LYX
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O1 | P2 | doub | 1.50Å | 1.48Å | |
P2 | O3 | sing | 1.62Å | 1.50Å | |
P2 | O38 | sing | 1.62Å | 1.49Å | |
P2 | O39 | sing | 1.62Å | 1.62Å | |
O3 | P4 | sing | 1.62Å | 1.62Å | |
P4 | O5 | sing | 1.61Å | 1.64Å | |
P4 | O36 | doub | 1.50Å | 1.49Å | |
P4 | O37 | sing | 1.62Å | 1.49Å | |
O5 | C6 | sing | 1.42Å | 1.43Å | |
C6 | C7 | sing | 1.55Å | 1.60Å | |
C6 | H61 | sing | 1.09Å | 1.12Å | |
C6 | H62 | sing | 1.10Å | 1.12Å | |
C7 | C8 | sing | 1.55Å | 1.58Å | |
C7 | C9 | sing | 1.54Å | 1.56Å | |
C7 | C10 | sing | 1.56Å | 1.65Å | |
C8 | H81 | sing | 1.10Å | 1.11Å | |
C8 | H82 | sing | 1.10Å | 1.11Å | |
C8 | H83 | sing | 1.09Å | 1.12Å | |
C9 | H91 | sing | 1.10Å | 1.12Å | |
C9 | H92 | sing | 1.10Å | 1.11Å | |
C9 | H93 | sing | 1.09Å | 1.12Å | |
C10 | O11 | sing | 1.43Å | 1.45Å | |
C10 | C12 | sing | 1.53Å | 1.55Å | |
C10 | H10 | sing | 1.10Å | 1.12Å | |
O11 | H11 | sing | 0.97Å | 0.95Å | |
C12 | N13 | sing | 1.39Å | 1.32Å | |
C12 | O35 | doub | 1.23Å | 1.34Å | |
N13 | C14 | sing | 1.44Å | 1.48Å | |
N13 | H13 | sing | 1.01Å | 1.02Å | |
C14 | C15 | sing | 1.52Å | 1.51Å | |
C14 | H141 | sing | 1.10Å | 1.12Å | |
C14 | H142 | sing | 1.10Å | 1.11Å | |
C15 | C16 | sing | 1.52Å | 1.50Å | |
C15 | H151 | sing | 1.10Å | 1.11Å | |
C15 | H152 | sing | 1.10Å | 1.12Å | |
C16 | N17 | sing | 1.39Å | 1.31Å | |
C16 | O34 | doub | 1.23Å | 1.29Å | |
N17 | C18 | sing | 1.44Å | 1.52Å | |
N17 | H17 | sing | 1.02Å | 1.02Å | |
C18 | C19 | sing | 1.52Å | 1.54Å | |
C18 | H181 | sing | 1.10Å | 1.11Å | |
C18 | H182 | sing | 1.10Å | 1.11Å | |
C19 | S20 | sing | 1.82Å | 1.88Å | |
C19 | H191 | sing | 1.10Å | 1.11Å | |
C19 | H192 | sing | 1.09Å | 1.11Å | |
S20 | C21 | sing | 1.81Å | 1.73Å | |
C21 | C22 | sing | 1.52Å | 1.57Å | |
C21 | C23 | sing | 1.52Å | 1.51Å | |
C21 | H211 | sing | 1.10Å | 1.12Å | |
C22 | H221 | sing | 1.10Å | 1.12Å | |
C22 | H222 | sing | 1.10Å | 1.11Å | |
C22 | H223 | sing | 1.10Å | 1.11Å | |
C23 | NZ | sing | 1.39Å | 1.30Å | |
C23 | O33 | doub | 1.23Å | 1.21Å | |
NZ | CE | sing | 1.44Å | 1.44Å | |
NZ | HZ | sing | 1.01Å | 1.02Å | |
CE | CD | sing | 1.53Å | 1.45Å | |
CE | HE3 | sing | 1.10Å | 1.11Å | |
CE | HE2 | sing | 1.10Å | 1.11Å | |
CD | CG | sing | 1.53Å | 1.41Å | |
CD | HD3 | sing | 1.10Å | 1.11Å | |
CD | HD2 | sing | 1.10Å | 1.12Å | |
CG | CB | sing | 1.53Å | 1.43Å | |
CG | HG3 | sing | 1.10Å | 1.12Å | |
CG | HG2 | sing | 1.10Å | 1.11Å | |
CB | CA | sing | 1.53Å | 1.45Å | |
CB | HB3 | sing | 1.10Å | 1.12Å | |
CB | HB2 | sing | 1.10Å | 1.11Å | |
CA | N | sing | 1.44Å | 1.45Å | |
CA | C | sing | 1.52Å | 1.40Å | |
CA | HA | sing | 1.09Å | 1.12Å | |
N | H | sing | 1.01Å | 1.02Å | |
N | H2 | sing | 1.01Å | 1.02Å | |
C | O | doub | 1.22Å | 1.25Å | |
C | OXT | sing | 1.36Å | 29.03Å | |
O37 | H37 | sing | 0.98Å | 0.95Å | |
O38 | H38 | sing | 0.98Å | 0.95Å | |
O39 | C40 | sing | 1.42Å | 1.46Å | |
C40 | C41 | sing | 1.52Å | 1.54Å | |
C40 | H401 | sing | 1.09Å | 1.12Å | |
C40 | H402 | sing | 1.09Å | 1.12Å | |
C41 | C42 | sing | 1.52Å | 1.51Å | |
C41 | O61 | sing | 1.44Å | 1.52Å | |
C41 | H41 | sing | 1.10Å | 1.12Å | |
C42 | O43 | sing | 1.41Å | 1.41Å | |
C42 | C48 | sing | 1.52Å | 1.37Å | |
C42 | H42 | sing | 1.10Å | 1.11Å | |
O43 | P44 | sing | 1.61Å | 1.70Å | |
P44 | O45 | doub | 1.50Å | 1.60Å | |
P44 | O46 | sing | 1.62Å | 1.60Å | |
P44 | O47 | sing | 1.62Å | 1.59Å | |
O46 | H46 | sing | 0.98Å | 0.95Å | |
O47 | H47 | sing | 0.98Å | 0.95Å | |
C48 | O49 | sing | 1.43Å | 1.43Å | |
