414
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C37 | C38 | doub | 1.38Å | 1.42Å | Aromatic |
C37 | C36 | sing | 1.38Å | 1.42Å | Aromatic |
C37 | H37 | sing | 1.08Å | 1.08Å | |
C38 | C39 | sing | 1.38Å | 1.42Å | Aromatic |
C38 | H38 | sing | 1.08Å | 1.08Å | |
C39 | C40 | doub | 1.38Å | 1.42Å | Aromatic |
C39 | H39 | sing | 1.08Å | 1.08Å | |
C40 | C41 | sing | 1.38Å | 1.42Å | Aromatic |
C40 | H40 | sing | 1.08Å | 1.08Å | |
C41 | C36 | doub | 1.38Å | 1.43Å | Aromatic |
C41 | H41 | sing | 1.08Å | 1.08Å | |
C36 | C33 | sing | 1.51Å | 1.40Å | |
C33 | O32 | sing | 1.45Å | 1.44Å | |
C33 | H331 | sing | 1.09Å | 1.10Å | |
C33 | H332 | sing | 1.09Å | 1.10Å | |
O32 | C30 | sing | 1.35Å | 1.37Å | |
C30 | N29 | sing | 1.35Å | 1.33Å | |
C30 | O31 | doub | 1.21Å | 1.24Å | |
N29 | C25 | sing | 1.47Å | 1.46Å | |
N29 | HN29 | sing | 0.97Å | 1.00Å | |
C25 | P24 | sing | 1.82Å | 1.84Å | |
C25 | C50 | sing | 1.53Å | 1.54Å | |
C25 | H25 | sing | 1.09Å | 1.10Å | |
C50 | C51 | sing | 1.53Å | 1.57Å | |
C50 | C55 | sing | 1.53Å | 1.57Å | |
C50 | H50 | sing | 1.09Å | 1.10Å | |
C51 | C52 | sing | 1.53Å | 1.55Å | |
C51 | H511 | sing | 1.09Å | 1.10Å | |
C51 | H512 | sing | 1.09Å | 1.10Å | |
C52 | C53 | sing | 1.53Å | 1.55Å | |
C52 | H521 | sing | 1.09Å | 1.10Å | |
C52 | H522 | sing | 1.09Å | 1.10Å | |
C53 | C54 | sing | 1.53Å | 1.54Å | |
C53 | H531 | sing | 1.09Å | 1.10Å | |
C53 | H532 | sing | 1.09Å | 1.10Å | |
C54 | C55 | sing | 1.53Å | 1.54Å | |
C54 | H541 | sing | 1.09Å | 1.10Å | |
C54 | H542 | sing | 1.09Å | 1.10Å | |
C55 | H551 | sing | 1.09Å | 1.10Å | |
C55 | H552 | sing | 1.09Å | 1.10Å | |
P24 | O23 | sing | 1.61Å | 1.62Å | |
P24 | O35 | doub | 1.48Å | 1.48Å | |
P24 | O34 | sing | 1.61Å | 1.48Å | |
O34 | HO34 | sing | 0.97Å | 0.95Å | |
O23 | C1 | sing | 1.43Å | 1.46Å | |
C1 | C3 | sing | 1.51Å | 1.56Å | |
C1 | C2 | sing | 1.51Å | 1.55Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C2 | O13 | doub | 1.21Å | 1.25Å | |
C2 | O14 | sing | 1.34Å | 1.26Å | |
O14 | HO14 | sing | 0.97Å | 0.95Å | |
C3 | C8 | doub | 1.38Å | 1.42Å | Aromatic |
C3 | C4 | sing | 1.38Å | 1.42Å | Aromatic |
C8 | C7 | sing | 1.39Å | 1.43Å | Aromatic |
C8 | H8 | sing | 1.08Å | 1.08Å | |
C4 | C5 | doub | 1.38Å | 1.42Å | Aromatic |
C4 | H4 | sing | 1.08Å | 1.08Å | |
C5 | C6 | sing | 1.38Å | 1.42Å | Aromatic |
C5 | H5 | sing | 1.08Å | 1.08Å | |
C6 | C7 | doub | 1.39Å | 1.42Å | Aromatic |
