6PZ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O4 | C4 | sing | 1.43Å | 1.43Å | |
C11 | C10 | sing | 1.51Å | 1.51Å | |
O10 | C10 | doub | 1.21Å | 1.25Å | |
C10 | N5 | sing | 1.35Å | 1.28Å | |
C4 | C3 | sing | 1.53Å | 1.53Å | |
C4 | C5 | sing | 1.53Å | 1.53Å | |
N5 | C5 | sing | 1.47Å | 1.49Å | |
C3 | C2 | sing | 1.53Å | 1.53Å | |
C5 | C6 | sing | 1.53Å | 1.53Å | |
C2 | C1 | sing | 1.51Å | 1.53Å | |
C2 | O6 | sing | 1.43Å | 1.46Å | |
O1A | C1 | doub | 1.21Å | 1.25Å | |
C1 | O1B | sing | 1.34Å | 1.24Å | |
O10A | C10A | doub | 1.21Å | 1.25Å | |
C11A | C10A | sing | 1.51Å | 1.51Å | |
C6 | O6 | sing | 1.43Å | 1.46Å | |
C6 | C7 | sing | 1.53Å | 1.54Å | |
C10A | N1 | sing | 1.35Å | 1.28Å | |
N1 | C7 | sing | 1.47Å | 1.49Å | |
C7 | C8 | sing | 1.53Å | 1.54Å | |
C8 | O8 | sing | 1.43Å | 1.43Å | |
C8 | C9 | sing | 1.53Å | 1.53Å | |
N1 | H1 | sing | 0.97Å | 1.00Å | |
C7 | H7 | sing | 1.09Å | 1.10Å | |
C8 | H8 | sing | 1.09Å | 1.10Å | |
C9 | H92 | sing | 1.09Å | 1.10Å | |
C9 | H91 | sing | 1.09Å | 1.10Å | |
C9 | H6A | sing | 1.09Å | 1.10Å | |
O8 | HO8 | sing | 0.97Å | 0.95Å | |
C6 | H6 | sing | 1.09Å | 1.10Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
N5 | HN5 | sing | 0.97Å | 1.00Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
C3 | H32 | sing | 1.09Å | 1.10Å | |
C3 | H31 | sing | 1.09Å | 1.10Å | |
C2 | O2 | sing | 1.43Å | 1.07Å | |
O1B | HO1B | sing | 0.97Å | 0.95Å | |
C11A | H17 | sing | 1.09Å | 1.10Å | |
C11A | H18 | sing | 1.09Å | 1.10Å | |
C11A | H19 | sing | 1.09Å | 1.10Å | |
C11 | H111 | sing | 1.09Å | 1.10Å | |
C11 | H113 | sing | 1.09Å | 1.10Å | |
C11 | H112 | sing | 1.09Å | 1.10Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O4 | C4 | C3 | 109.7° | 109.5° |
O4 | C4 | C5 | 109.6° | 109.5° |
O4 | C4 | H4 | 109.6° | 109.6° |
C4 | O4 | HO4 | 109.5° | 114.0° |
C11 | C10 | O10 | 118.5° | 120.0° |
C11 | C10 | N5 | 119.8° | 120.0° |
C10 | C11 | H111 | 109.5° | 109.5° |
C10 | C11 | H113 | 109.5° | 109.5° |
C10 | C11 | H112 | 109.5° | 109.5° |
O10 | C10 | N5 | 121.7° | 120.0° |
C10 | N5 | C5 | 126.7° | 120.0° |
C10 | N5 | HN5 | 116.7° | 120.0° |
C3 | C4 | C5 | 111.3° | 109.0° |
