RP6
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAA | CAJ | doub | 1.31Å | 1.31Å | |
C11 | C10 | sing | 1.51Å | 1.49Å | |
O10 | C10 | doub | 1.21Å | 1.23Å | |
O1A | C1 | doub | 1.22Å | 1.26Å | |
O9 | C9 | sing | 1.43Å | 1.42Å | |
O1B | C1 | sing | 1.35Å | 1.43Å | |
O8 | C8 | sing | 1.43Å | 1.32Å | |
O4 | C4 | sing | 1.43Å | 1.43Å | |
O7 | C7 | sing | 1.43Å | 1.32Å | |
CAJ | CAL | sing | 1.51Å | 1.33Å | |
C9 | C8 | sing | 1.53Å | 1.50Å | |
CAL | C3 | sing | 1.51Å | 1.49Å | |
N5 | C10 | sing | 1.35Å | 1.37Å | |
N5 | C5 | sing | 1.46Å | 1.46Å | |
O6 | C2 | sing | 1.35Å | 1.45Å | |
O6 | C6 | sing | 1.43Å | 1.43Å | |
C1 | C2 | sing | 1.47Å | 1.47Å | |
C3 | C2 | doub | 1.32Å | 1.35Å | |
C3 | C4 | sing | 1.50Å | 1.52Å | |
C8 | C7 | sing | 1.53Å | 1.33Å | |
C4 | C5 | sing | 1.53Å | 1.57Å | |
C7 | C6 | sing | 1.53Å | 1.48Å | |
C5 | C6 | sing | 1.54Å | 1.55Å | |
CAA | HAA | sing | 1.08Å | 1.08Å | |
CAA | HAAA | sing | 1.08Å | 1.08Å | |
C11 | H111 | sing | 1.09Å | 1.10Å | |
C11 | H112 | sing | 1.09Å | 1.10Å | |
C11 | H113 | sing | 1.09Å | 1.10Å | |
O9 | HO9 | sing | 0.97Å | 0.95Å | |
O1B | HO1B | sing | 0.97Å | 0.95Å | |
O8 | HO8 | sing | 0.97Å | 0.95Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
O7 | HO7 | sing | 0.97Å | 0.95Å | |
CAJ | HAJ | sing | 1.08Å | 1.08Å | |
C9 | H91 | sing | 1.09Å | 1.10Å | |
C9 | H92 | sing | 1.09Å | 1.10Å | |
CAL | HAL | sing | 1.09Å | 1.10Å | |
CAL | H15 | sing | 1.09Å | 1.10Å | |
N5 | HN5 | sing | 0.97Å | 1.00Å | |
C8 | H8 | sing | 1.09Å | 1.10Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
C7 | H7 | sing | 1.09Å | 1.10Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C6 | H6 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAA | CAJ | CAL | 121.1° | 120.0° |
CAJ | CAA | HAA | 120.0° | 120.0° |
CAJ | CAA | HAAA | 120.0° | 120.0° |
CAA | CAJ | HAJ | 119.4° | 120.0° |
C11 | C10 | O10 | 117.0° | 119.9° |
C11 | C10 | N5 | 119.3° | 120.0° |
C10 | C11 | H111 | 109.5° | 109.5° |
C10 | C11 | H112 | 109.5° | 109.4° |
C10 | C11 | H113 | 109.5° | 109.4° |
O10 | C10 | N5 | 123.6° | 120.0° |
O1A | C1 | O1B | 124.4° | 120.0° |
O1A | C1 | C2 | 114.4° | 120.0° |
O9 | C9 | C8 | 103.4° | 109.5° |
C9 | O9 | HO9 | 109.5° | 114.0° |
O9 | C9 | H91 | 111.5° | 109.5° |
O9 | C9 | H92 | 111.5° | 109.4° |
O1B | C1 | C2 | 118.9° | 120.0° |
C1 | O1B | HO1B | 109.5° | 117.0° |