C48 | C50 | sing | 1.53Å | 1.55Å | |
C48 | H48 | sing | 1.09Å | 1.11Å | |
O49 | H49 | sing | 0.97Å | 0.95Å | |
C50 | N51 | sing | 1.46Å | 1.50Å | |
C50 | O61 | sing | 1.44Å | 1.54Å | |
C50 | H50 | sing | 1.09Å | 1.12Å | |
N51 | C52 | sing | 1.37Å | 1.40Å | Aromatic |
N51 | C55 | sing | 1.37Å | 1.39Å | Aromatic |
C52 | N53 | doub | 1.32Å | 1.36Å | Aromatic |
C52 | H52 | sing | 1.08Å | 1.10Å | |
N53 | C54 | sing | 1.37Å | 1.36Å | Aromatic |
C54 | C55 | doub | 1.39Å | 1.45Å | Aromatic |
C54 | C59 | sing | 1.39Å | 1.53Å | Aromatic |
C55 | N56 | sing | 1.34Å | 1.39Å | Aromatic |
N56 | C57 | doub | 1.35Å | 1.36Å | Aromatic |
C57 | N58 | sing | 1.35Å | 1.42Å | Aromatic |
C57 | H57 | sing | 1.08Å | 1.10Å | |
N58 | C59 | doub | 1.35Å | 1.43Å | Aromatic |
C59 | N60 | sing | 1.41Å | 1.30Å | |
N60 | H601 | sing | 1.00Å | 1.02Å | |
N60 | H602 | sing | 1.00Å | 1.02Å | |
OXT | HXT | sing | 0.98Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | P2 | O3 | 111.0° | 114.2° |
O1 | P2 | O38 | 115.7° | 114.4° |
O1 | P2 | O39 | 113.5° | 114.8° |
O3 | P2 | O38 | 105.2° | 103.2° |
O3 | P2 | O39 | 100.4° | 104.5° |
P2 | O3 | P4 | 132.3° | 131.0° |
O38 | P2 | O39 | 109.6° | 104.4° |
P2 | O38 | H38 | 115.8° | 118.9° |
P2 | O39 | C40 | 120.7° | 120.0° |
O3 | P4 | O5 | 99.0° | 102.8° |
O3 | P4 | O36 | 110.7° | 114.6° |
O3 | P4 | O37 | 115.7° | 103.0° |
O5 | P4 | O36 | 109.2° | 115.8° |
O5 | P4 | O37 | 112.7° | 104.0° |
P4 | O5 | C6 | 124.4° | 118.3° |
O36 | P4 | O37 | 109.1° | 115.0° |
P4 | O37 | H37 | 115.7° | 119.0° |
O5 | C6 | C7 | 110.3° | 111.1° |
O5 | C6 | H61 | 111.9° | 107.4° |
O5 | C6 | H62 | 111.9° | 107.8° |
C7 | C6 | H61 | 111.9° | 111.0° |
C7 | C6 | H62 | 111.9° | 111.1° |
C6 | C7 | C8 | 108.9° | 108.8° |
C6 | C7 | C9 | 108.4° | 109.8° |
C6 | C7 | C10 | 106.1° | 111.1° |
H61 | C6 | H62 | 98.5° | 108.3° |
C8 | C7 | C9 | 109.2° | 107.5° |
C8 | C7 | C10 | 110.8° | 108.5° |
C7 | C8 | H81 | 112.5° | 110.9° |
C7 | C8 | H82 | 108.8° | 111.7° |
C7 | C8 | H83 | 112.4° | 111.5° |
C9 | C7 | C10 | 113.2° | 111.0° |
C7 | C9 | H91 | 112.6° | 111.5° |
C7 | C9 | H92 | 108.4° | 111.1° |
C7 | C9 | H93 | 112.6° | 111.6° |
C7 | C10 | O11 | 110.7° | 109.6° |
C7 | C10 | C12 | 112.7° | 114.3° |
C7 | C10 | H10 | 105.6° | 109.9° |
H81 | C8 | H82 | 112.4° | 107.3° |
H81 | C8 | H83 | 98.0° | 107.8° |
H82 | C8 | H83 | 112.4° | 107.4° |
H91 | C9 | H92 | 112.6° | 107.3° |
H91 | C9 | H93 | 97.8° | 107.1° |
H92 | C9 | H93 | 112.6° | 108.1° |
O11 | C10 | C12 | 107.0° | 106.4° |
O11 | C10 | H10 | 111.5° | 107.1° |
C10 | O11 | H11 | 110.7° | 106.5° |
C12 | C10 | H10 | 109.4° | 109.3° |
C10 | C12 | N13 | 117.1° | 112.8° |
C10 | C12 | O35 | 118.9° | 122.3° |
N13 | C12 | O35 | 124.0° | 124.9° |
C12 | N13 | C14 | 125.8° | 123.0° |
C12 | N13 | H13 | 110.7° | 119.5° |
C14 | N13 | H13 | 123.6° | 117.5° |
N13 | C14 | C15 | 115.5° | 109.8° |
N13 | C14 | H141 | 110.0° | 109.3° |
N13 | C14 | H142 | 110.0° | 109.4° |
C15 | C14 | H141 | 110.0° | 110.5° |
C15 | C14 | H142 | 110.0° | 110.5° |
C14 | C15 | C16 | 113.0° | 112.5° |
C14 | C15 | H151 | 110.9° | 110.0° |
C14 | C15 | H152 | 110.9° | 110.0° |
H141 | C14 | H142 | 100.2° | 107.3° |
C16 | C15 | H151 | 110.9° | 108.4° |
C16 | C15 | H152 | 110.9° | 108.4° |
C15 | C16 | N17 | 111.8° | 111.6° |
C15 | C16 | O34 | 124.0° | 123.2° |
H151 | C15 | H152 | 99.4° | 107.4° |
N17 | C16 | O34 | 124.1° | 125.2° |
C16 | N17 | C18 | 124.4° | 122.9° |
C16 | N17 | H17 | 109.8° | 118.6° |
C18 | N17 | H17 | 125.8° | 118.5° |
