | C18 | 174.7° | 180.0° |
C15 | C16 | N17 | HN17 | 5.3° | 0.0° |
H15 | C15 | C16 | N17 | 49.0° | 60.0° |
H15 | C15 | C16 | O33 | 133.7° | 120.0° |
H15A | C15 | C16 | N17 | 72.4° | 60.0° |
H15A | C15 | C16 | O33 | 104.9° | 120.0° |
C16 | N17 | C18 | HN17 | 180.0° | 180.0° |
C16 | N17 | C18 | C19 | 130.8° | 180.0° |
C16 | N17 | C18 | H18 | 109.2° | 60.0° |
C16 | N17 | C18 | H18A | 12.7° | 60.0° |
O33 | C16 | N17 | C18 | 2.6° | 0.0° |
O33 | C16 | N17 | HN17 | 177.4° | 180.0° |
N17 | C18 | C19 | H18 | 120.0° | 120.0° |
N17 | C18 | C19 | H18A | 118.1° | 120.0° |
N17 | C18 | H18 | H18A | 118.3° | 120.0° |
N17 | C18 | C19 | S20 | 165.4° | 180.0° |
N17 | C18 | C19 | H19 | 74.6° | 60.0° |
N17 | C18 | C19 | H19A | 43.2° | 60.0° |
HN17 | N17 | C18 | C19 | 49.2° | 0.0° |
HN17 | N17 | C18 | H18 | 70.8° | 120.0° |
HN17 | N17 | C18 | H18A | 167.4° | 120.0° |
C19 | C18 | H18 | H18A | 118.3° | 120.0° |
C18 | C19 | S20 | H19 | 120.0° | 120.0° |
C18 | C19 | S20 | H19A | 122.2° | 120.0° |
C18 | C19 | H19 | H19A | 122.4° | 120.0° |
C18 | C19 | S20 | C21 | 117.1° | 180.0° |
H18 | C18 | C19 | S20 | 45.4° | 60.0° |
H18 | C18 | C19 | H19 | 165.4° | 180.0° |
H18 | C18 | C19 | H19A | 76.8° | 60.0° |
H18A | C18 | C19 | S20 | 76.5° | 60.0° |
H18A | C18 | C19 | H19 | 43.5° | 60.0° |
H18A | C18 | C19 | H19A | 161.3° | 180.0° |
S20 | C19 | H19 | H19A | 122.5° | 120.0° |
C19 | S20 | C21 | C22 | 79.7° | 180.0° |
C19 | S20 | C21 | H21 | 160.3° | 60.1° |
C19 | S20 | C21 | H21A | 40.9° | 60.0° |
H19 | C19 | S20 | C21 | 122.9° | 60.0° |
H19A | C19 | S20 | C21 | 5.1° | 60.0° |
S20 | C21 | C22 | H21 | 120.0° | 120.0° |
S20 | C21 | C22 | H21A | 120.6° | 120.0° |
S20 | C21 | H21 | H21A | 120.6° | 120.1° |
S20 | C21 | C22 | O32 | 94.2° | 0.0° |
S20 | C21 | C22 | NZ | 84.1° | 180.0° |
C22 | C21 | H21 | H21A | 120.6° | 120.0° |
C21 | C22 | O32 | NZ | 178.1° | 180.0° |
C21 | C22 | NZ | CE | 179.2° | 180.0° |
C21 | C22 | NZ | HNZ | 0.8° | 0.0° |
H21 | C21 | C22 | O32 | 145.8° | 120.0° |
H21 | C21 | C22 | NZ | 35.9° | 60.0° |
H21A | C21 | C22 | O32 | 26.4° | 120.0° |
H21A | C21 | C22 | NZ | 155.3° | 60.0° |
O32 | C22 | NZ | CE | 1.0° | 0.0° |
O32 | C22 | NZ | HNZ | 179.0° | 180.0° |
C22 | NZ | CE | HNZ | 180.0° | 180.0° |