O8 | C8 | C9 | 115.2° | 109.4° |
O8 | C8 | C7 | 117.5° | 109.5° |
C8 | O8 | HO8 | 109.5° | 114.0° |
O8 | C8 | H8 | 100.9° | 109.4° |
O4 | C4 | C3 | 100.1° | 109.5° |
O4 | C4 | C5 | 111.4° | 109.5° |
C4 | O4 | HO4 | 109.5° | 114.0° |
O4 | C4 | H4 | 115.1° | 109.5° |
O7 | C7 | C8 | 117.9° | 109.5° |
O7 | C7 | C6 | 120.9° | 109.5° |
C7 | O7 | HO7 | 109.5° | 114.0° |
O7 | C7 | H7 | 97.0° | 109.5° |
CAJ | CAL | C3 | 116.2° | 109.5° |
CAL | CAJ | HAJ | 119.5° | 120.0° |
CAJ | CAL | HAL | 107.3° | 109.6° |
CAJ | CAL | H15 | 107.3° | 109.5° |
C9 | C8 | C7 | 116.0° | 109.5° |
C8 | C9 | H91 | 111.6° | 109.5° |
C8 | C9 | H92 | 111.5° | 109.5° |
C9 | C8 | H8 | 103.3° | 109.5° |
CAL | C3 | C2 | 122.3° | 118.9° |
CAL | C3 | C4 | 117.2° | 118.8° |
C3 | CAL | HAL | 107.3° | 109.4° |
C3 | CAL | H15 | 107.3° | 109.4° |
C10 | N5 | C5 | 118.2° | 120.0° |
C10 | N5 | HN5 | 120.9° | 120.1° |
N5 | C5 | C4 | 110.5° | 109.7° |
N5 | C5 | C6 | 115.5° | 109.7° |
C5 | N5 | HN5 | 120.9° | 119.9° |
N5 | C5 | H5 | 104.9° | 109.7° |
C2 | O6 | C6 | 119.3° | 117.6° |
O6 | C2 | C1 | 111.8° | 118.5° |
O6 | C2 | C3 | 121.0° | 123.0° |
O6 | C6 | C7 | 88.5° | 109.7° |
O6 | C6 | C5 | 105.8° | 108.3° |
O6 | C6 | H6 | 127.2° | 109.7° |
C1 | C2 | C3 | 126.8° | 118.5° |
C2 | C3 | C4 | 120.4° | 122.3° |
C3 | C4 | C5 | 111.7° | 109.4° |
C3 | C4 | H4 | 114.7° | 109.5° |
C8 | C7 | C6 | 120.5° | 109.5° |
C7 | C8 | H8 | 99.8° | 109.5° |
C8 | C7 | H7 | 99.7° | 109.4° |
C4 | C5 | C6 | 110.9° | 108.2° |
C5 | C4 | H4 | 104.1° | 109.5° |
C4 | C5 | H5 | 110.1° | 109.7° |
C7 | C6 | C5 | 118.4° | 109.7° |
C6 | C7 | H7 | 81.5° | 109.5° |
C7 | C6 | H6 | 116.2° | 109.7° |
C6 | C5 | H5 | 104.5° | 109.7° |
C5 | C6 | H6 | 101.6° | 109.7° |
HAA | CAA | HAAA | 120.0° | 120.0° |
H111 | C11 | H112 | 109.5° | 109.5° |
H111 | C11 | H113 | 109.5° | 109.5° |
H112 | C11 | H113 | 109.5° | 109.5° |
H91 | C9 | H92 | 107.3° | 109.5° |
HAL | CAL | H15 | 111.6° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAA | CAJ | CAL | HAJ | 180.0° | 179.9° |
CAA | CAJ | CAL | C3 | 176.1° | 125.0° |
CAJ | CAA | HAA | HAAA | 180.0° | 179.8° |
CAA | CAJ | CAL | HAL | 63.9° | 115.0° |
CAA | CAJ | CAL | H15 | 56.1° | 5.0° |
C11 | C10 | O10 | N5 | 177.8° | 180.0° |
C11 | C10 | N5 | C5 | 124.7° | 180.0° |
C10 | C11 | H111 | H112 | 120.0° | 119.9° |
C10 | C11 | H111 | H113 | 120.0° | 120.0° |