N17 | C18 | C19 | 107.5° | 113.0° |
N17 | C18 | H181 | 112.9° | 106.5° |
N17 | C18 | H182 | 112.9° | 108.0° |
C19 | C18 | H181 | 112.9° | 109.3° |
C19 | C18 | H182 | 112.9° | 111.9° |
C18 | C19 | S20 | 116.2° | 112.2° |
C18 | C19 | H191 | 109.8° | 110.8° |
C18 | C19 | H192 | 109.8° | 109.5° |
H181 | C18 | H182 | 97.5° | 107.8° |
S20 | C19 | H191 | 109.8° | 108.5° |
S20 | C19 | H192 | 109.8° | 107.7° |
C19 | S20 | C21 | 107.8° | 98.2° |
H191 | C19 | H192 | 100.4° | 108.0° |
S20 | C21 | C22 | 109.1° | 109.8° |
S20 | C21 | C23 | 107.8° | 107.8° |
S20 | C21 | H211 | 112.2° | 108.6° |
C22 | C21 | C23 | 113.3° | 111.7° |
C22 | C21 | H211 | 106.5° | 109.2° |
C21 | C22 | H221 | 112.3° | 112.3° |
C21 | C22 | H222 | 109.1° | 110.2° |
C21 | C22 | H223 | 112.3° | 111.3° |
C23 | C21 | H211 | 107.9° | 109.8° |
C21 | C23 | NZ | 116.8° | 112.5° |
C21 | C23 | O33 | 123.4° | 122.7° |
H221 | C22 | H222 | 112.3° | 106.9° |
H221 | C22 | H223 | 98.1° | 108.3° |
H222 | C22 | H223 | 112.4° | 107.5° |
NZ | C23 | O33 | 119.9° | 124.8° |
C23 | NZ | CE | 123.7° | 122.6° |
C23 | NZ | HZ | 112.6° | 119.5° |
CE | NZ | HZ | 123.6° | 117.8° |
NZ | CE | CD | 111.4° | 111.9° |
NZ | CE | HE3 | 111.5° | 109.3° |
NZ | CE | HE2 | 111.5° | 109.1° |
CD | CE | HE3 | 111.5° | 110.0° |
CD | CE | HE2 | 111.5° | 109.1° |
CE | CD | CG | 110.7° | 113.0° |
CE | CD | HD3 | 111.8° | 109.2° |
CE | CD | HD2 | 111.7° | 108.4° |
HE3 | CE | HE2 | 98.9° | 107.4° |
CG | CD | HD3 | 111.7° | 110.2° |
CG | CD | HD2 | 111.8° | 109.1° |
CD | CG | CB | 101.2° | 113.2° |
CD | CG | HG3 | 115.4° | 108.9° |
CD | CG | HG2 | 115.4° | 110.2° |
HD3 | CD | HD2 | 98.7° | 106.8° |
CB | CG | HG3 | 115.4° | 108.0° |
CB | CG | HG2 | 115.4° | 109.7° |
CG | CB | CA | 102.3° | 114.7° |
CG | CB | HB3 | 114.9° | 108.0° |
CG | CB | HB2 | 115.0° | 109.0° |
HG3 | CG | HG2 | 95.0° | 106.6° |
CA | CB | HB3 | 114.9° | 109.4° |
CA | CB | HB2 | 114.9° | 109.5° |
CB | CA | N | 115.4° | 112.5° |
CB | CA | C | 109.1° | 110.2° |
CB | CA | HA | 106.8° | 112.2° |
HB3 | CB | HB2 | 95.5° | 105.9° |
N | CA | C | 112.9° | 106.5° |
N | CA | HA | 102.4° | 106.3° |
CA | N | H | 110.0° | 119.0° |
CA | N | H2 | 115.4° | 119.1° |
C | CA | HA | 109.7° | 109.0° |
CA | C | O | 123.8° | 125.3° |
CA | C | OXT | 48.2° | 111.9° |
H | N | H2 | 110.0° | 120.5° |
O | C | OXT | 102.8° | 122.8° |
C | OXT | HXT | 48.2° | 115.2° |
O39 | C40 | C41 | 107.9° | 109.1° |
O39 | C40 | H401 | 112.8° | 108.8° |
O39 | C40 | H402 | 112.8° | 108.9° |
C41 | C40 | H401 | 112.8° | 110.5° |
C41 | C40 | H402 | 112.8° | 110.5° |
C40 | C41 | C42 | 116.4° | 113.5° |
C40 | C41 | O61 | 115.9° | 109.8° |
C40 | C41 | H41 | 97.3° | 108.7° |
H401 | C40 | H402 | 97.7° | 109.1° |
C42 | C41 | O61 | 100.4° | 105.2° |
C42 | C41 | H41 | 113.6° | 111.2° |
C41 | C42 | O43 | 123.6° | 112.1° |
C41 | C42 | C48 | 118.4° | 102.3° |
C41 | C42 | H42 | 88.4° | 110.3° |
O61 | C41 | H41 | 114.2° | 108.3° |
C41 | O61 | C50 | 109.7° | 108.4° |
O43 | C42 | C48 | 87.0° | 113.5° |
O43 | C42 | H42 | 119.2° | 109.0° |
C42 | O43 | P44 | 121.5° | 118.2° |
C48 | C42 | H42 | 124.3° | 109.5° |
C42 | C48 | O49 | 133.6° | 111.2° |
C42 | C48 | C50 | 105.6° | 102.8° |
C42 | C48 | H48 | 93.0° | 112.7° |
O43 | P44 | O45 | 106.5° | 115.2° |
O43 | P44 | O46 | 108.3° | 103.9° |
O43 | P44 | O47 | 112.0° | 102.6° |
O45 | P44 | O46 | 108.6° | 115.3° |
O45 | P44 | O47 | 110.4° | 115.0° |
O46 | P44 | O47 | 110.8° | 103.3° |
P44 | O46 | H46 | 108.3° | 118.9° |
