NM1
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N01 | S02 | sing | 1.67Å | 1.65Å | |
N01 | C07 | sing | 1.45Å | 1.47Å | |
N01 | C08 | sing | 1.46Å | 1.40Å | |
S02 | N03 | sing | 1.67Å | 1.64Å | |
S02 | O15 | doub | 1.42Å | 1.46Å | |
S02 | O40 | doub | 1.42Å | 1.46Å | |
N03 | C04 | sing | 1.45Å | 1.48Å | |
N03 | C23 | sing | 1.47Å | 1.50Å | |
C04 | C05 | sing | 1.53Å | 1.54Å | |
C04 | C41 | sing | 1.53Å | 1.53Å | |
C04 | H04 | sing | 1.09Å | 1.12Å | |
C05 | C06 | sing | 1.48Å | 1.52Å | |
C05 | O30 | sing | 1.43Å | 1.41Å | |
C05 | H05 | sing | 1.09Å | 1.12Å | |
C06 | C07 | sing | 1.53Å | 1.54Å | |
C06 | O31 | sing | 1.43Å | 1.42Å | |
C06 | H06 | sing | 1.09Å | 1.11Å | |
C07 | C32 | sing | 1.53Å | 1.55Å | |
C07 | H07 | sing | 1.09Å | 1.11Å | |
C08 | C09 | sing | 1.51Å | 1.47Å | |
C08 | H081 | sing | 1.09Å | 1.12Å | |
C08 | H082 | sing | 1.09Å | 1.12Å | |
C09 | C10 | doub | 1.38Å | 1.41Å | Aromatic |
C09 | C14 | sing | 1.38Å | 1.43Å | Aromatic |
C10 | C11 | sing | 1.40Å | 1.42Å | Aromatic |
C10 | H10 | sing | 1.08Å | 1.10Å | |
C11 | C12 | doub | 1.40Å | 1.44Å | Aromatic |
C11 | C51 | sing | 1.48Å | 1.50Å | |
C12 | C13 | sing | 1.38Å | 1.42Å | Aromatic |
C12 | H12 | sing | 1.08Å | 1.10Å | |
C13 | C14 | doub | 1.38Å | 1.42Å | Aromatic |
C13 | H13 | sing | 1.08Å | 1.10Å | |
C14 | H14 | sing | 1.08Å | 1.10Å | |
O16 | C17 | sing | 1.36Å | 1.39Å | |
O16 | C41 | sing | 1.43Å | 1.45Å | |
C17 | C18 | doub | 1.39Å | 1.44Å | Aromatic |
C17 | C22 | sing | 1.39Å | 1.43Å | Aromatic |
C18 | C19 | sing | 1.38Å | 1.43Å | Aromatic |
C18 | H18 | sing | 1.08Å | 1.10Å | |
C19 | C20 | doub | 1.38Å | 1.43Å | Aromatic |
C19 | H19 | sing | 1.08Å | 1.10Å | |
C20 | C21 | sing | 1.38Å | 1.43Å | Aromatic |
C20 | H20 | sing | 1.08Å | 1.10Å | |
C21 | C22 | doub | 1.38Å | 1.43Å | Aromatic |
C21 | H21 | sing | 1.08Å | 1.10Å | |
C22 | H22 | sing | 1.08Å | 1.10Å | |
C23 | C24 | sing | 1.51Å | 1.51Å | |
C23 | H231 | sing | 1.09Å | 1.11Å | |
C23 | H232 | sing | 1.09Å | 1.11Å | |
C24 | C25 | doub | 1.38Å | 1.43Å | Aromatic |
C24 | C29 | sing | 1.38Å | 1.44Å | Aromatic |
C25 | C26 | sing | 1.38Å | 1.43Å | Aromatic |
C25 | H25 | sing | 1.08Å | 1.10Å | |
C26 | C27 | doub | 1.38Å | 1.44Å | Aromatic |
C26 | H26 | sing | 1.08Å | 1.10Å | |
C27 | C28 | sing | 1.38Å | 1.44Å | Aromatic |
C27 | H27 | sing | 1.08Å | 1.10Å | |
C28 | C29 | doub | 1.38Å | 1.43Å | Aromatic |
C28 | H28 | sing | 1.08Å | 1.10Å | |
C29 | H29 | sing | 1.08Å | 1.10Å | |
O30 | HO3 | sing | 0.97Å | 0.95Å | |
O31 | HO1 | sing | 0.97Å | 0.95Å | |
C32 | O33 | sing | 1.43Å | 1.45Å | |
C32 | H321 | sing | 1.09Å | 1.11Å | |