C4 | C3 | C2 | 112.1° | 109.2° |
C3 | C4 | H4 | 108.3° | 109.6° |
C4 | C3 | H32 | 108.8° | 109.5° |
C4 | C3 | H31 | 108.8° | 109.6° |
C4 | C5 | N5 | 110.1° | 109.6° |
C4 | C5 | C6 | 109.4° | 109.2° |
C4 | C5 | H5 | 108.5° | 109.5° |
C5 | C4 | H4 | 108.3° | 109.6° |
N5 | C5 | C6 | 111.2° | 109.5° |
N5 | C5 | H5 | 109.1° | 109.5° |
C5 | N5 | HN5 | 116.7° | 120.0° |
C3 | C2 | C1 | 115.2° | 109.5° |
C3 | C2 | O6 | 103.5° | 109.4° |
C2 | C3 | H32 | 108.8° | 109.5° |
C2 | C3 | H31 | 108.8° | 109.5° |
C3 | C2 | O2 | 107.9° | 109.5° |
C5 | C6 | O6 | 105.9° | 109.4° |
C5 | C6 | C7 | 114.2° | 109.5° |
C5 | C6 | H6 | 108.7° | 109.4° |
C6 | C5 | H5 | 108.5° | 109.6° |
C1 | C2 | O6 | 102.8° | 109.5° |
C2 | C1 | O1A | 120.6° | 120.0° |
C2 | C1 | O1B | 119.9° | 120.0° |
C1 | C2 | O2 | 108.4° | 109.5° |
C2 | O6 | C6 | 117.7° | 114.1° |
O6 | C2 | O2 | 119.4° | 109.5° |
O1A | C1 | O1B | 119.5° | 120.0° |
C1 | O1B | HO1B | 109.5° | 117.0° |
O10A | C10A | C11A | 118.6° | 120.0° |
O10A | C10A | N1 | 121.4° | 120.0° |
C11A | C10A | N1 | 120.0° | 120.0° |
C10A | C11A | H17 | 109.5° | 109.5° |
C10A | C11A | H18 | 109.4° | 109.5° |
C10A | C11A | H19 | 109.5° | 109.5° |
O6 | C6 | C7 | 109.7° | 109.5° |
O6 | C6 | H6 | 109.7° | 109.5° |
C6 | C7 | N1 | 112.2° | 109.5° |
C6 | C7 | C8 | 111.8° | 109.5° |
C6 | C7 | H7 | 106.8° | 109.5° |
C7 | C6 | H6 | 108.6° | 109.5° |
C10A | N1 | C7 | 130.2° | 120.0° |
C10A | N1 | H1 | 114.9° | 120.0° |
N1 | C7 | C8 | 111.5° | 109.5° |
C7 | N1 | H1 | 114.9° | 120.0° |
N1 | C7 | H7 | 107.4° | 109.4° |
C7 | C8 | O8 | 108.0° | 109.5° |
C7 | C8 | C9 | 114.3° | 109.5° |
C8 | C7 | H7 | 106.8° | 109.5° |
C7 | C8 | H8 | 107.6° | 109.5° |
O8 | C8 | C9 | 109.9° | 109.5° |
O8 | C8 | H8 | 109.1° | 109.4° |
C8 | O8 | HO8 | 109.5° | 113.9° |
C9 | C8 | H8 | 107.8° | 109.5° |
C8 | C9 | H92 | 109.5° | 109.5° |
C8 | C9 | H91 | 109.5° | 109.4° |
C8 | C9 | H6A | 109.5° | 109.4° |
H92 | C9 | H91 | 109.5° | 109.5° |
H92 | C9 | H6A | 109.5° | 109.5° |
H91 | C9 | H6A | 109.4° | 109.5° |
H32 | C3 | H31 | 109.5° | 109.5° |
C2 | O2 | HO2 | 109.5° | 113.9° |
H17 | C11A | H18 | 109.5° | 109.4° |
H17 | C11A | H19 | 109.5° | 109.5° |