P44 | O47 | H47 | 112.0° | 118.9° |
O49 | C48 | C50 | 103.6° | 109.2° |
O49 | C48 | H48 | 95.5° | 106.9° |
C48 | O49 | H49 | 133.6° | 107.3° |
C50 | C48 | H48 | 129.3° | 114.0° |
C48 | C50 | N51 | 114.9° | 113.6° |
C48 | C50 | O61 | 105.4° | 107.6° |
C48 | C50 | H50 | 110.8° | 112.6° |
N51 | C50 | O61 | 115.0° | 109.5° |
N51 | C50 | H50 | 100.2° | 105.2° |
C50 | N51 | C52 | 129.4° | 126.1° |
C50 | N51 | C55 | 124.2° | 126.9° |
O61 | C50 | H50 | 110.7° | 108.3° |
C52 | N51 | C55 | 106.4° | 107.0° |
N51 | C52 | N53 | 113.3° | 112.2° |
N51 | C52 | H52 | 124.6° | 122.2° |
N51 | C55 | C54 | 104.1° | 105.2° |
N51 | C55 | N56 | 127.7° | 127.5° |
N53 | C52 | H52 | 122.0° | 125.6° |
C52 | N53 | C54 | 104.0° | 104.9° |
N53 | C54 | C55 | 112.2° | 110.7° |
N53 | C54 | C59 | 133.6° | 132.4° |
C55 | C54 | C59 | 114.2° | 116.9° |
C54 | C55 | N56 | 128.2° | 127.2° |
C54 | C59 | N58 | 116.0° | 119.1° |
C54 | C59 | N60 | 122.4° | 120.7° |
C55 | N56 | C57 | 114.8° | 110.5° |
N56 | C57 | N58 | 124.3° | 128.8° |
N56 | C57 | H57 | 115.6° | 115.6° |
N58 | C57 | H57 | 120.1° | 115.5° |
C57 | N58 | C59 | 122.5° | 117.5° |
N58 | C59 | N60 | 121.6° | 120.2° |
C59 | N60 | H601 | 107.6° | 119.4° |
C59 | N60 | H602 | 122.4° | 119.4° |
H601 | N60 | H602 | 107.6° | 120.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | P2 | O3 | O38 | 125.9° | 124.8° |
O1 | P2 | O3 | O39 | 120.3° | 126.2° |
O1 | P2 | O38 | O39 | 130.0° | 126.3° |
O1 | P2 | O3 | P4 | 57.6° | 59.9° |
O1 | P2 | O38 | H38 | 180.0° | 46.1° |
O1 | P2 | O39 | C40 | 61.0° | 180.0° |
O3 | P2 | O38 | O39 | 107.2° | 109.0° |
P2 | O3 | P4 | O5 | 176.2° | 173.4° |
P2 | O3 | P4 | O36 | 69.2° | 60.1° |
P2 | O3 | P4 | O37 | 55.6° | 65.6° |
O3 | P2 | O38 | H38 | 57.2° | 170.8° |
O3 | P2 | O39 | C40 | 179.4° | 54.1° |
O38 | P2 | O3 | P4 | 68.3° | 175.3° |
O38 | P2 | O39 | C40 | 70.2° | 54.0° |
O39 | P2 | O3 | P4 | 177.9° | 66.3° |
O39 | P2 | O38 | H38 | 50.0° | 80.1° |
P2 | O39 | C40 | C41 | 116.6° | 180.0° |
P2 | O39 | C40 | H401 | 118.2° | 59.4° |
P2 | O39 | C40 | H402 | 8.7° | 59.3° |
O3 | P4 | O5 | O36 | 115.8° | 125.7° |
O3 | P4 | O5 | O37 | 122.8° | 107.1° |
O3 | P4 | O36 | O37 | 128.4° | 119.1° |
O3 | P4 | O5 | C6 | 57.7° | 54.3° |
O3 | P4 | O37 | H37 | 180.0° | 173.9° |
O5 | P4 | O36 | O37 | 123.6° | 121.5° |
P4 | O5 | C6 | C7 | 137.5° | 180.0° |
P4 | O5 | C6 | H61 | 97.2° | 58.4° |
P4 | O5 | C6 | H62 | 12.3° | 58.0° |
O5 | P4 | O37 | H37 | 67.1° | 79.1° |
O36 | P4 | O5 | C6 | 58.1° | 180.0° |
O36 | P4 | O37 | H37 | 54.4° | 48.6° |
O37 | P4 | O5 | C6 | 179.5° | 52.8° |
O5 | C6 | C7 | H61 | 125.3° | 119.5° |
O5 | C6 | C7 | H62 | 125.2° | 120.0° |
O5 | C6 | H61 | H62 | 117.8° | 116.2° |
O5 | C6 | C7 | C8 | 179.7° | 60.6° |
O5 | C6 | C7 | C9 | 61.0° | 56.8° |
O5 | C6 | C7 | C10 | 61.0° | 180.0° |
C7 | C6 | H61 | H62 | 117.8° | 122.2° |
C6 | C7 | C8 | C9 | 118.2° | 118.8° |
C6 | C7 | C8 | C10 | 116.4° | 121.1° |
C6 | C7 | C9 | C10 | 117.5° | 123.3° |
C6 | C7 | C8 | H81 | 54.7° | 177.0° |
C6 | C7 | C8 | H82 | 180.0° | 63.4° |
C6 | C7 | C8 | H83 | 54.8° | 56.8° |
C6 | C7 | C9 | H91 | 54.7° | 64.9° |
C6 | C7 | C9 | H92 | 180.0° | 175.5° |
C6 | C7 | C9 | H93 | 54.7° | 54.7° |
C6 | C7 | C10 | O11 | 60.6° | 179.8° |
C6 | C7 | C10 | C12 | 179.6° | 60.4° |
C6 | C7 | C10 | H10 | 60.2° | 62.8° |
H61 | C6 | C7 | C8 | 54.4° | 180.0° |
H61 | C6 | C7 | C9 | 64.3° | 62.7° |
H61 | C6 | C7 | C10 | 173.7° | 60.5° |
H62 | C6 | C7 | C8 | 55.1° | 59.4° |
H62 | C6 | C7 | C9 | 173.8° | 176.8° |