C10 | C11 | H112 | H113 | 120.0° | 119.9° |
C11 | C10 | N5 | HN5 | 55.3° | 0.0° |
O10 | C10 | N5 | C5 | 53.0° | 0.0° |
O10 | C10 | C11 | H111 | 0.0° | 0.0° |
O10 | C10 | C11 | H112 | 120.0° | 120.0° |
O10 | C10 | C11 | H113 | 120.0° | 120.0° |
O10 | C10 | N5 | HN5 | 127.0° | 180.0° |
O1A | C1 | O1B | C2 | 161.9° | 179.9° |
O1A | C1 | C2 | O6 | 23.2° | 86.6° |
O1A | C1 | C2 | C3 | 149.4° | 93.5° |
O1A | C1 | O1B | HO1B | 0.0° | 0.0° |
O9 | C9 | C8 | O8 | 60.5° | 65.0° |
O9 | C9 | C8 | H91 | 120.0° | 120.0° |
O9 | C9 | C8 | H92 | 120.0° | 120.0° |
O9 | C9 | C8 | C7 | 82.4° | 175.0° |
O9 | C9 | H91 | H92 | 122.4° | 120.0° |
O9 | C9 | C8 | H8 | 169.6° | 54.9° |
O1B | C1 | C2 | O6 | 140.5° | 93.4° |
O1B | C1 | C2 | C3 | 47.0° | 86.6° |
O8 | C8 | C7 | O7 | 156.4° | 180.0° |
O8 | C8 | C9 | C7 | 142.9° | 120.0° |
O8 | C8 | C9 | H8 | 109.1° | 119.9° |
O8 | C8 | C7 | H8 | 107.9° | 120.0° |
O8 | C8 | C7 | C6 | 32.7° | 60.0° |
O8 | C8 | C9 | H91 | 179.5° | 55.0° |
O8 | C8 | C9 | H92 | 59.5° | 175.0° |
O8 | C8 | C7 | H7 | 53.1° | 60.0° |
O4 | C4 | C3 | CAL | 43.2° | 42.5° |
O4 | C4 | C5 | N5 | 73.2° | 73.1° |
O4 | C4 | C3 | C2 | 139.5° | 137.6° |
O4 | C4 | C3 | C5 | 118.0° | 120.0° |
O4 | C4 | C3 | H4 | 123.8° | 120.0° |
O4 | C4 | C5 | H4 | 124.6° | 120.0° |
O4 | C4 | C5 | C6 | 157.5° | 167.2° |
O4 | C4 | C5 | H5 | 42.3° | 47.5° |
O7 | C7 | C8 | C9 | 14.4° | 60.0° |
O7 | C7 | C6 | O6 | 86.5° | 65.0° |
O7 | C7 | C8 | C6 | 170.9° | 120.0° |
O7 | C7 | C8 | H7 | 103.4° | 120.0° |
O7 | C7 | C6 | H7 | 93.1° | 120.1° |
O7 | C7 | C6 | C5 | 20.6° | 53.9° |
O7 | C7 | C8 | H8 | 95.7° | 60.0° |
O7 | C7 | C6 | H6 | 142.1° | 174.5° |
CAJ | CAL | C3 | HAL | 120.0° | 120.1° |
CAJ | CAL | C3 | H15 | 120.0° | 120.0° |
CAJ | CAL | C3 | C2 | 103.7° | 94.8° |
CAJ | CAL | C3 | C4 | 79.1° | 85.2° |
CAL | CAJ | CAA | HAA | 0.0° | 179.9° |
CAL | CAJ | CAA | HAAA | 180.0° | 0.2° |
CAJ | CAL | HAL | H15 | 117.3° | 120.0° |
C9 | C8 | C7 | H8 | 110.1° | 120.0° |
C9 | C8 | C7 | C6 | 174.7° | 180.0° |
C8 | C9 | O9 | HO9 | 180.0° | 180.0° |
C9 | C8 | O8 | HO8 | 180.0° | 60.1° |
C8 | C9 | H91 | H92 | 122.4° | 120.0° |
C9 | C8 | C7 | H7 | 88.9° | 60.0° |
CAL | C3 | C2 | O6 | 171.9° | 179.6° |
CAL | C3 | C2 | C1 | 16.2° | 0.4° |
CAL | C3 | C2 | C4 | 177.2° | 180.0° |
CAL | C3 | C4 | C5 | 161.2° | 162.5° |
C3 | CAL | CAJ | HAJ | 3.9° | 55.1° |