C6 | H6 | sing | 1.08Å | 1.08Å | |
C7 | N9 | sing | 1.40Å | 1.35Å | |
N9 | C10 | sing | 1.38Å | 1.35Å | |
N9 | HN9 | sing | 0.97Å | 1.00Å | |
C10 | N11 | sing | 1.38Å | 1.33Å | |
C10 | N12 | doub | 1.30Å | 1.34Å | |
N12 | HN12 | sing | 0.97Å | 1.00Å | |
N11 | H111 | sing | 0.97Å | 1.00Å | |
N11 | H112 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C38 | C37 | C36 | 119.8° | 120.0° |
C38 | C37 | H37 | 120.1° | 120.0° |
C37 | C38 | C39 | 120.1° | 120.0° |
C37 | C38 | H38 | 119.9° | 120.0° |
C36 | C37 | H37 | 120.1° | 120.0° |
C37 | C36 | C41 | 119.8° | 120.0° |
C37 | C36 | C33 | 120.1° | 120.0° |
C39 | C38 | H38 | 119.9° | 120.0° |
C38 | C39 | C40 | 120.2° | 120.0° |
C38 | C39 | H39 | 119.9° | 120.0° |
C40 | C39 | H39 | 119.9° | 120.0° |
C39 | C40 | C41 | 119.7° | 120.0° |
C39 | C40 | H40 | 120.1° | 120.0° |
C41 | C40 | H40 | 120.1° | 120.0° |
C40 | C41 | C36 | 120.3° | 120.0° |
C40 | C41 | H41 | 119.8° | 120.0° |
C36 | C41 | H41 | 119.9° | 120.0° |
C41 | C36 | C33 | 120.0° | 120.0° |
C36 | C33 | O32 | 117.9° | 109.5° |
C36 | C33 | H331 | 106.7° | 109.5° |
C36 | C33 | H332 | 104.8° | 109.5° |
O32 | C33 | H331 | 106.8° | 109.5° |
O32 | C33 | H332 | 104.8° | 109.4° |
C33 | O32 | C30 | 117.7° | 117.0° |
H331 | C33 | H332 | 116.3° | 109.5° |
O32 | C30 | N29 | 114.4° | 120.0° |
O32 | C30 | O31 | 121.7° | 120.0° |
N29 | C30 | O31 | 123.9° | 120.0° |
C30 | N29 | C25 | 124.6° | 120.0° |
C30 | N29 | HN29 | 117.7° | 120.0° |
C25 | N29 | HN29 | 117.7° | 120.0° |
N29 | C25 | P24 | 108.6° | 109.5° |
N29 | C25 | C50 | 110.4° | 109.5° |
N29 | C25 | H25 | 112.0° | 109.4° |
P24 | C25 | C50 | 116.0° | 109.5° |
P24 | C25 | H25 | 105.9° | 109.4° |
C25 | P24 | O23 | 108.4° | 109.5° |
C25 | P24 | O35 | 102.2° | 109.4° |
C25 | P24 | O34 | 109.4° | 109.5° |
C50 | C25 | H25 | 103.8° | 109.5° |
C25 | C50 | C51 | 111.7° | 109.5° |
C25 | C50 | C55 | 108.8° | 109.5° |
C25 | C50 | H50 | 108.6° | 109.5° |
C51 | C50 | C55 | 110.0° | 109.5° |
C51 | C50 | H50 | 107.4° | 109.5° |
C50 | C51 | C52 | 111.5° | 109.4° |
C50 | C51 | H511 | 108.8° | 109.5° |
C50 | C51 | H512 | 108.4° | 109.5° |
C55 | C50 | H50 | 110.3° | 109.5° |
C50 | C55 | C54 | 113.0° | 109.5° |
C50 | C55 | H551 | 108.3° | 109.5° |
C50 | C55 | H552 | 107.5° | 109.5° |
C52 | C51 | H511 | 108.8° | 109.5° |
C52 | C51 | H512 | 108.3° | 109.5° |
C51 | C52 | C53 | 111.2° | 109.5° |