H62 | C6 | C7 | C10 | 64.2° | 60.0° |
C8 | C7 | C9 | C10 | 124.0° | 118.6° |
C7 | C8 | H81 | H82 | 123.3° | 122.2° |
C7 | C8 | H81 | H83 | 118.4° | 122.4° |
C7 | C8 | H82 | H83 | 125.2° | 122.6° |
C8 | C7 | C9 | H91 | 173.2° | 53.2° |
C8 | C7 | C9 | H92 | 61.5° | 66.4° |
C8 | C7 | C9 | H93 | 63.7° | 172.9° |
C8 | C7 | C10 | O11 | 57.4° | 60.6° |
C8 | C7 | C10 | C12 | 62.3° | 180.0° |
C8 | C7 | C10 | H10 | 178.2° | 56.8° |
C9 | C7 | C8 | H81 | 63.5° | 64.2° |
C9 | C7 | C8 | H82 | 61.8° | 55.4° |
C9 | C7 | C8 | H83 | 173.0° | 175.6° |
C7 | C9 | H91 | H92 | 123.0° | 121.8° |
C7 | C9 | H91 | H93 | 118.5° | 122.3° |
C7 | C9 | H92 | H93 | 125.3° | 122.8° |
C9 | C7 | C10 | O11 | 179.4° | 57.3° |
C9 | C7 | C10 | C12 | 60.8° | 62.1° |
C9 | C7 | C10 | H10 | 58.6° | 174.7° |
C10 | C7 | C8 | H81 | 171.1° | 55.9° |
C10 | C7 | C8 | H82 | 63.6° | 175.5° |
C10 | C7 | C8 | H83 | 61.6° | 64.2° |
C10 | C7 | C9 | H91 | 62.8° | 171.8° |
C10 | C7 | C9 | H92 | 62.5° | 52.2° |
C10 | C7 | C9 | H93 | 172.3° | 68.5° |
C7 | C10 | O11 | C12 | 123.1° | 124.1° |
C7 | C10 | O11 | H10 | 117.3° | 119.2° |
C7 | C10 | C12 | H10 | 117.2° | 123.6° |
C7 | C10 | O11 | H11 | 180.0° | 79.9° |
C7 | C10 | C12 | N13 | 82.2° | 92.4° |
C7 | C10 | C12 | O35 | 95.5° | 86.5° |
H81 | C8 | H82 | H83 | 109.5° | 115.6° |
H91 | C9 | H92 | H93 | 109.5° | 115.2° |
O11 | C10 | C12 | H10 | 120.9° | 115.3° |
O11 | C10 | C12 | N13 | 39.7° | 146.5° |
O11 | C10 | C12 | O35 | 142.6° | 34.7° |
C12 | C10 | O11 | H11 | 56.9° | 44.1° |
C10 | C12 | N13 | O35 | 177.6° | 178.8° |
C10 | C12 | N13 | C14 | 178.4° | 178.8° |
C10 | C12 | N13 | H13 | 1.6° | 0.7° |
H10 | C10 | O11 | H11 | 62.7° | 160.9° |
H10 | C10 | C12 | N13 | 160.6° | 31.2° |
H10 | C10 | C12 | O35 | 21.7° | 149.9° |
C12 | N13 | C14 | H13 | 180.0° | 178.2° |
C12 | N13 | C14 | C15 | 66.8° | 90.0° |
C12 | N13 | C14 | H141 | 168.0° | 148.6° |
C12 | N13 | C14 | H142 | 58.5° | 31.4° |
O35 | C12 | N13 | C14 | 0.9° | 0.0° |
O35 | C12 | N13 | H13 | 179.1° | 178.2° |
N13 | C14 | C15 | H141 | 125.3° | 120.7° |
N13 | C14 | C15 | H142 | 125.3° | 120.7° |
N13 | C14 | H141 | H142 | 115.8° | 118.5° |
N13 | C14 | C15 | C16 | 59.1° | 179.4° |
N13 | C14 | C15 | H151 | 175.6° | 59.7° |
N13 | C14 | C15 | H152 | 66.1° | 58.4° |
H13 | N13 | C14 | C15 | 113.3° | 88.2° |
H13 | N13 | C14 | H141 | 12.0° | 33.2° |
H13 | N13 | C14 | H142 | 121.5° | 150.4° |
C15 | C14 | H141 | H142 | 115.8° | 120.6° |
C14 | C15 | C16 | H151 | 125.3° | 121.8° |
C14 | C15 | C16 | H152 | 125.3° | 121.9° |
C14 | C15 | H151 | H152 | 116.8° | 119.7° |
C14 | C15 | C16 | N17 | 121.9° | 180.0° |
C14 | C15 | C16 | O34 | 59.6° | 0.1° |
H141 | C14 | C15 | C16 | 66.2° | 60.0° |
H141 | C14 | C15 | H151 | 59.1° | 61.0° |
H141 | C14 | C15 | H152 | 168.6° | 179.1° |
H142 | C14 | C15 | C16 | 175.6° | 58.7° |
H142 | C14 | C15 | H151 | 50.3° | 179.6° |
H142 | C14 | C15 | H152 | 59.1° | 62.3° |
C16 | C15 | H151 | H152 | 116.8° | 116.9° |
C15 | C16 | N17 | O34 | 178.5° | 179.9° |
C15 | C16 | N17 | C18 | 179.2° | 179.9° |
C15 | C16 | N17 | H17 | 0.8° | 0.1° |
H151 | C15 | C16 | N17 | 112.8° | 58.1° |
H151 | C15 | C16 | O34 | 65.7° | 121.7° |
H152 | C15 | C16 | N17 | 3.4° | 58.1° |
H152 | C15 | C16 | O34 | 175.2° | 122.0° |
C16 | N17 | C18 | H17 | 180.0° | 179.9° |
C16 | N17 | C18 | C19 | 126.2° | 90.0° |
C16 | N17 | C18 | H181 | 108.5° | 30.1° |
C16 | N17 | C18 | H182 | 0.9° | 145.6° |
O34 | C16 | N17 | C18 | 0.6° | 0.1° |
O34 | C16 | N17 | H17 | 179.4° | 180.0° |