C22 | NZ | CE | CD | 164.4° | 180.0° |
C22 | NZ | CE | HE | 75.6° | 60.0° |
C22 | NZ | CE | HEA | 44.5° | 60.0° |
NZ | CE | CD | HE | 120.0° | 120.0° |
NZ | CE | CD | HEA | 119.9° | 120.1° |
NZ | CE | HE | HEA | 119.9° | 120.0° |
NZ | CE | CD | CG | 173.3° | 180.0° |
NZ | CE | CD | HD | 53.3° | 60.0° |
NZ | CE | CD | HDA | 65.8° | 60.0° |
HNZ | NZ | CE | CD | 15.6° | 0.0° |
HNZ | NZ | CE | HE | 104.4° | 120.0° |
HNZ | NZ | CE | HEA | 135.5° | 120.0° |
CD | CE | HE | HEA | 120.0° | 119.9° |
CE | CD | CG | HD | 120.0° | 120.0° |
CE | CD | CG | HDA | 120.9° | 120.0° |
CE | CD | HD | HDA | 120.9° | 120.0° |
CE | CD | CG | CB | 169.1° | 180.0° |
CE | CD | CG | HG | 70.9° | 60.0° |
CE | CD | CG | HGA | 49.0° | 60.0° |
HE | CE | CD | CG | 66.7° | 60.0° |
HE | CE | CD | HD | 173.3° | 180.0° |
HE | CE | CD | HDA | 54.2° | 60.0° |
HEA | CE | CD | CG | 53.4° | 59.9° |
HEA | CE | CD | HD | 66.6° | 60.1° |
HEA | CE | CD | HDA | 174.3° | 180.0° |
CG | CD | HD | HDA | 120.9° | 120.0° |
CD | CG | CB | HG | 120.0° | 119.9° |
CD | CG | CB | HGA | 120.1° | 120.0° |
CD | CG | HG | HGA | 120.1° | 120.0° |
CD | CG | CB | CA | 145.4° | 180.0° |
CD | CG | CB | HB | 25.4° | 60.1° |
CD | CG | CB | HBA | 95.5° | 60.0° |
HD | CD | CG | CB | 49.1° | 60.0° |
HD | CD | CG | HG | 169.1° | 180.0° |
HD | CD | CG | HGA | 71.0° | 60.1° |
HDA | CD | CG | CB | 70.0° | 60.0° |
HDA | CD | CG | HG | 50.0° | 60.0° |
HDA | CD | CG | HGA | 169.9° | 180.0° |
CB | CG | HG | HGA | 120.1° | 120.1° |
CG | CB | CA | HB | 120.0° | 120.0° |
CG | CB | CA | HBA | 119.1° | 120.1° |
CG | CB | HB | HBA | 119.2° | 120.1° |
CG | CB | CA | C | 45.4° | 175.0° |
CG | CB | CA | N | 178.4° | 65.0° |
CG | CB | CA | HA | 66.8° | 55.0° |
HG | CG | CB | CA | 94.6° | 60.0° |
HG | CG | CB | HB | 145.4° | 180.0° |
HG | CG | CB | HBA | 24.5° | 59.9° |
HGA | CG | CB | CA | 25.3° | 60.0° |
HGA | CG | CB | HB | 94.7° | 59.9° |
HGA | CG | CB | HBA | 144.4° | NaN° |
CA | CB | HB | HBA | 119.1° | 119.9° |
CB | CA | C | N | 131.7° | 120.0° |
CB | CA | C | HA | 114.3° | 120.0° |
CB | CA | N | HA | 114.9° | 120.0° |
CB | CA | N | C61 | 101.2° | 155.0° |
CB | CA | N | HN | 78.8° | 25.0° |
CB | CA | C | O | 144.7° | 120.0° |