H18 | C11A | H19 | 109.5° | 109.5° |
H111 | C11 | H113 | 109.4° | 109.5° |
H111 | C11 | H112 | 109.5° | 109.4° |
H113 | C11 | H112 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O4 | C4 | C3 | C5 | 121.5° | 119.8° |
O4 | C4 | C3 | H4 | 119.6° | 120.3° |
O4 | C4 | C5 | H4 | 119.5° | 120.3° |
O4 | C4 | C5 | N5 | 53.5° | 56.9° |
O4 | C4 | C3 | C2 | 176.8° | 176.9° |
O4 | C4 | C5 | C6 | 176.0° | 176.8° |
O4 | C4 | C5 | H5 | 65.8° | 63.2° |
O4 | C4 | C3 | H32 | 62.8° | 63.3° |
O4 | C4 | C3 | H31 | 56.4° | 56.9° |
C11 | C10 | O10 | N5 | 179.5° | 179.9° |
C11 | C10 | N5 | C5 | 178.3° | 180.0° |
C11 | C10 | N5 | HN5 | 1.7° | 0.0° |
C10 | C11 | H111 | H113 | 120.0° | 120.1° |
C10 | C11 | H111 | H112 | 120.0° | 119.9° |
C10 | C11 | H113 | H112 | 120.0° | 120.0° |
O10 | C10 | N5 | C5 | 1.1° | 0.0° |
O10 | C10 | N5 | HN5 | 178.9° | 179.9° |
O10 | C10 | C11 | H111 | 0.0° | 180.0° |
O10 | C10 | C11 | H113 | 120.0° | 59.9° |
O10 | C10 | C11 | H112 | 120.0° | 60.1° |
C10 | N5 | C5 | C4 | 112.6° | 85.3° |
C10 | N5 | C5 | HN5 | 180.0° | 180.0° |
C10 | N5 | C5 | C6 | 126.0° | 155.0° |
C10 | N5 | C5 | H5 | 6.4° | 34.9° |
N5 | C10 | C11 | H111 | 179.4° | 0.1° |
N5 | C10 | C11 | H113 | 59.5° | 120.0° |
N5 | C10 | C11 | H112 | 60.5° | 120.0° |
C3 | C4 | C5 | H4 | 118.9° | 119.9° |
C3 | C4 | C5 | N5 | 68.0° | 62.9° |
C4 | C3 | C2 | H32 | 120.4° | 119.9° |
C4 | C3 | C2 | H31 | 120.4° | 120.0° |
C3 | C4 | C5 | C6 | 54.4° | 57.0° |
C4 | C3 | C2 | C1 | 166.7° | 177.6° |
C4 | C3 | C2 | O6 | 55.2° | 57.6° |
C3 | C4 | C5 | H5 | 172.7° | 176.9° |
C3 | C4 | O4 | HO4 | 180.0° | 60.0° |
C4 | C3 | H32 | H31 | 118.8° | 120.2° |
C4 | C3 | C2 | O2 | 72.1° | 62.3° |
C4 | C5 | N5 | C6 | 121.4° | 119.7° |
C4 | C5 | N5 | H5 | 119.0° | 120.2° |
C5 | C4 | C3 | C2 | 55.3° | 57.0° |
C4 | C5 | C6 | H5 | 118.2° | 119.9° |
C4 | C5 | C6 | O6 | 56.1° | 57.6° |
C4 | C5 | C6 | C7 | 176.9° | 177.6° |
C4 | C5 | C6 | H6 | 61.7° | 62.4° |
C4 | C5 | N5 | HN5 | 67.4° | 94.7° |
C5 | C4 | O4 | HO4 | 57.5° | 179.6° |
C5 | C4 | C3 | H32 | 175.7° | 176.9° |
C5 | C4 | C3 | H31 | 65.1° | 62.9° |
N5 | C5 | C6 | H5 | 120.0° | 120.1° |
N5 | C5 | C6 | O6 | 65.7° | 62.4° |