C32 | H322 | sing | 1.09Å | 1.12Å | |
O33 | C34 | sing | 1.36Å | 1.37Å | |
C34 | C35 | doub | 1.39Å | 1.44Å | Aromatic |
C34 | C39 | sing | 1.39Å | 1.43Å | Aromatic |
C35 | C36 | sing | 1.38Å | 1.43Å | Aromatic |
C35 | H35 | sing | 1.08Å | 1.10Å | |
C36 | C37 | doub | 1.38Å | 1.43Å | Aromatic |
C36 | H36 | sing | 1.08Å | 1.10Å | |
C37 | C38 | sing | 1.38Å | 1.42Å | Aromatic |
C37 | H37 | sing | 1.08Å | 1.10Å | |
C38 | C39 | doub | 1.38Å | 1.43Å | Aromatic |
C38 | H38 | sing | 1.08Å | 1.10Å | |
C39 | H39 | sing | 1.08Å | 1.10Å | |
C41 | H411 | sing | 1.09Å | 1.11Å | |
C41 | H412 | sing | 1.09Å | 1.11Å | |
C51 | O52 | doub | 1.21Å | 1.26Å | |
C51 | N53 | sing | 1.35Å | 1.38Å | |
N53 | C54 | sing | 1.47Å | 1.45Å | |
N53 | H53 | sing | 0.97Å | 1.02Å | |
C54 | H541 | sing | 1.09Å | 1.12Å | |
C54 | H542 | sing | 1.09Å | 1.11Å | |
C54 | H543 | sing | 1.09Å | 1.12Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
S02 | N01 | C07 | 127.2° | 119.5° |
S02 | N01 | C08 | 114.9° | 120.3° |
N01 | S02 | N03 | 100.4° | 106.7° |
N01 | S02 | O15 | 111.6° | 106.2° |
N01 | S02 | O40 | 108.8° | 105.6° |
C07 | N01 | C08 | 110.7° | 120.3° |
N01 | C07 | C06 | 103.4° | 111.1° |
N01 | C07 | C32 | 112.8° | 109.2° |
N01 | C07 | H07 | 117.3° | 109.1° |
N01 | C08 | C09 | 130.6° | 109.4° |
N01 | C08 | H081 | 104.9° | 109.5° |
N01 | C08 | H082 | 104.9° | 109.5° |
N03 | S02 | O15 | 110.0° | 105.8° |
N03 | S02 | O40 | 107.0° | 105.8° |
S02 | N03 | C04 | 114.4° | 119.6° |
S02 | N03 | C23 | 118.2° | 120.1° |
O15 | S02 | O40 | 117.5° | 125.5° |
C04 | N03 | C23 | 123.7° | 120.2° |
N03 | C04 | C05 | 113.3° | 111.2° |
N03 | C04 | C41 | 112.2° | 109.1° |
N03 | C04 | H04 | 105.8° | 109.2° |
N03 | C23 | C24 | 120.2° | 109.4° |
N03 | C23 | H231 | 108.3° | 109.4° |
N03 | C23 | H232 | 108.3° | 109.5° |
C05 | C04 | C41 | 112.3° | 109.1° |
C05 | C04 | H04 | 105.7° | 109.0° |
C04 | C05 | C06 | 115.5° | 113.4° |
C04 | C05 | O30 | 110.1° | 108.5° |
C04 | C05 | H05 | 103.9° | 108.8° |
C41 | C04 | H04 | 107.0° | 109.1° |
C04 | C41 | O16 | 111.1° | 109.5° |
C04 | C41 | H411 | 111.6° | 109.5° |
C04 | C41 | H412 | 111.6° | 109.5° |
C06 | C05 | O30 | 106.5° | 108.7° |
C06 | C05 | H05 | 107.6° | 108.7° |
C05 | C06 | C07 | 116.5° | 113.4° |
C05 | C06 | O31 | 107.2° | 108.6° |
C05 | C06 | H06 | 106.6° | 108.7° |
O30 | C05 | H05 | 113.4° | 108.6° |
C05 | O30 | HO3 | 110.0° | 106.8° |
C07 | C06 | O31 | 110.5° | 108.7° |
C07 | C06 | H06 | 103.0° | 108.7° |
C06 | C07 | C32 | 122.4° | 109.1° |
C06 | C07 | H07 | 106.3° | 109.1° |
O31 | C06 | H06 | 113.1° | 108.6° |
C06 | O31 | HO1 | 107.2° | 106.8° |