N17 | C18 | C19 | H181 | 125.2° | 118.5° |
N17 | C18 | C19 | H182 | 125.3° | 122.2° |
N17 | C18 | H181 | H182 | 118.8° | 115.7° |
N17 | C18 | C19 | S20 | 153.5° | 61.4° |
N17 | C18 | C19 | H191 | 28.3° | 60.0° |
N17 | C18 | C19 | H192 | 81.2° | 179.1° |
H17 | N17 | C18 | C19 | 53.8° | 90.0° |
H17 | N17 | C18 | H181 | 71.5° | 149.9° |
H17 | N17 | C18 | H182 | 179.1° | 34.3° |
C19 | C18 | H181 | H182 | 118.9° | 121.9° |
C18 | C19 | S20 | H191 | 125.3° | 122.8° |
C18 | C19 | S20 | H192 | 125.3° | 120.5° |
C18 | C19 | H191 | H192 | 115.6° | 120.0° |
C18 | C19 | S20 | C21 | 175.7° | 180.0° |
H181 | C18 | C19 | S20 | 81.2° | 179.9° |
H181 | C18 | C19 | H191 | 153.5° | 58.5° |
H181 | C18 | C19 | H192 | 44.0° | 60.6° |
H182 | C18 | C19 | S20 | 28.3° | 60.8° |
H182 | C18 | C19 | H191 | 97.0° | 177.8° |
H182 | C18 | C19 | H192 | 153.5° | 58.7° |
S20 | C19 | H191 | H192 | 115.6° | 116.4° |
C19 | S20 | C21 | C22 | 64.2° | 178.1° |
C19 | S20 | C21 | C23 | 59.2° | 60.0° |
C19 | S20 | C21 | H211 | 177.9° | 58.9° |
H191 | C19 | S20 | C21 | 50.4° | 57.2° |
H192 | C19 | S20 | C21 | 59.1° | 59.5° |
S20 | C21 | C22 | C23 | 120.1° | 119.5° |
S20 | C21 | C22 | H211 | 121.4° | 118.9° |
S20 | C21 | C23 | H211 | 121.4° | 118.1° |
S20 | C21 | C22 | H221 | 54.8° | 59.7° |
S20 | C21 | C22 | H222 | 180.0° | 178.8° |
S20 | C21 | C22 | H223 | 54.7° | 62.0° |
S20 | C21 | C23 | NZ | 58.5° | 87.3° |
S20 | C21 | C23 | O33 | 122.9° | 91.9° |
C22 | C21 | C23 | H211 | 117.7° | 121.2° |
C21 | C22 | H221 | H222 | 123.5° | 121.0° |
C21 | C22 | H221 | H223 | 118.3° | 123.4° |
C21 | C22 | H222 | H223 | 125.3° | 121.5° |
C22 | C21 | C23 | NZ | 179.3° | 152.1° |
C22 | C21 | C23 | O33 | 2.0° | 28.8° |
C23 | C21 | C22 | H221 | 65.3° | 59.8° |
C23 | C21 | C22 | H222 | 59.9° | 59.3° |
C23 | C21 | C22 | H223 | 174.8° | 178.5° |
C21 | C23 | NZ | O33 | 178.7° | 179.1° |
C21 | C23 | NZ | CE | 100.0° | 179.1° |
C21 | C23 | NZ | HZ | 80.0° | 2.1° |
H211 | C21 | C22 | H221 | 176.2° | 178.6° |
H211 | C21 | C22 | H222 | 58.6° | 62.3° |
H211 | C21 | C22 | H223 | 66.7° | 56.9° |
H211 | C21 | C23 | NZ | 62.9° | 30.9° |
H211 | C21 | C23 | O33 | 115.7° | 150.0° |
H221 | C22 | H222 | H223 | 109.5° | 116.2° |
C23 | NZ | CE | HZ | 180.0° | 177.0° |
C23 | NZ | CE | CD | 156.1° | 90.0° |
C23 | NZ | CE | HE3 | 78.6° | 147.9° |
C23 | NZ | CE | HE2 | 30.9° | 30.8° |
O33 | C23 | NZ | CE | 78.7° | 0.0° |
O33 | C23 | NZ | HZ | 101.3° | 177.0° |
NZ | CE | CD | HE3 | 125.2° | 121.7° |
NZ | CE | CD | HE2 | 125.3° | 120.8° |
NZ | CE | HE3 | HE2 | 117.4° | 118.1° |
NZ | CE | CD | CG | 76.8° | 61.7° |
NZ | CE | CD | HD3 | 158.0° | 61.3° |
NZ | CE | CD | HD2 | 48.5° | 177.3° |
HZ | NZ | CE | CD | 23.9° | 93.0° |
HZ | NZ | CE | HE3 | 101.4° | 29.1° |
HZ | NZ | CE | HE2 | 149.2° | 146.2° |
CD | CE | HE3 | HE2 | 117.4° | 118.6° |
CE | CD | CG | HD3 | 125.3° | 122.5° |
CE | CD | CG | HD2 | 125.2° | 120.6° |
CE | CD | HD3 | HD2 | 117.7° | 117.0° |
CE | CD | CG | CB | 154.1° | 177.6° |
CE | CD | CG | HG3 | 80.6° | 57.4° |
CE | CD | CG | HG2 | 28.9° | 59.1° |
HE3 | CE | CD | CG | 48.5° | 60.0° |
HE3 | CE | CD | HD3 | 76.8° | 177.0° |
HE3 | CE | CD | HD2 | 173.7° | 61.0° |
HE2 | CE | CD | CG | 158.0° | 177.5° |
HE2 | CE | CD | HD3 | 32.7° | 59.5° |
HE2 | CE | CD | HD2 | 76.8° | 56.5° |
CG | CD | HD3 | HD2 | 117.7° | 118.4° |
CD | CG | CB | HG3 | 125.3° | 120.7° |
CD | CG | CB | HG2 | 125.3° | 123.6° |
CD | CG | HG3 | HG2 | 121.2° | 118.9° |
CD | CG | CB | CA | 167.3° | 177.7° |
CD | CG | CB | HB3 | 42.1° | 60.0° |