N5 | C5 | C6 | C7 | 55.1° | 57.6° |
N5 | C5 | C6 | H6 | 176.5° | 177.6° |
N5 | C5 | C4 | H4 | 173.1° | 177.2° |
C3 | C2 | C1 | O6 | 111.8° | 119.9° |
C3 | C2 | C1 | O2 | 120.9° | 120.0° |
C3 | C2 | O6 | O2 | 119.8° | 119.9° |
C3 | C2 | C1 | O1A | 72.5° | 125.0° |
C3 | C2 | C1 | O1B | 107.3° | 55.1° |
C3 | C2 | O6 | C6 | 64.8° | 61.1° |
C2 | C3 | C4 | H4 | 63.6° | 62.9° |
C2 | C3 | H32 | H31 | 118.8° | 120.1° |
C3 | C2 | O2 | HO2 | 105.9° | 180.0° |
C5 | C6 | O6 | C2 | 66.8° | 61.1° |
C5 | C6 | O6 | C7 | 123.7° | 120.0° |
C5 | C6 | O6 | H6 | 117.1° | 120.0° |
C5 | C6 | C7 | H6 | 121.5° | 120.0° |
C5 | C6 | C7 | N1 | 52.3° | 59.7° |
C5 | C6 | C7 | C8 | 178.4° | 179.7° |
C5 | C6 | C7 | H7 | 65.1° | 60.2° |
C6 | C5 | N5 | HN5 | 54.0° | 25.0° |
C6 | C5 | C4 | H4 | 64.5° | 62.9° |
C1 | C2 | O6 | O2 | 120.0° | 120.1° |
C2 | C1 | O1A | O1B | 179.8° | 179.9° |
C1 | C2 | O6 | C6 | 174.9° | 178.9° |
C1 | C2 | C3 | H32 | 72.9° | 62.5° |
C1 | C2 | C3 | H31 | 46.3° | 57.6° |
C2 | C1 | O1B | HO1B | 179.9° | 180.0° |
C1 | C2 | O2 | HO2 | 19.4° | 59.9° |
O6 | C2 | C1 | O1A | 175.7° | 5.1° |
O6 | C2 | C1 | O1B | 4.5° | 175.0° |
C2 | O6 | C6 | C7 | 169.5° | 178.9° |
C2 | O6 | C6 | H6 | 50.3° | 58.8° |
O6 | C2 | C3 | H32 | 175.7° | 177.5° |
O6 | C2 | C3 | H31 | 65.1° | 62.4° |
O6 | C2 | O2 | HO2 | 136.6° | 60.1° |
O1A | C1 | C2 | O2 | 48.4° | 115.0° |
O1A | C1 | O1B | HO1B | 0.0° | 0.1° |
O1B | C1 | C2 | O2 | 131.8° | 65.0° |
O10A | C10A | C11A | N1 | 176.2° | 180.0° |
O10A | C10A | N1 | C7 | 9.3° | 0.0° |
O10A | C10A | N1 | H1 | 170.7° | 179.8° |
O10A | C10A | C11A | H17 | 0.0° | 179.9° |
O10A | C10A | C11A | H18 | 120.0° | 60.0° |
O10A | C10A | C11A | H19 | 120.0° | 60.0° |
C11A | C10A | N1 | C7 | 174.6° | 180.0° |
C11A | C10A | N1 | H1 | 5.4° | 0.3° |
C10A | C11A | H17 | H18 | 120.0° | 119.9° |
C10A | C11A | H17 | H19 | 120.0° | 120.1° |
C10A | C11A | H18 | H19 | 120.0° | 120.0° |
O6 | C6 | C7 | H6 | 119.9° | 120.1° |
O6 | C6 | C7 | N1 | 171.0° | 179.7° |
O6 | C6 | C7 | C8 | 62.9° | 60.3° |
O6 | C6 | C7 | H7 | 53.5° | 59.7° |
O6 | C6 | C5 | H5 | 174.3° | 177.5° |
C6 | O6 | C2 | O2 | 54.9° | 58.8° |
C6 | C7 | N1 | C10A | 118.2° | 154.7° |