C32 | C07 | H07 | 95.2° | 109.2° |
C07 | C32 | O33 | 107.5° | 109.5° |
C07 | C32 | H321 | 113.0° | 109.5° |
C07 | C32 | H322 | 113.0° | 109.5° |
C09 | C08 | H081 | 104.9° | 109.4° |
C09 | C08 | H082 | 104.9° | 109.5° |
C08 | C09 | C10 | 121.0° | 119.9° |
C08 | C09 | C14 | 118.8° | 119.9° |
H081 | C08 | H082 | 104.2° | 109.6° |
C10 | C09 | C14 | 120.2° | 120.2° |
C09 | C10 | C11 | 119.7° | 119.9° |
C09 | C10 | H10 | 120.0° | 120.1° |
C09 | C14 | C13 | 120.6° | 120.3° |
C09 | C14 | H14 | 120.1° | 119.9° |
C11 | C10 | H10 | 120.3° | 120.1° |
C10 | C11 | C12 | 120.1° | 119.7° |
C10 | C11 | C51 | 119.8° | 120.2° |
C12 | C11 | C51 | 120.1° | 120.1° |
C11 | C12 | C13 | 120.2° | 119.8° |
C11 | C12 | H12 | 120.7° | 120.1° |
C11 | C51 | O52 | 118.9° | 120.0° |
C11 | C51 | N53 | 119.7° | 120.0° |
C13 | C12 | H12 | 119.1° | 120.1° |
C12 | C13 | C14 | 119.2° | 120.2° |
C12 | C13 | H13 | 120.3° | 119.9° |
C14 | C13 | H13 | 120.5° | 119.9° |
C13 | C14 | H14 | 119.3° | 119.8° |
C17 | O16 | C41 | 119.7° | 106.8° |
O16 | C17 | C18 | 121.7° | 120.0° |
O16 | C17 | C22 | 120.0° | 120.1° |
O16 | C41 | H411 | 111.6° | 109.4° |
O16 | C41 | H412 | 111.6° | 109.5° |
C18 | C17 | C22 | 118.4° | 119.9° |
C17 | C18 | C19 | 121.1° | 119.9° |
C17 | C18 | H18 | 119.9° | 120.1° |
C17 | C22 | C21 | 120.9° | 119.9° |
C17 | C22 | H22 | 119.6° | 120.0° |
C19 | C18 | H18 | 119.0° | 120.0° |
C18 | C19 | C20 | 119.5° | 120.1° |
C18 | C19 | H19 | 120.3° | 120.0° |
C20 | C19 | H19 | 120.3° | 120.0° |
C19 | C20 | C21 | 120.2° | 120.1° |
C19 | C20 | H20 | 120.0° | 120.0° |
C21 | C20 | H20 | 119.8° | 119.9° |
C20 | C21 | C22 | 120.0° | 120.1° |
C20 | C21 | H21 | 119.9° | 120.0° |
C22 | C21 | H21 | 120.1° | 120.0° |
C21 | C22 | H22 | 119.5° | 120.1° |
C24 | C23 | H231 | 108.4° | 109.4° |
C24 | C23 | H232 | 108.4° | 109.5° |
C23 | C24 | C25 | 120.2° | 120.1° |
C23 | C24 | C29 | 120.4° | 120.0° |
H231 | C23 | H232 | 101.7° | 109.5° |
C25 | C24 | C29 | 119.4° | 120.0° |
C24 | C25 | C26 | 120.3° | 120.1° |
C24 | C25 | H25 | 119.7° | 120.0° |
C24 | C29 | C28 | 120.7° | 120.0° |
C24 | C29 | H29 | 120.0° | 120.0° |
C26 | C25 | H25 | 120.0° | 119.9° |
C25 | C26 | C27 | 119.9° | 120.0° |
C25 | C26 | H26 | 119.9° | 120.1° |
C27 | C26 | H26 | 120.1° | 120.0° |
C26 | C27 | C28 | 120.1° | 120.0° |
C26 | C27 | H27 | 120.0° | 120.0° |
C28 | C27 | H27 | 120.0° | 120.0° |
C27 | C28 | C29 | 119.5° | 120.0° |
C27 | C28 | H28 | 120.4° | 119.9° |
C29 | C28 | H28 | 120.1° | 120.0° |
C28 | C29 | H29 | 119.3° | 120.0° |
O33 | C32 | H321 | 112.9° | 109.5° |
O33 | C32 | H322 | 112.9° | 109.4° |