CB | CA | C | N64 | 35.2° | 60.0° |
HB | CB | CA | C | 165.4° | 65.0° |
HB | CB | CA | N | 61.6° | 55.0° |
HB | CB | CA | HA | 53.2° | 175.0° |
HBA | CB | CA | C | 73.7° | 55.0° |
HBA | CB | CA | N | 59.3° | 175.0° |
HBA | CB | CA | HA | 174.1° | 65.1° |
C | CA | N | HA | 112.2° | 120.0° |
C | CA | N | C61 | 31.7° | 85.0° |
C | CA | N | HN | 148.3° | 95.0° |
CA | C | O | N64 | 179.9° | 180.0° |
CA | C | N64 | HN64 | 0.0° | 0.0° |
CA | C | N64 | HN6A | 179.9° | 179.9° |
CA | N | C61 | HN | 180.0° | 180.0° |
N | CA | C | O | 83.6° | 0.0° |
N | CA | C | N64 | 96.5° | 180.0° |
CA | N | C61 | C63 | 2.1° | 180.0° |
CA | N | C61 | O62 | 178.7° | 0.0° |
HA | CA | N | C61 | 143.8° | 35.0° |
HA | CA | N | HN | 36.2° | 145.0° |
HA | CA | C | O | 30.4° | 120.0° |
HA | CA | C | N64 | 149.5° | 60.1° |
N | C61 | C63 | O62 | 179.2° | 180.0° |
N | C61 | C63 | H63 | 127.5° | 60.0° |
N | C61 | C63 | H63A | 7.5° | 179.9° |
N | C61 | C63 | H63B | 112.5° | 60.0° |
HN | N | C61 | C63 | 177.9° | 0.0° |
HN | N | C61 | O62 | 1.3° | 180.0° |
O | C | N64 | HN64 | 179.9° | 180.0° |
O | C | N64 | HN6A | 0.0° | 0.0° |
C | N64 | HN64 | HN6A | 180.0° | 179.9° |
O38 | C39 | C40 | C41 | 56.2° | 175.7° |
O38 | C39 | C40 | H39 | 120.0° | 120.0° |
O38 | C39 | C40 | H39A | 120.3° | 120.0° |
O38 | C39 | C40 | O60 | 61.4° | 66.4° |
O38 | C39 | C40 | H40 | 175.5° | 54.5° |
O38 | C39 | H39 | H39A | 120.2° | 120.0° |
C41 | C40 | C39 | O60 | 117.6° | 117.8° |
C41 | C40 | C39 | H40 | 119.3° | 121.2° |
C41 | C40 | O60 | H40 | 119.2° | 119.6° |
C40 | C41 | C47 | O42 | 113.7° | 118.7° |
C40 | C41 | C47 | H41 | 124.6° | 118.8° |
C40 | C41 | O42 | H41 | 125.1° | 122.5° |
C41 | C40 | C39 | H39 | 63.8° | 64.2° |
C41 | C40 | C39 | H39A | 176.4° | 55.7° |
C41 | C40 | O60 | C49 | 7.6° | 26.5° |
C40 | C41 | O42 | P43 | 93.2° | 120.0° |
C40 | C41 | C47 | O48 | 150.1° | 139.1° |
C40 | C41 | C47 | C49 | 35.6° | 20.9° |
C40 | C41 | C47 | H47 | 89.4° | 97.3° |
C39 | C40 | O60 | H40 | 120.1° | 121.0° |
C39 | C40 | C41 | C47 | 97.3° | 121.5° |
C39 | C40 | C41 | O42 | 147.0° | 119.9° |
C39 | C40 | C41 | H41 | 25.7° | 2.6° |
C40 | C39 | H39 | H39A | 120.3° | 120.0° |
C39 | C40 | O60 | C49 | 128.3° | 146.0° |
O60 | C40 | C41 | C47 | 19.2° | 2.1° |