C51 | C52 | H521 | 108.9° | 109.4° |
C51 | C52 | H522 | 108.5° | 109.5° |
H511 | C51 | H512 | 111.1° | 109.5° |
C53 | C52 | H521 | 108.9° | 109.5° |
C53 | C52 | H522 | 108.5° | 109.5° |
C52 | C53 | C54 | 110.3° | 109.5° |
C52 | C53 | H531 | 109.2° | 109.5° |
C52 | C53 | H532 | 109.0° | 109.5° |
H521 | C52 | H522 | 110.8° | 109.5° |
C54 | C53 | H531 | 109.2° | 109.4° |
C54 | C53 | H532 | 109.0° | 109.5° |
C53 | C54 | C55 | 110.3° | 109.5° |
C53 | C54 | H541 | 109.2° | 109.5° |
C53 | C54 | H542 | 109.0° | 109.5° |
H531 | C53 | H532 | 110.1° | 109.5° |
C55 | C54 | H541 | 109.2° | 109.5° |
C55 | C54 | H542 | 109.0° | 109.5° |
C54 | C55 | H551 | 108.3° | 109.5° |
C54 | C55 | H552 | 107.5° | 109.5° |
H541 | C54 | H542 | 110.1° | 109.5° |
H551 | C55 | H552 | 112.3° | 109.4° |
O23 | P24 | O35 | 106.7° | 109.4° |
O23 | P24 | O34 | 110.0° | 109.5° |
P24 | O23 | C1 | 116.3° | 123.0° |
O35 | P24 | O34 | 119.7° | 109.5° |
P24 | O34 | HO34 | 109.5° | 114.1° |
O23 | C1 | C3 | 112.2° | 109.5° |
O23 | C1 | C2 | 111.1° | 109.5° |
O23 | C1 | H1 | 107.6° | 109.5° |
C3 | C1 | C2 | 112.7° | 109.5° |
C3 | C1 | H1 | 105.8° | 109.4° |
C1 | C3 | C8 | 120.3° | 120.0° |
C1 | C3 | C4 | 120.7° | 120.0° |
C2 | C1 | H1 | 107.0° | 109.4° |
C1 | C2 | O13 | 117.5° | 120.0° |
C1 | C2 | O14 | 116.8° | 120.1° |
O13 | C2 | O14 | 125.6° | 120.0° |
C2 | O14 | HO14 | 109.5° | 117.1° |
C8 | C3 | C4 | 118.9° | 120.0° |
C3 | C8 | C7 | 121.1° | 120.0° |
C3 | C8 | H8 | 119.5° | 120.0° |
C3 | C4 | C5 | 120.2° | 120.2° |
C3 | C4 | H4 | 119.9° | 119.9° |
C7 | C8 | H8 | 119.5° | 120.0° |
C8 | C7 | C6 | 119.5° | 119.8° |
C8 | C7 | N9 | 120.5° | 120.1° |
C5 | C4 | H4 | 119.9° | 119.9° |
C4 | C5 | C6 | 120.4° | 120.1° |
C4 | C5 | H5 | 119.8° | 120.0° |
C6 | C5 | H5 | 119.8° | 120.0° |
C5 | C6 | C7 | 119.9° | 119.9° |
C5 | C6 | H6 | 120.0° | 120.0° |
C7 | C6 | H6 | 120.1° | 120.1° |
C6 | C7 | N9 | 120.0° | 120.1° |
C7 | N9 | C10 | 123.3° | 120.0° |
C7 | N9 | HN9 | 118.4° | 120.0° |
C10 | N9 | HN9 | 118.3° | 120.0° |
N9 | C10 | N11 | 118.8° | 120.0° |
N9 | C10 | N12 | 121.5° | 120.0° |
N11 | C10 | N12 | 119.7° | 120.0° |
C10 | N11 | H111 | 110.2° | 120.0° |
C10 | N11 | H112 | 124.9° | 120.0° |
C10 | N12 | HN12 | 110.2° | 120.0° |
H111 | N11 | H112 | 124.9° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C38 | C37 | C36 | H37 | 180.0° | 179.7° |
C37 | C38 | C39 | H38 | 180.0° | 179.9° |