C32 | O33 | C34 | 122.7° | 106.8° |
H321 | C32 | H322 | 97.5° | 109.5° |
O33 | C34 | C35 | 122.5° | 120.1° |
O33 | C34 | C39 | 119.2° | 120.0° |
C35 | C34 | C39 | 118.3° | 119.9° |
C34 | C35 | C36 | 120.9° | 120.0° |
C34 | C35 | H35 | 120.1° | 120.0° |
C34 | C39 | C38 | 120.9° | 120.0° |
C34 | C39 | H39 | 119.4° | 120.1° |
C36 | C35 | H35 | 118.9° | 120.0° |
C35 | C36 | C37 | 119.7° | 120.0° |
C35 | C36 | H36 | 120.1° | 120.0° |
C37 | C36 | H36 | 120.1° | 120.0° |
C36 | C37 | C38 | 120.2° | 120.1° |
C36 | C37 | H37 | 120.1° | 119.9° |
C38 | C37 | H37 | 119.7° | 119.9° |
C37 | C38 | C39 | 119.9° | 120.0° |
C37 | C38 | H38 | 119.7° | 120.0° |
C39 | C38 | H38 | 120.4° | 120.0° |
C38 | C39 | H39 | 119.7° | 120.0° |
H411 | C41 | H412 | 98.8° | 109.5° |
O52 | C51 | N53 | 121.4° | 120.1° |
C51 | N53 | C54 | 117.4° | 119.9° |
C51 | N53 | H53 | 119.1° | 120.0° |
C54 | N53 | H53 | 123.5° | 120.0° |
N53 | C54 | H541 | 117.3° | 109.4° |
N53 | C54 | H542 | 109.4° | 109.5° |
N53 | C54 | H543 | 109.4° | 109.4° |
H541 | C54 | H542 | 109.4° | 109.5° |
H541 | C54 | H543 | 109.3° | 109.5° |
H542 | C54 | H543 | 100.8° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
S02 | N01 | C07 | C08 | 148.3° | 179.6° |
N01 | S02 | N03 | O15 | 117.7° | 112.8° |
N01 | S02 | N03 | O40 | 113.5° | 112.2° |
N01 | S02 | O15 | O40 | 126.6° | 123.5° |
N01 | S02 | N03 | C04 | 74.1° | 38.9° |
N01 | S02 | N03 | C23 | 84.9° | 141.0° |
S02 | N01 | C07 | C06 | 76.1° | 87.9° |
S02 | N01 | C07 | C32 | 58.2° | 151.7° |
S02 | N01 | C07 | H07 | 167.3° | 32.5° |
S02 | N01 | C08 | C09 | 127.3° | 97.0° |
S02 | N01 | C08 | H081 | 107.4° | 143.1° |
S02 | N01 | C08 | H082 | 2.1° | 23.0° |
C07 | N01 | S02 | N03 | 59.5° | 39.6° |
C07 | N01 | S02 | O15 | 57.1° | 73.0° |
C07 | N01 | S02 | O40 | 171.6° | 151.9° |
N01 | C07 | C06 | C05 | 88.8° | 80.2° |
N01 | C07 | C06 | C32 | 128.6° | 120.4° |
N01 | C07 | C06 | H07 | 124.1° | 120.4° |
N01 | C07 | C06 | O31 | 148.6° | 40.8° |
N01 | C07 | C06 | H06 | 27.5° | 158.8° |
N01 | C07 | C32 | H07 | 122.5° | 119.2° |
C07 | N01 | C08 | C09 | 80.2° | 83.4° |
C07 | N01 | C08 | H081 | 45.1° | 36.5° |
C07 | N01 | C08 | H082 | 154.6° | 156.6° |
N01 | C07 | C32 | O33 | 65.7° | 60.0° |
N01 | C07 | C32 | H321 | 169.0° | 180.0° |
N01 | C07 | C32 | H322 | 59.6° | 59.9° |
C08 | N01 | S02 | N03 | 153.3° | 140.8° |
C08 | N01 | S02 | O15 | 90.1° | 106.7° |
C08 | N01 | S02 | O40 | 41.2° | 28.5° |
C08 | N01 | C07 | C06 | 135.7° | 92.5° |
C08 | N01 | C07 | C32 | 90.1° | 27.9° |
C08 | N01 | C07 | H07 | 19.1° | 147.2° |
N01 | C08 | C09 | H081 | 125.2° | 120.0° |
N01 | C08 | C09 | H082 | 125.3° | 120.0° |