CD | CG | CB | HB2 | 67.4° | 54.6° |
HD3 | CD | CG | CB | 28.9° | 60.0° |
HD3 | CD | CG | HG3 | 154.1° | 179.9° |
HD3 | CD | CG | HG2 | 96.4° | 63.3° |
HD2 | CD | CG | CB | 80.6° | 57.0° |
HD2 | CD | CG | HG3 | 44.7° | 63.2° |
HD2 | CD | CG | HG2 | 154.1° | 179.7° |
CB | CG | HG3 | HG2 | 121.2° | 117.8° |
CG | CB | CA | HB3 | 125.3° | 121.5° |
CG | CB | CA | HB2 | 125.3° | 122.8° |
CG | CB | HB3 | HB2 | 120.8° | 116.6° |
CG | CB | CA | N | 126.1° | 57.1° |
CG | CB | CA | C | 105.5° | 61.5° |
CG | CB | CA | HA | 13.0° | 176.9° |
HG3 | CG | CB | CA | 67.4° | 61.6° |
HG3 | CG | CB | HB3 | 167.4° | 60.7° |
HG3 | CG | CB | HB2 | 57.9° | 175.3° |
HG2 | CG | CB | CA | 42.1° | 54.2° |
HG2 | CG | CB | HB3 | 83.2° | 176.4° |
HG2 | CG | CB | HB2 | 167.3° | 69.0° |
CA | CB | HB3 | HB2 | 120.8° | 118.0° |
CB | CA | N | C | 126.5° | 120.8° |
CB | CA | N | HA | 115.6° | 123.2° |
CB | CA | C | HA | 116.7° | 123.5° |
CB | CA | N | H | 54.8° | 135.8° |
CB | CA | N | H2 | 180.0° | 57.6° |
CB | CA | C | O | 3.2° | 116.4° |
CB | CA | C | OXT | 79.3° | 61.2° |
HB3 | CB | CA | N | 0.9° | 178.6° |
HB3 | CB | CA | C | 129.3° | 60.0° |
HB3 | CB | CA | HA | 112.2° | 61.6° |
HB2 | CB | CA | N | 108.6° | 65.7° |
HB2 | CB | CA | C | 19.8° | 175.7° |
HB2 | CB | CA | HA | 138.3° | 54.1° |
N | CA | C | HA | 113.5° | 114.2° |
CA | N | H | H2 | 128.3° | 166.4° |
N | CA | C | O | 126.6° | 5.8° |
N | CA | C | OXT | 50.5° | 176.6° |
C | CA | N | H | 178.7° | 15.0° |
C | CA | N | H2 | 53.5° | 178.4° |
CA | C | O | OXT | 48.0° | 177.4° |
CA | C | OXT | HXT | 180.0° | 177.7° |
HA | CA | N | H | 60.9° | 101.1° |
HA | CA | N | H2 | 64.4° | 65.5° |
HA | CA | C | O | 119.9° | 120.1° |
HA | CA | C | OXT | 164.0° | 62.3° |
O | C | OXT | HXT | 55.9° | 0.0° |
O39 | C40 | C41 | H401 | 125.2° | 119.6° |
O39 | C40 | C41 | H402 | 125.3° | 119.6° |
O39 | C40 | H401 | H402 | 118.7° | 118.6° |
O39 | C40 | C41 | C42 | 84.0° | 179.5° |
O39 | C40 | C41 | O61 | 33.7° | 62.1° |
O39 | C40 | C41 | H41 | 155.1° | 56.2° |
C41 | C40 | H401 | H402 | 118.7° | 121.7° |
C40 | C41 | C42 | O61 | 125.9° | 120.0° |
C40 | C41 | C42 | H41 | 111.8° | 123.0° |
C40 | C41 | O61 | H41 | 111.8° | 118.5° |
C40 | C41 | C42 | O43 | 123.0° | 81.0° |
C40 | C41 | C42 | C48 | 130.3° | 157.1° |
C40 | C41 | C42 | H42 | 1.6° | 40.6° |
C40 | C41 | O61 | C50 | 133.1° | 148.9° |
H401 | C40 | C41 | C42 | 150.7° | 59.9° |
H401 | C40 | C41 | O61 | 91.5° | 57.5° |
H401 | C40 | C41 | H41 | 29.8° | 175.7° |
H402 | C40 | C41 | C42 | 41.3° | 60.9° |
H402 | C40 | C41 | O61 | 159.0° | 178.3° |
H402 | C40 | C41 | H41 | 79.6° | 63.5° |
C42 | C41 | O61 | H41 | 121.9° | 119.0° |
C41 | C42 | O43 | C48 | 122.5° | 115.3° |
C41 | C42 | O43 | H42 | 109.4° | 122.4° |
C41 | C42 | C48 | H42 | 109.2° | 117.0° |
C41 | C42 | O43 | P44 | 27.0° | 175.3° |
C41 | C42 | C48 | O49 | 127.0° | 84.0° |
C41 | C42 | C48 | C50 | 0.1° | 32.8° |
C41 | C42 | C48 | H48 | 132.4° | 156.0° |
C42 | C41 | O61 | C50 | 6.8° | 26.4° |
O61 | C41 | C42 | O43 | 111.1° | 159.0° |
O61 | C41 | C42 | C48 | 4.4° | 37.0° |
O61 | C41 | C42 | H42 | 124.3° | 79.4° |
C41 | O61 | C50 | C48 | 7.1° | 5.0° |
C41 | O61 | C50 | N51 | 134.7° | 128.9° |
C41 | O61 | C50 | H50 | 112.7° | 116.9° |
H41 | C41 | C42 | O43 | 11.2° | 42.0° |
H41 | C41 | C42 | C48 | 117.9° | 80.0° |
H41 | C41 | C42 | H42 | 113.4° | 163.6° |
H41 | C41 | O61 | C50 | 115.1° | 92.6° |
O43 | C42 | C48 | H42 | 123.8° | 122.0° |
C42 | O43 | P44 | O45 | 63.8° | 60.0° |