C37 | C38 | C39 | C40 | 0.0° | 0.1° |
C37 | C38 | C39 | H39 | 180.0° | 180.0° |
C38 | C37 | C36 | C41 | 0.0° | 0.1° |
C38 | C37 | C36 | C33 | 179.5° | 180.0° |
C36 | C37 | C38 | C39 | 0.1° | 0.0° |
C36 | C37 | C38 | H38 | 179.9° | 180.0° |
C37 | C36 | C41 | C40 | 0.1° | 0.1° |
C37 | C36 | C41 | C33 | 179.5° | 179.9° |
C37 | C36 | C41 | H41 | 179.9° | 180.0° |
C37 | C36 | C33 | O32 | 170.4° | 90.0° |
C37 | C36 | C33 | H331 | 69.6° | 150.0° |
C37 | C36 | C33 | H332 | 54.4° | 30.0° |
H37 | C37 | C38 | C39 | 179.9° | 179.7° |
H37 | C37 | C38 | H38 | 0.1° | 0.3° |
H37 | C37 | C36 | C41 | 180.0° | 179.6° |
H37 | C37 | C36 | C33 | 0.5° | 0.3° |
C38 | C39 | C40 | H39 | 180.0° | 179.9° |
C38 | C39 | C40 | C41 | 0.1° | 0.1° |
C38 | C39 | C40 | H40 | 179.9° | 180.0° |
H38 | C38 | C39 | C40 | 180.0° | 180.0° |
H38 | C38 | C39 | H39 | 0.0° | 0.1° |
C39 | C40 | C41 | H40 | 180.0° | 179.9° |
C39 | C40 | C41 | C36 | 0.1° | 0.0° |
C39 | C40 | C41 | H41 | 179.9° | 179.9° |
H39 | C39 | C40 | C41 | 179.9° | 180.0° |
H39 | C39 | C40 | H40 | 0.1° | 0.1° |
C40 | C41 | C36 | H41 | 180.0° | 179.9° |
C40 | C41 | C36 | C33 | 179.4° | 180.0° |
H40 | C40 | C41 | C36 | 179.9° | 179.9° |
H40 | C40 | C41 | H41 | 0.1° | 0.0° |
C41 | C36 | C33 | O32 | 9.1° | 90.1° |
C41 | C36 | C33 | H331 | 110.9° | 29.9° |
C41 | C36 | C33 | H332 | 125.1° | 149.9° |
H41 | C41 | C36 | C33 | 0.6° | 0.1° |
C36 | C33 | O32 | H331 | 120.0° | 120.0° |
C36 | C33 | O32 | H332 | 116.0° | 120.0° |
C36 | C33 | H331 | H332 | 116.5° | 120.0° |
C36 | C33 | O32 | C30 | 176.8° | 180.0° |
O32 | C33 | H331 | H332 | 116.5° | 120.0° |
C33 | O32 | C30 | N29 | 179.4° | 180.0° |
C33 | O32 | C30 | O31 | 1.9° | 0.1° |
H331 | C33 | O32 | C30 | 56.8° | 59.9° |
H332 | C33 | O32 | C30 | 67.2° | 60.0° |
O32 | C30 | N29 | O31 | 178.6° | 179.9° |
O32 | C30 | N29 | C25 | 179.8° | 180.0° |
O32 | C30 | N29 | HN29 | 0.3° | 0.1° |
C30 | N29 | C25 | HN29 | 180.0° | 179.9° |
C30 | N29 | C25 | P24 | 112.2° | 104.9° |
C30 | N29 | C25 | C50 | 119.5° | 135.0° |
C30 | N29 | C25 | H25 | 4.3° | 15.0° |
O31 | C30 | N29 | C25 | 1.1° | 0.1° |
O31 | C30 | N29 | HN29 | 178.9° | 180.0° |
N29 | C25 | P24 | C50 | 125.0° | 120.0° |
N29 | C25 | P24 | H25 | 120.4° | 119.9° |
N29 | C25 | C50 | H25 | 120.2° | 120.0° |
N29 | C25 | C50 | C51 | 51.8° | 55.0° |
N29 | C25 | C50 | C55 | 69.9° | 175.0° |
N29 | C25 | C50 | H50 | 170.0° | 65.0° |