N01 | C08 | H081 | H082 | 110.0° | 120.1° |
N01 | C08 | C09 | C10 | 126.4° | 106.4° |
N01 | C08 | C09 | C14 | 52.1° | 73.3° |
N03 | S02 | O15 | O40 | 122.8° | 123.4° |
S02 | N03 | C04 | C23 | 157.6° | 179.9° |
S02 | N03 | C04 | C05 | 93.8° | 87.5° |
S02 | N03 | C04 | C41 | 137.8° | 152.1° |
S02 | N03 | C04 | H04 | 21.5° | 32.9° |
S02 | N03 | C23 | C24 | 111.0° | 96.7° |
S02 | N03 | C23 | H231 | 123.7° | 23.2° |
S02 | N03 | C23 | H232 | 14.2° | 143.3° |
O15 | S02 | N03 | C04 | 43.7° | 151.6° |
O15 | S02 | N03 | C23 | 157.3° | 28.3° |
O40 | S02 | N03 | C04 | 172.5° | 73.3° |
O40 | S02 | N03 | C23 | 28.6° | 106.8° |
N03 | C04 | C05 | C41 | 128.4° | 120.4° |
N03 | C04 | C05 | H04 | 115.4° | 120.5° |
N03 | C04 | C41 | H04 | 115.6° | 119.3° |
N03 | C04 | C05 | C06 | 34.8° | 80.1° |
N03 | C04 | C05 | O30 | 85.9° | 40.8° |
N03 | C04 | C05 | H05 | 152.4° | 158.8° |
N03 | C04 | C41 | O16 | 128.6° | 58.4° |
C04 | N03 | C23 | C24 | 92.1° | 83.2° |
C04 | N03 | C23 | H231 | 33.1° | 156.9° |
C04 | N03 | C23 | H232 | 142.6° | 36.8° |
N03 | C04 | C41 | H411 | 106.2° | 178.3° |
N03 | C04 | C41 | H412 | 3.4° | 61.6° |
C23 | N03 | C04 | C05 | 63.9° | 92.4° |
C23 | N03 | C04 | C41 | 64.5° | 28.0° |
C23 | N03 | C04 | H04 | 179.2° | 147.2° |
N03 | C23 | C24 | H231 | 125.2° | 119.9° |
N03 | C23 | C24 | H232 | 125.2° | 120.1° |
N03 | C23 | H231 | H232 | 114.0° | 120.1° |
N03 | C23 | C24 | C25 | 73.1° | 74.7° |
N03 | C23 | C24 | C29 | 106.7° | 105.5° |
C05 | C04 | C41 | H04 | 115.5° | 119.1° |
C04 | C05 | C06 | O30 | 122.6° | 120.8° |
C04 | C05 | C06 | H05 | 115.5° | 121.1° |
C04 | C05 | O30 | H05 | 115.9° | 118.1° |
C04 | C05 | C06 | C07 | 50.0° | 66.8° |
C04 | C05 | C06 | O31 | 174.4° | 54.2° |
C04 | C05 | C06 | H06 | 64.2° | 172.2° |
C05 | C04 | C41 | O16 | 102.4° | 179.9° |
C04 | C05 | O30 | HO3 | 180.0° | 176.2° |
C05 | C04 | C41 | H411 | 22.8° | 60.0° |
C05 | C04 | C41 | H412 | 132.3° | 60.1° |
C41 | C04 | C05 | C06 | 163.1° | 159.5° |
C41 | C04 | C05 | O30 | 42.5° | 79.6° |
C41 | C04 | C05 | H05 | 79.2° | 38.4° |
C04 | C41 | O16 | C17 | 179.1° | 180.0° |
C04 | C41 | O16 | H411 | 125.3° | 120.0° |
C04 | C41 | O16 | H412 | 125.3° | 120.0° |
C04 | C41 | H411 | H412 | 117.6° | 120.0° |
H04 | C04 | C05 | C06 | 80.6° | 40.4° |
H04 | C04 | C05 | O30 | 158.7° | 161.3° |
H04 | C04 | C05 | H05 | 37.0° | 80.7° |
H04 | C04 | C41 | O16 | 13.0° | 60.9° |
H04 | C04 | C41 | H411 | 138.3° | 59.1° |
H04 | C04 | C41 | H412 | 112.2° | 179.1° |
C06 | C05 | O30 | H05 | 118.2° | 118.1° |
C05 | C06 | C07 | O31 | 122.6° | 120.9° |
C05 | C06 | C07 | H06 | 116.3° | 121.0° |