O60 | C40 | C41 | O42 | 96.5° | 120.7° |
O60 | C40 | C41 | H41 | 142.2° | 116.8° |
O60 | C40 | C39 | H39 | 178.6° | 53.6° |
O60 | C40 | C39 | H39A | 58.9° | 173.6° |
C40 | O60 | C49 | C47 | 31.0° | 40.1° |
C40 | O60 | C49 | N50 | 146.9° | 158.6° |
C40 | O60 | C49 | H49 | 92.0° | 78.5° |
H40 | C40 | C41 | C47 | 142.3° | 117.4° |
H40 | C40 | C41 | O42 | 26.7° | 1.3° |
H40 | C40 | C41 | H41 | 94.6° | 123.8° |
H40 | C40 | C39 | H39 | 55.5° | 174.5° |
H40 | C40 | C39 | H39A | 64.2° | 65.5° |
H40 | C40 | O60 | C49 | 111.6° | 93.1° |
C47 | C41 | O42 | H41 | 123.8° | 122.7° |
C41 | C47 | C49 | O60 | 41.7° | 37.0° |
C47 | C41 | O42 | P43 | 155.7° | 125.2° |
C41 | C47 | O48 | C49 | 108.5° | 112.7° |
C41 | C47 | O48 | H47 | 125.4° | 123.6° |
C41 | C47 | C49 | H47 | 124.1° | 118.2° |
C41 | C47 | O48 | HO48 | 122.8° | 180.0° |
C41 | C47 | C49 | N50 | 157.6° | 155.5° |
C41 | C47 | C49 | H49 | 81.3° | 81.5° |
C41 | O42 | P43 | O45 | 169.6° | 175.0° |
C41 | O42 | P43 | O46 | 39.1° | 65.0° |
C41 | O42 | P43 | O44 | 81.2° | 55.0° |
O42 | C41 | C47 | O48 | 36.4° | 20.4° |
O42 | C41 | C47 | C49 | 78.1° | 97.8° |
O42 | C41 | C47 | H47 | 156.9° | 144.0° |
H41 | C41 | O42 | P43 | 31.9° | 2.5° |
H41 | C41 | C47 | O48 | 85.3° | 102.1° |
H41 | C41 | C47 | C49 | 160.2° | 139.6° |
H41 | C41 | C47 | H47 | 35.2° | 21.4° |
O45 | P43 | O46 | O42 | 124.7° | 120.0° |
O45 | P43 | O46 | O44 | 124.1° | 120.0° |
O45 | P43 | O46 | HO46 | 112.5° | 60.0° |
O45 | P43 | O42 | O44 | 109.2° | 119.9° |
HO45 | O45 | P43 | O46 | 116.6° | 60.0° |
HO45 | O45 | P43 | O42 | 113.5° | 180.0° |
HO45 | O45 | P43 | O44 | 11.0° | 60.1° |
O46 | P43 | O42 | O44 | 120.3° | 120.0° |
HO46 | O46 | P43 | O42 | 122.9° | 60.0° |
HO46 | O46 | P43 | O44 | 11.6° | 180.0° |
N50 | C54 | C53 | N55 | 177.3° | 179.7° |
C54 | N50 | C49 | O60 | 117.6° | 161.0° |
C54 | N50 | C49 | C47 | 129.1° | 85.0° |
C54 | N50 | C49 | C51 | 179.5° | 179.9° |
C54 | N50 | C49 | H49 | 5.8° | 38.1° |
C54 | N50 | C51 | N52 | 0.9° | 0.1° |
C54 | N50 | C51 | H51 | 179.1° | 180.0° |
N50 | C54 | C53 | N52 | 1.4° | 0.5° |
N50 | C54 | C53 | C58 | 179.5° | 179.9° |
N50 | C54 | N55 | C56 | 178.7° | 179.9° |
C53 | C54 | N50 | C49 | 178.2° | 179.8° |