N29 | C25 | P24 | O23 | 56.3° | 175.0° |
N29 | C25 | P24 | O35 | 56.0° | 65.1° |
N29 | C25 | P24 | O34 | 176.2° | 55.0° |
HN29 | N29 | C25 | P24 | 67.7° | 75.0° |
HN29 | N29 | C25 | C50 | 60.5° | 45.0° |
HN29 | N29 | C25 | H25 | 175.7° | 165.0° |
P24 | C25 | C50 | H25 | 115.7° | 120.0° |
P24 | C25 | C50 | C51 | 72.3° | 175.0° |
P24 | C25 | C50 | C55 | 166.0° | 65.0° |
P24 | C25 | C50 | H50 | 45.9° | 55.0° |
C25 | P24 | O23 | O35 | 109.3° | 119.9° |
C25 | P24 | O23 | O34 | 119.5° | 120.0° |
C25 | P24 | O35 | O34 | 120.9° | 120.0° |
C25 | P24 | O34 | HO34 | 88.0° | 60.0° |
C25 | P24 | O23 | C1 | 161.4° | 175.0° |
C25 | C50 | C51 | C55 | 121.0° | 120.0° |
C25 | C50 | C51 | H50 | 118.9° | 120.0° |
C25 | C50 | C55 | H50 | 119.0° | 120.0° |
C25 | C50 | C51 | C52 | 173.7° | 180.0° |
C25 | C50 | C51 | H511 | 53.8° | 60.0° |
C25 | C50 | C51 | H512 | 67.1° | 60.0° |
C25 | C50 | C55 | C54 | 175.8° | 180.0° |
C25 | C50 | C55 | H551 | 64.2° | 60.0° |
C25 | C50 | C55 | H552 | 57.3° | 60.0° |
C50 | C25 | P24 | O23 | 68.7° | 65.0° |
C50 | C25 | P24 | O35 | 178.9° | 55.0° |
C50 | C25 | P24 | O34 | 51.2° | 175.0° |
H25 | C25 | C50 | C51 | 172.0° | 65.0° |
H25 | C25 | C50 | C55 | 50.3° | 55.0° |
H25 | C25 | C50 | H50 | 69.8° | 175.0° |
H25 | C25 | P24 | O23 | 176.8° | 55.1° |
H25 | C25 | P24 | O35 | 64.4° | 175.0° |
H25 | C25 | P24 | O34 | 63.3° | 65.0° |
C51 | C50 | C55 | H50 | 118.3° | 120.0° |
C50 | C51 | C52 | H511 | 120.0° | 120.0° |
C50 | C51 | C52 | H512 | 119.2° | 120.0° |
C50 | C51 | H511 | H512 | 119.2° | 120.0° |
C50 | C51 | C52 | C53 | 56.7° | 60.0° |
C50 | C51 | C52 | H521 | 176.7° | 180.0° |
C50 | C51 | C52 | H522 | 62.6° | 60.0° |
C51 | C50 | C55 | C54 | 53.1° | 60.0° |
C51 | C50 | C55 | H551 | 173.0° | 180.0° |
C51 | C50 | C55 | H552 | 65.4° | 60.0° |
C55 | C50 | C51 | C52 | 52.7° | 60.0° |
C55 | C50 | C51 | H511 | 67.2° | 60.0° |
C55 | C50 | C51 | H512 | 171.9° | 180.0° |
C50 | C55 | C54 | C53 | 56.0° | 60.0° |
C50 | C55 | C54 | H551 | 120.0° | 120.0° |
C50 | C55 | C54 | H552 | 118.4° | 120.0° |
C50 | C55 | C54 | H541 | 175.9° | 180.0° |
C50 | C55 | C54 | H542 | 63.7° | 60.0° |
C50 | C55 | H551 | H552 | 118.6° | 120.0° |
H50 | C50 | C51 | C52 | 67.3° | 60.0° |
H50 | C50 | C51 | H511 | 172.7° | 180.0° |
H50 | C50 | C51 | H512 | 51.8° | 60.0° |
H50 | C50 | C55 | C54 | 65.2° | 60.0° |
H50 | C50 | C55 | H551 | 54.8° | 60.0° |