C05 | C06 | O31 | H06 | 117.2° | 118.1° |
C05 | C06 | C07 | C32 | 39.8° | 159.4° |
C05 | C06 | C07 | H07 | 147.1° | 40.2° |
C06 | C05 | O30 | HO3 | 54.1° | 60.0° |
C05 | C06 | O31 | HO1 | 180.0° | 56.1° |
O30 | C05 | C06 | C07 | 172.6° | 54.0° |
O30 | C05 | C06 | O31 | 63.0° | 175.0° |
O30 | C05 | C06 | H06 | 58.4° | 67.0° |
H05 | C05 | C06 | C07 | 65.5° | 172.1° |
H05 | C05 | C06 | O31 | 58.9° | 66.9° |
H05 | C05 | C06 | H06 | 179.7° | 51.1° |
H05 | C05 | O30 | HO3 | 64.1° | 58.1° |
C07 | C06 | O31 | H06 | 114.9° | 118.1° |
C06 | C07 | C32 | H07 | 113.1° | 119.2° |
C07 | C06 | O31 | HO1 | 52.0° | 180.0° |
C06 | C07 | C32 | O33 | 169.9° | 178.4° |
C06 | C07 | C32 | H321 | 44.7° | 58.4° |
C06 | C07 | C32 | H322 | 64.8° | 61.7° |
O31 | C06 | C07 | C32 | 82.9° | 79.6° |
O31 | C06 | C07 | H07 | 24.5° | 161.2° |
H06 | C06 | C07 | C32 | 156.1° | 38.4° |
H06 | C06 | C07 | H07 | 96.6° | 80.8° |
H06 | C06 | O31 | HO1 | 62.8° | 61.9° |
C07 | C32 | O33 | H321 | 125.3° | 120.1° |
C07 | C32 | O33 | H322 | 125.3° | 120.0° |
C07 | C32 | H321 | H322 | 118.9° | 120.0° |
C07 | C32 | O33 | C34 | 95.7° | 180.0° |
H07 | C07 | C32 | O33 | 56.9° | 59.2° |
H07 | C07 | C32 | H321 | 68.4° | 60.8° |
H07 | C07 | C32 | H322 | 177.9° | 179.2° |
C09 | C08 | H081 | H082 | 110.0° | 120.0° |
C08 | C09 | C10 | C14 | 178.6° | 179.7° |
C08 | C09 | C10 | C11 | 178.7° | 179.8° |
C08 | C09 | C10 | H10 | 1.3° | 0.3° |
C08 | C09 | C14 | C13 | 178.8° | 180.0° |
C08 | C09 | C14 | H14 | 1.2° | 0.0° |
H081 | C08 | C09 | C10 | 1.2° | 13.6° |
H081 | C08 | C09 | C14 | 177.4° | 166.7° |
H082 | C08 | C09 | C10 | 108.3° | 133.7° |
H082 | C08 | C09 | C14 | 73.1° | 46.6° |
C09 | C10 | C11 | H10 | 180.0° | 179.5° |
C09 | C10 | C11 | C12 | 0.0° | 0.5° |
C09 | C10 | C11 | C51 | 179.0° | 179.7° |
C10 | C09 | C14 | C13 | 0.3° | 0.3° |
C10 | C09 | C14 | H14 | 179.7° | 179.7° |
C14 | C09 | C10 | C11 | 0.1° | 0.5° |
C14 | C09 | C10 | H10 | 179.9° | 180.0° |
C09 | C14 | C13 | C12 | 0.2° | 0.0° |
C09 | C14 | C13 | H14 | 180.0° | 180.0° |
C09 | C14 | C13 | H13 | 179.7° | 180.0° |
C10 | C11 | C12 | C51 | 178.9° | 179.9° |
C10 | C11 | C12 | C13 | 0.0° | 0.2° |
C10 | C11 | C12 | H12 | 180.0° | 179.8° |
C10 | C11 | C51 | O52 | 143.1° | 0.2° |
C10 | C11 | C51 | N53 | 37.7° | 179.7° |
H10 | C10 | C11 | C12 | 180.0° | 180.0° |
H10 | C10 | C11 | C51 | 1.1° | 0.2° |
C11 | C12 | C13 | H12 | 180.0° | 179.9° |
C11 | C12 | C13 | C14 | 0.1° | 0.1° |
C11 | C12 | C13 | H13 | 179.9° | 180.0° |
C12 | C11 | C51 | O52 | 35.8° | 179.9° |
C12 | C11 | C51 | N53 | 143.3° | 0.1° |
C51 | C11 | C12 | C13 | 178.9° | 180.0° |