C42 | O43 | P44 | O46 | 179.5° | 173.0° |
C42 | O43 | P44 | O47 | 57.0° | 65.6° |
O43 | C42 | C48 | O49 | 0.0° | 37.0° |
O43 | C42 | C48 | C50 | 127.1° | 153.8° |
O43 | C42 | C48 | H48 | 100.6° | 83.1° |
C48 | C42 | O43 | P44 | 149.4° | 60.0° |
C42 | C48 | O49 | C50 | 127.8° | 112.8° |
C42 | C48 | O49 | H48 | 99.5° | 123.4° |
C42 | C48 | C50 | H48 | 107.4° | 122.3° |
C42 | C48 | O49 | H49 | 180.0° | 51.6° |
C42 | C48 | C50 | N51 | 131.9° | 103.3° |
C42 | C48 | C50 | O61 | 4.3° | 18.1° |
C42 | C48 | C50 | H50 | 115.5° | 137.3° |
H42 | C42 | O43 | P44 | 82.5° | 62.4° |
H42 | C42 | C48 | O49 | 123.7° | 159.0° |
H42 | C42 | C48 | C50 | 109.2° | 84.2° |
H42 | C42 | C48 | H48 | 23.2° | 39.0° |
O43 | P44 | O45 | O46 | 116.5° | 121.0° |
O43 | P44 | O45 | O47 | 121.8° | 118.9° |
O43 | P44 | O46 | O47 | 123.3° | 106.8° |
O43 | P44 | O46 | H46 | 180.0° | 175.8° |
O43 | P44 | O47 | H47 | 180.0° | 173.8° |
O45 | P44 | O46 | O47 | 121.5° | 126.3° |
O45 | P44 | O46 | H46 | 64.7° | 48.8° |
O45 | P44 | O47 | H47 | 61.5° | 48.0° |
O46 | P44 | O47 | H47 | 58.9° | 78.5° |
O47 | P44 | O46 | H46 | 56.8° | 77.5° |
O49 | C48 | C50 | H48 | 109.0° | 119.5° |
O49 | C48 | C50 | N51 | 84.6° | 138.5° |
O49 | C48 | C50 | O61 | 147.8° | 100.1° |
O49 | C48 | C50 | H50 | 28.1° | 19.1° |
C50 | C48 | O49 | H49 | 52.3° | 61.2° |
C48 | C50 | N51 | O61 | 122.6° | 120.3° |
C48 | C50 | N51 | H50 | 118.8° | 123.5° |
C48 | C50 | O61 | H50 | 119.8° | 121.9° |
C48 | C50 | N51 | C52 | 58.6° | 93.6° |
C48 | C50 | N51 | C55 | 120.8° | 86.4° |
H48 | C48 | O49 | H49 | 80.4° | 175.0° |
H48 | C48 | C50 | N51 | 24.5° | 19.0° |
H48 | C48 | C50 | O61 | 103.2° | 140.4° |
H48 | C48 | C50 | H50 | 137.1° | 100.4° |
N51 | C50 | O61 | H50 | 112.6° | 114.2° |
C50 | N51 | C52 | C55 | 179.5° | 180.0° |
C50 | N51 | C52 | N53 | 179.8° | 180.0° |
C50 | N51 | C52 | H52 | 0.2° | 0.1° |
C50 | N51 | C55 | C54 | 179.9° | 180.0° |
C50 | N51 | C55 | N56 | 0.6° | 0.0° |
O61 | C50 | N51 | C52 | 63.9° | 146.1° |
O61 | C50 | N51 | C55 | 116.6° | 33.9° |
H50 | C50 | N51 | C52 | 177.4° | 29.9° |
H50 | C50 | N51 | C55 | 2.0° | 150.1° |
N51 | C52 | N53 | H52 | 180.0° | 180.0° |
N51 | C52 | N53 | C54 | 0.1° | 0.0° |
C52 | N51 | C55 | C54 | 0.4° | 0.0° |
C52 | N51 | C55 | N56 | 179.8° | 180.0° |
C55 | N51 | C52 | N53 | 0.3° | 0.0° |
C55 | N51 | C52 | H52 | 179.7° | 180.0° |
N51 | C55 | C54 | N53 | 0.3° | 0.0° |
N51 | C55 | C54 | N56 | 179.5° | 180.0° |
N51 | C55 | C54 | C59 | 179.9° | 180.0° |
N51 | C55 | N56 | C57 | 179.9° | 179.9° |
C52 | N53 | C54 | C55 | 0.1° | 0.0° |
C52 | N53 | C54 | C59 | 179.8° | 180.0° |
H52 | C52 | N53 | C54 | 179.9° | 179.9° |
N53 | C54 | C55 | C59 | 179.7° | 179.9° |
N53 | C54 | C55 | N56 | 179.8° | 180.0° |
N53 | C54 | C59 | N58 | 180.0° | 179.9° |
N53 | C54 | C59 | N60 | 0.1° | 0.1° |
C54 | C55 | N56 | C57 | 0.6° | 0.0° |
C55 | C54 | C59 | N58 | 0.3° | 0.0° |
C55 | C54 | C59 | N60 | 179.8° | 180.0° |
C59 | C54 | C55 | N56 | 0.5° | 0.0° |
C54 | C59 | N58 | C57 | 0.4° | 0.0° |
C54 | C59 | N58 | N60 | 179.9° | 180.0° |
C54 | C59 | N60 | H601 | 54.7° | 65.8° |
C54 | C59 | N60 | H602 | 180.0° | 120.4° |
C55 | N56 | C57 | N58 | 0.6° | 0.1° |
C55 | N56 | C57 | H57 | 179.4° | 179.9° |
N56 | C57 | N58 | H57 | 180.0° | 179.8° |
N56 | C57 | N58 | C59 | 0.5° | 0.0° |
C57 | N58 | C59 | N60 | 179.7° | 180.0° |
H57 | C57 | N58 | C59 | 179.4° | 179.9° |
N58 | C59 | N60 | H601 | 125.4° | 114.2° |
N58 | C59 | N60 | H602 | 0.1° | 59.6° |
C59 | N60 | H601 | H602 | 133.7° | 173.7° |