H50 | C50 | C55 | H552 | 176.3° | 180.0° |
C52 | C51 | H511 | H512 | 119.2° | 120.0° |
C51 | C52 | C53 | H521 | 120.0° | 120.0° |
C51 | C52 | C53 | H522 | 119.3° | 120.0° |
C51 | C52 | H521 | H522 | 119.3° | 120.0° |
C51 | C52 | C53 | C54 | 58.8° | 60.0° |
C51 | C52 | C53 | H531 | 61.2° | 60.0° |
C51 | C52 | C53 | H532 | 178.5° | 180.0° |
H511 | C51 | C52 | C53 | 63.3° | 60.0° |
H511 | C51 | C52 | H521 | 56.7° | 60.0° |
H511 | C51 | C52 | H522 | 177.4° | 180.0° |
H512 | C51 | C52 | C53 | 175.8° | 180.0° |
H512 | C51 | C52 | H521 | 64.2° | 60.0° |
H512 | C51 | C52 | H522 | 56.6° | 60.0° |
C53 | C52 | H521 | H522 | 119.3° | 120.0° |
C52 | C53 | C54 | H531 | 120.0° | 120.0° |
C52 | C53 | C54 | H532 | 119.6° | 120.0° |
C52 | C53 | H531 | H532 | 119.7° | 120.0° |
C52 | C53 | C54 | C55 | 57.8° | 60.0° |
C52 | C53 | C54 | H541 | 177.8° | 180.0° |
C52 | C53 | C54 | H542 | 61.8° | 60.0° |
H521 | C52 | C53 | C54 | 178.8° | 180.0° |
H521 | C52 | C53 | H531 | 58.8° | 60.0° |
H521 | C52 | C53 | H532 | 61.5° | 60.0° |
H522 | C52 | C53 | C54 | 60.5° | 60.0° |
H522 | C52 | C53 | H531 | 179.5° | 180.0° |
H522 | C52 | C53 | H532 | 59.2° | 60.0° |
C54 | C53 | H531 | H532 | 119.7° | 120.0° |
C53 | C54 | C55 | H541 | 120.0° | 120.0° |
C53 | C54 | C55 | H542 | 119.7° | 120.0° |
C53 | C54 | H541 | H542 | 119.7° | 120.0° |
C53 | C54 | C55 | H551 | 175.9° | 180.0° |
C53 | C54 | C55 | H552 | 62.5° | 60.0° |
H531 | C53 | C54 | C55 | 62.2° | 60.0° |
H531 | C53 | C54 | H541 | 57.8° | 60.1° |
H531 | C53 | C54 | H542 | 178.2° | 180.0° |
H532 | C53 | C54 | C55 | 177.4° | 180.0° |
H532 | C53 | C54 | H541 | 62.6° | 60.0° |
H532 | C53 | C54 | H542 | 57.8° | 60.0° |
C55 | C54 | H541 | H542 | 119.6° | 120.0° |
C54 | C55 | H551 | H552 | 118.6° | 120.0° |
H541 | C54 | C55 | H551 | 64.1° | 60.0° |
H541 | C54 | C55 | H552 | 57.5° | 60.0° |
H542 | C54 | C55 | H551 | 56.3° | 60.0° |
H542 | C54 | C55 | H552 | 177.8° | 180.0° |
O23 | P24 | O35 | O34 | 125.5° | 120.0° |
O23 | P24 | O34 | HO34 | 153.1° | 60.0° |
P24 | O23 | C1 | C3 | 144.2° | 119.9° |
P24 | O23 | C1 | C2 | 88.7° | 120.0° |
P24 | O23 | C1 | H1 | 28.2° | 0.1° |
O35 | P24 | O34 | HO34 | 29.2° | 180.0° |
O35 | P24 | O23 | C1 | 52.1° | 55.1° |
O34 | P24 | O23 | C1 | 79.1° | 64.9° |
O23 | C1 | C3 | C2 | 126.3° | 120.0° |
O23 | C1 | C3 | H1 | 117.0° | 120.1° |
O23 | C1 | C2 | H1 | 117.2° | 120.0° |