C51 | C11 | C12 | H12 | 1.1° | 0.1° |
C11 | C51 | O52 | N53 | 179.2° | 180.0° |
C11 | C51 | N53 | C54 | 178.6° | 180.0° |
C11 | C51 | N53 | H53 | 1.4° | 0.1° |
C12 | C13 | C14 | H13 | 180.0° | 180.0° |
C12 | C13 | C14 | H14 | 179.8° | 180.0° |
H12 | C12 | C13 | C14 | 179.9° | 180.0° |
H12 | C12 | C13 | H13 | 0.1° | 0.0° |
H13 | C13 | C14 | H14 | 0.3° | 0.0° |
O16 | C17 | C18 | C22 | 179.9° | 179.8° |
O16 | C17 | C18 | C19 | 179.9° | 180.0° |
O16 | C17 | C18 | H18 | 0.0° | 0.0° |
O16 | C17 | C22 | C21 | 179.8° | 179.7° |
O16 | C17 | C22 | H22 | 0.2° | 0.2° |
C17 | O16 | C41 | H411 | 53.9° | 60.0° |
C17 | O16 | C41 | H412 | 55.6° | 60.0° |
C41 | O16 | C17 | C18 | 30.0° | 180.0° |
C41 | O16 | C17 | C22 | 150.1° | 0.2° |
O16 | C41 | H411 | H412 | 117.5° | 120.0° |
C17 | C18 | C19 | H18 | 179.9° | 180.0° |
C17 | C18 | C19 | C20 | 0.2° | 0.0° |
C17 | C18 | C19 | H19 | 179.9° | 180.0° |
C18 | C17 | C22 | C21 | 0.1° | 0.5° |
C18 | C17 | C22 | H22 | 179.9° | 180.0° |
C22 | C17 | C18 | C19 | 0.1° | 0.3° |
C22 | C17 | C18 | H18 | 179.9° | 179.8° |
C17 | C22 | C21 | C20 | 0.2° | 0.5° |
C17 | C22 | C21 | H22 | 180.0° | 179.5° |
C17 | C22 | C21 | H21 | 179.8° | 179.7° |
C18 | C19 | C20 | H19 | 180.0° | 180.0° |
C18 | C19 | C20 | C21 | 0.1° | 0.0° |
C18 | C19 | C20 | H20 | 179.9° | 179.9° |
H18 | C18 | C19 | C20 | 179.8° | 179.9° |
H18 | C18 | C19 | H19 | 0.2° | 0.0° |
C19 | C20 | C21 | H20 | 180.0° | 179.9° |
C19 | C20 | C21 | C22 | 0.1° | 0.2° |
C19 | C20 | C21 | H21 | 179.9° | 180.0° |
H19 | C19 | C20 | C21 | 179.9° | 180.0° |
H19 | C19 | C20 | H20 | 0.1° | 0.1° |
C20 | C21 | C22 | H21 | 180.0° | 179.8° |
C20 | C21 | C22 | H22 | 179.9° | 180.0° |
H20 | C20 | C21 | C22 | 180.0° | 179.7° |
H20 | C20 | C21 | H21 | 0.0° | 0.1° |
H21 | C21 | C22 | H22 | 0.1° | 0.2° |
C24 | C23 | H231 | H232 | 114.0° | 120.0° |
C23 | C24 | C25 | C29 | 179.8° | 179.8° |
C23 | C24 | C25 | C26 | 179.6° | 180.0° |
C23 | C24 | C25 | H25 | 0.3° | 0.0° |
C23 | C24 | C29 | C28 | 179.6° | 179.8° |
C23 | C24 | C29 | H29 | 0.3° | 0.2° |
H231 | C23 | C24 | C25 | 161.7° | 45.1° |
H231 | C23 | C24 | C29 | 18.5° | 134.6° |
H232 | C23 | C24 | C25 | 52.1° | 165.2° |
H232 | C23 | C24 | C29 | 128.1° | 14.6° |
C24 | C25 | C26 | H25 | 179.9° | 180.0° |
C24 | C25 | C26 | C27 | 0.0° | 0.0° |
C24 | C25 | C26 | H26 | 179.9° | 180.0° |
C25 | C24 | C29 | C28 | 0.2° | 0.4° |
C25 | C24 | C29 | H29 | 179.9° | 179.9° |
C29 | C24 | C25 | C26 | 0.2° | 0.2° |
C29 | C24 | C25 | H25 | 179.9° | 179.8° |
C24 | C29 | C28 | C27 | 0.0° | 0.3° |
C24 | C29 | C28 | H29 | 180.0° | 179.7° |
C24 | C29 | C28 | H28 | 180.0° | 179.7° |