C53 | C54 | N50 | C51 | 1.4° | 0.3° |
C54 | C53 | N52 | C51 | 0.8° | 0.4° |
C54 | C53 | N52 | C58 | 178.9° | 179.6° |
C53 | C54 | N55 | C56 | 2.1° | 0.3° |
C54 | C53 | C58 | N57 | 1.0° | 0.3° |
C54 | C53 | C58 | N59 | 180.0° | 179.5° |
N55 | C54 | N50 | C49 | 1.3° | 0.1° |
N55 | C54 | N50 | C51 | 178.3° | 180.0° |
N55 | C54 | C53 | N52 | 178.7° | 179.8° |
N55 | C54 | C53 | C58 | 2.2° | 0.2° |
C54 | N55 | C56 | N57 | 0.9° | 0.0° |
C54 | N55 | C56 | H56 | 179.1° | 180.0° |
C61 | C63 | H63 | H63A | 120.0° | 120.0° |
C61 | C63 | H63 | H63B | 120.0° | 119.9° |
C61 | C63 | H63A | H63B | 120.0° | 120.0° |
H63 | C63 | H63A | H63B | 120.0° | 120.0° |
H63 | C63 | C61 | O62 | 51.8° | 120.0° |
H63A | C63 | C61 | O62 | 171.8° | 0.0° |
H63B | C63 | C61 | O62 | 68.3° | 120.1° |
O60 | C49 | C47 | O48 | 157.3° | 155.3° |
O60 | C49 | C47 | N50 | 115.9° | 118.5° |
O60 | C49 | C47 | H49 | 123.0° | 118.5° |
O60 | C49 | C47 | H47 | 82.4° | 81.2° |
O60 | C49 | N50 | H49 | 123.4° | 122.9° |
O60 | C49 | N50 | C51 | 62.9° | 19.1° |
O48 | C47 | C49 | H47 | 120.3° | 123.6° |
O48 | C47 | C49 | N50 | 86.8° | 86.3° |
O48 | C47 | C49 | H49 | 34.3° | 36.7° |
C49 | C47 | O48 | HO48 | 14.3° | 67.3° |
C47 | C49 | N50 | H49 | 123.3° | 123.0° |
C47 | C49 | N50 | C51 | 50.4° | 94.9° |
H47 | C47 | O48 | HO48 | 111.8° | 56.4° |
H47 | C47 | C49 | N50 | 33.5° | 37.3° |
H47 | C47 | C49 | H49 | 154.6° | 160.3° |
C49 | N50 | C51 | N52 | 178.6° | 180.0° |
C49 | N50 | C51 | H51 | 1.4° | 0.1° |
H49 | C49 | N50 | C51 | 173.7° | 142.1° |
N50 | C51 | N52 | H51 | 180.0° | 179.9° |
N50 | C51 | N52 | C53 | 0.1° | 0.2° |
C51 | N52 | C53 | C58 | 179.7° | 180.0° |
H51 | C51 | N52 | C53 | 179.9° | 179.7° |
N52 | C53 | C58 | N57 | 179.8° | 179.3° |
N52 | C53 | C58 | N59 | 1.1° | 0.0° |
C53 | C58 | N57 | C56 | 0.2° | 0.6° |
C53 | C58 | N57 | N59 | 179.0° | 179.2° |
C53 | C58 | N59 | HN59 | 110.6° | 0.0° |
C53 | C58 | N59 | HN5A | 9.4° | 180.0° |
N55 | C56 | N57 | H56 | 180.0° | 179.9° |
N55 | C56 | N57 | C58 | 0.2° | 0.5° |
C56 | N57 | C58 | N59 | 178.9° | 179.9° |
H56 | C56 | N57 | C58 | 179.8° | 179.5° |
N57 | C58 | N59 | HN59 | 70.4° | 179.2° |
N57 | C58 | N59 | HN5A | 169.6° | 0.8° |
C58 | N59 | HN59 | HN5A | 120.0° | 180.0° |