C6 | C7 | N1 | C8 | 126.3° | 120.0° |
C6 | C7 | N1 | H7 | 117.1° | 120.0° |
C6 | C7 | C8 | H7 | 116.5° | 120.0° |
C6 | C7 | C8 | O8 | 166.2° | 174.2° |
C6 | C7 | C8 | C9 | 71.2° | 65.8° |
C6 | C7 | N1 | H1 | 61.8° | 25.0° |
C6 | C7 | C8 | H8 | 48.6° | 54.2° |
C7 | C6 | C5 | H5 | 64.9° | 62.5° |
C10A | N1 | C7 | H1 | 180.0° | 179.8° |
C10A | N1 | C7 | C8 | 115.5° | 85.3° |
C10A | N1 | C7 | H7 | 1.1° | 34.8° |
N1 | C10A | C11A | H17 | 176.2° | 0.0° |
N1 | C10A | C11A | H18 | 63.8° | 120.0° |
N1 | C10A | C11A | H19 | 56.2° | 120.0° |
N1 | C7 | C8 | H7 | 117.0° | 120.0° |
N1 | C7 | C8 | O8 | 67.3° | 65.8° |
N1 | C7 | C8 | C9 | 55.4° | 54.2° |
N1 | C7 | C8 | H8 | 175.1° | 174.2° |
N1 | C7 | C6 | H6 | 69.2° | 60.3° |
C7 | C8 | O8 | C9 | 125.3° | 120.1° |
C7 | C8 | O8 | H8 | 116.7° | 120.0° |
C7 | C8 | C9 | H8 | 119.7° | 120.0° |
C8 | C7 | N1 | H1 | 64.5° | 95.0° |
C7 | C8 | C9 | H92 | 180.0° | 60.0° |
C7 | C8 | C9 | H91 | 60.0° | 180.0° |
C7 | C8 | C9 | H6A | 60.0° | 60.0° |
C7 | C8 | O8 | HO8 | 180.0° | 57.4° |
C8 | C7 | C6 | H6 | 57.0° | 59.7° |
O8 | C8 | C9 | H8 | 118.7° | 120.0° |
O8 | C8 | C7 | H7 | 49.7° | 54.2° |
O8 | C8 | C9 | H92 | 58.4° | 180.0° |
O8 | C8 | C9 | H91 | 61.6° | 59.9° |
O8 | C8 | C9 | H6A | 178.4° | 60.0° |
C9 | C8 | C7 | H7 | 172.4° | 174.2° |
C8 | C9 | H92 | H91 | 120.0° | 120.0° |
C8 | C9 | H92 | H6A | 120.0° | 120.0° |
C8 | C9 | H91 | H6A | 120.0° | 119.9° |
C9 | C8 | O8 | HO8 | 54.7° | 177.5° |
H1 | N1 | C7 | H7 | 178.9° | 145.0° |
H7 | C7 | C8 | H8 | 67.9° | 65.8° |
H7 | C7 | C6 | H6 | 173.4° | 179.8° |
H8 | C8 | C9 | H92 | 60.3° | 60.0° |
H8 | C8 | C9 | H91 | 179.7° | 60.0° |
H8 | C8 | C9 | H6A | 59.7° | 180.0° |
H8 | C8 | O8 | HO8 | 63.3° | 62.5° |
H92 | C9 | H91 | H6A | 120.0° | 120.0° |
H6 | C6 | C5 | H5 | 56.5° | 57.5° |
H5 | C5 | N5 | HN5 | 173.7° | 145.2° |
H5 | C5 | C4 | H4 | 53.7° | 57.0° |
H4 | C4 | O4 | HO4 | 61.2° | 60.2° |
H4 | C4 | C3 | H32 | 56.8° | 57.0° |
H4 | C4 | C3 | H31 | 176.0° | 177.2° |
H32 | C3 | C2 | O2 | 48.3° | 57.6° |
H31 | C3 | C2 | O2 | 167.5° | 177.7° |
H17 | C11A | H18 | H19 | 120.0° | 120.0° |
H111 | C11 | H113 | H112 | 120.0° | 119.9° |