C25 | C26 | C27 | H26 | 179.9° | 179.9° |
C25 | C26 | C27 | C28 | 0.1° | 0.1° |
C25 | C26 | C27 | H27 | 179.8° | 180.0° |
H25 | C25 | C26 | C27 | 180.0° | 180.0° |
H25 | C25 | C26 | H26 | 0.0° | 0.0° |
C26 | C27 | C28 | H27 | 180.0° | 179.9° |
C26 | C27 | C28 | C29 | 0.2° | 0.1° |
C26 | C27 | C28 | H28 | 179.9° | 180.0° |
H26 | C26 | C27 | C28 | 179.9° | 180.0° |
H26 | C26 | C27 | H27 | 0.1° | 0.0° |
C27 | C28 | C29 | H28 | 180.0° | 179.9° |
C27 | C28 | C29 | H29 | 179.9° | 180.0° |
H27 | C27 | C28 | C29 | 179.8° | 179.9° |
H27 | C27 | C28 | H28 | 0.1° | 0.1° |
H28 | C28 | C29 | H29 | 0.0° | 0.1° |
O33 | C32 | H321 | H322 | 118.8° | 119.9° |
C32 | O33 | C34 | C35 | 30.0° | 180.0° |
C32 | O33 | C34 | C39 | 150.3° | 0.2° |
H321 | C32 | O33 | C34 | 29.6° | 59.9° |
H322 | C32 | O33 | C34 | 139.0° | 60.0° |
O33 | C34 | C35 | C39 | 179.6° | 179.8° |
O33 | C34 | C35 | C36 | 179.7° | 180.0° |
O33 | C34 | C35 | H35 | 0.4° | 0.0° |
O33 | C34 | C39 | C38 | 179.4° | 179.7° |
O33 | C34 | C39 | H39 | 0.6° | 0.2° |
C34 | C35 | C36 | H35 | 179.9° | 180.0° |
C34 | C35 | C36 | C37 | 0.3° | 0.1° |
C34 | C35 | C36 | H36 | 179.7° | 180.0° |
C35 | C34 | C39 | C38 | 0.3° | 0.5° |
C35 | C34 | C39 | H39 | 179.7° | 180.0° |
C39 | C34 | C35 | C36 | 0.0° | 0.2° |
C39 | C34 | C35 | H35 | 180.0° | 179.8° |
C34 | C39 | C38 | C37 | 0.3° | 0.5° |
C34 | C39 | C38 | H39 | 180.0° | 179.5° |
C34 | C39 | C38 | H38 | 179.7° | 179.7° |
C35 | C36 | C37 | H36 | 180.0° | 179.9° |
C35 | C36 | C37 | C38 | 0.3° | 0.0° |
C35 | C36 | C37 | H37 | 179.7° | 180.0° |
H35 | C35 | C36 | C37 | 179.8° | 179.9° |
H35 | C35 | C36 | H36 | 0.2° | 0.0° |
C36 | C37 | C38 | H37 | 180.0° | 179.9° |
C36 | C37 | C38 | C39 | 0.0° | 0.2° |
C36 | C37 | C38 | H38 | 180.0° | 180.0° |
H36 | C36 | C37 | C38 | 179.7° | 180.0° |
H36 | C36 | C37 | H37 | 0.3° | 0.1° |
C37 | C38 | C39 | H38 | 180.0° | 179.8° |
C37 | C38 | C39 | H39 | 179.7° | 180.0° |
H37 | C37 | C38 | C39 | 180.0° | 179.7° |
H37 | C37 | C38 | H38 | 0.0° | 0.1° |
H38 | C38 | C39 | H39 | 0.3° | 0.2° |
O52 | C51 | N53 | C54 | 0.5° | 0.0° |
O52 | C51 | N53 | H53 | 179.5° | 180.0° |
C51 | N53 | C54 | H53 | 180.0° | 180.0° |
C51 | N53 | C54 | H541 | 180.0° | 180.0° |
C51 | N53 | C54 | H542 | 54.7° | 60.0° |
C51 | N53 | C54 | H543 | 54.8° | 60.1° |
N53 | C54 | H541 | H542 | 125.3° | 120.0° |
N53 | C54 | H541 | H543 | 125.2° | 120.0° |
N53 | C54 | H542 | H543 | 115.1° | 120.0° |
H53 | N53 | C54 | H541 | 0.0° | 0.0° |
H53 | N53 | C54 | H542 | 125.3° | 120.0° |
H53 | N53 | C54 | H543 | 125.2° | 120.0° |
H541 | C54 | H542 | H543 | 115.1° | 120.0° |