O23 | C1 | C2 | O13 | 25.1° | 0.0° |
O23 | C1 | C2 | O14 | 151.8° | 180.0° |
O23 | C1 | C3 | C8 | 164.7° | 140.0° |
O23 | C1 | C3 | C4 | 18.5° | 39.7° |
C3 | C1 | C2 | H1 | 115.9° | 119.9° |
C3 | C1 | C2 | O13 | 101.7° | 120.0° |
C3 | C1 | C2 | O14 | 81.3° | 60.0° |
C1 | C3 | C8 | C4 | 176.8° | 179.7° |
C1 | C3 | C8 | C7 | 177.0° | 180.0° |
C1 | C3 | C8 | H8 | 3.0° | 0.0° |
C1 | C3 | C4 | C5 | 176.7° | 180.0° |
C1 | C3 | C4 | H4 | 3.3° | 0.1° |
C1 | C2 | O13 | O14 | 176.6° | 180.0° |
C1 | C2 | O14 | HO14 | 176.6° | 180.0° |
C2 | C1 | C3 | C8 | 38.4° | 100.0° |
C2 | C1 | C3 | C4 | 144.9° | 80.3° |
H1 | C1 | C2 | O13 | 142.3° | 120.1° |
H1 | C1 | C2 | O14 | 34.6° | 60.0° |
H1 | C1 | C3 | C8 | 78.2° | 20.0° |
H1 | C1 | C3 | C4 | 98.5° | 159.8° |
O13 | C2 | O14 | HO14 | 0.0° | 0.0° |
C3 | C8 | C7 | H8 | 180.0° | 180.0° |
C8 | C3 | C4 | C5 | 0.0° | 0.2° |
C8 | C3 | C4 | H4 | 180.0° | 179.8° |
C3 | C8 | C7 | C6 | 0.4° | 0.0° |
C3 | C8 | C7 | N9 | 178.9° | 180.0° |
C4 | C3 | C8 | C7 | 0.2° | 0.2° |
C4 | C3 | C8 | H8 | 179.8° | 179.7° |
C3 | C4 | C5 | H4 | 180.0° | 180.0° |
C3 | C4 | C5 | C6 | 0.1° | 0.0° |
C3 | C4 | C5 | H5 | 179.8° | 180.0° |
C8 | C7 | C6 | C5 | 0.3° | 0.3° |
C8 | C7 | C6 | N9 | 178.6° | 179.9° |
C8 | C7 | C6 | H6 | 179.7° | 180.0° |
C8 | C7 | N9 | C10 | 56.7° | 141.4° |
C8 | C7 | N9 | HN9 | 123.3° | 38.6° |
H8 | C8 | C7 | C6 | 179.6° | 180.0° |
H8 | C8 | C7 | N9 | 1.1° | 0.0° |
C4 | C5 | C6 | H5 | 180.0° | 180.0° |
C4 | C5 | C6 | C7 | 0.0° | 0.3° |
C4 | C5 | C6 | H6 | 180.0° | 180.0° |
H4 | C4 | C5 | C6 | 179.8° | 180.0° |
H4 | C4 | C5 | H5 | 0.2° | 0.0° |
C5 | C6 | C7 | H6 | 180.0° | 179.7° |
C5 | C6 | C7 | N9 | 178.8° | 179.7° |
H5 | C5 | C6 | C7 | 180.0° | 179.7° |
H5 | C5 | C6 | H6 | 0.0° | 0.0° |
C6 | C7 | N9 | C10 | 124.8° | 38.5° |
C6 | C7 | N9 | HN9 | 55.3° | 141.4° |
H6 | C6 | C7 | N9 | 1.2° | 0.1° |
C7 | N9 | C10 | HN9 | 180.0° | 179.9° |
C7 | N9 | C10 | N11 | 177.2° | 5.9° |
C7 | N9 | C10 | N12 | 3.9° | 174.1° |
N9 | C10 | N11 | N12 | 179.0° | 180.0° |
N9 | C10 | N12 | HN12 | 0.6° | 0.0° |
N9 | C10 | N11 | H111 | 180.0° | 11.1° |
N9 | C10 | N11 | H112 | 0.0° | 168.7° |
HN9 | N9 | C10 | N11 | 2.8° | 174.1° |
HN9 | N9 | C10 | N12 | 176.1° | 5.9° |
N11 | C10 | N12 | HN12 | 179.5° | 180.0° |
C10 | N11 | H111 | H112 | 180.0° | 179.9° |
N12 | C10 | N11 | H111 | 1.1° | 168.9° |
N12 | C10 | N11 | H112 | 178.9° | 11.3° |