C3 | CAL | HAL | H15 | 117.2° | 119.9° |
CAL | C3 | C4 | H4 | 80.6° | 77.6° |
C10 | N5 | C5 | HN5 | 180.0° | 180.0° |
C10 | N5 | C5 | C4 | 101.7° | 85.0° |
C10 | N5 | C5 | C6 | 131.5° | 156.2° |
N5 | C10 | C11 | H111 | 177.9° | 180.0° |
N5 | C10 | C11 | H112 | 57.9° | 60.0° |
N5 | C10 | C11 | H113 | 62.2° | 59.9° |
C10 | N5 | C5 | H5 | 17.0° | 35.6° |
N5 | C5 | C6 | O6 | 173.4° | 177.4° |
N5 | C5 | C4 | C3 | 175.8° | 166.8° |
N5 | C5 | C4 | C6 | 129.3° | 119.7° |
N5 | C5 | C4 | H5 | 115.5° | 120.6° |
N5 | C5 | C6 | C7 | 76.4° | 57.6° |
N5 | C5 | C6 | H5 | 114.7° | 120.6° |
N5 | C5 | C4 | H4 | 51.4° | 46.9° |
N5 | C5 | C6 | H6 | 52.2° | 62.9° |
O6 | C2 | C1 | C3 | 172.6° | 180.0° |
O6 | C2 | C3 | C4 | 10.9° | 0.4° |
C2 | O6 | C6 | C7 | 170.5° | 167.5° |
C2 | O6 | C6 | C5 | 51.3° | 47.9° |
C2 | O6 | C6 | H6 | 67.2° | 71.9° |
C6 | O6 | C2 | C1 | 145.0° | 163.3° |
C6 | O6 | C2 | C3 | 28.1° | 16.7° |
O6 | C6 | C7 | C8 | 84.1° | 55.0° |
O6 | C6 | C5 | C4 | 60.0° | 63.0° |
O6 | C6 | C7 | C5 | 107.2° | 118.9° |
O6 | C6 | C7 | H6 | 131.3° | 120.6° |
O6 | C6 | C5 | H6 | 134.4° | 119.7° |
O6 | C6 | C7 | H7 | 179.6° | 175.0° |
O6 | C6 | C5 | H5 | 58.7° | 56.7° |
C1 | C2 | C3 | C4 | 161.0° | 179.6° |
C2 | C1 | O1B | HO1B | 161.9° | 180.0° |
C2 | C3 | C4 | C5 | 21.5° | 17.6° |
C2 | C3 | CAL | HAL | 136.3° | 25.3° |
C2 | C3 | CAL | H15 | 16.3° | 145.2° |
C2 | C3 | C4 | H4 | 96.7° | 102.4° |
C3 | C4 | C5 | H4 | 124.4° | 119.9° |
C3 | C4 | C5 | C6 | 46.5° | 47.2° |
C3 | C4 | O4 | HO4 | 180.0° | 60.0° |
C4 | C3 | CAL | HAL | 40.9° | 154.7° |
C4 | C3 | CAL | H15 | 160.9° | 34.8° |
C3 | C4 | C5 | H5 | 68.8° | 72.6° |
C8 | C7 | C6 | H7 | 96.3° | 120.0° |
C8 | C7 | C6 | C5 | 168.8° | 173.9° |
C7 | C8 | O8 | HO8 | 37.7° | 59.9° |
C8 | C7 | O7 | HO7 | 180.0° | 60.0° |
C7 | C8 | C9 | H91 | 37.6° | 65.0° |
C7 | C8 | C9 | H92 | 157.6° | 55.0° |
C8 | C7 | C6 | H6 | 47.3° | 65.6° |
C4 | C5 | C6 | C7 | 157.0° | 177.3° |
C4 | C5 | C6 | H5 | 118.7° | 119.7° |
C5 | C4 | O4 | HO4 | 61.7° | 179.9° |
C4 | C5 | N5 | HN5 | 78.3° | 95.0° |
C4 | C5 | C6 | H6 | 74.4° | 56.7° |
C7 | C6 | C5 | H6 | 128.6° | 120.6° |
C6 | C7 | O7 | HO7 | 9.2° | 60.0° |
C6 | C7 | C8 | H8 | 75.2° | 60.0° |
C7 | C6 | C5 | H5 | 38.3° | 63.0° |
C6 | C5 | N5 | HN5 | 48.5° | 23.8° |
C6 | C5 | C4 | H4 | 77.9° | 72.8° |
C5 | C6 | C7 | H7 | 72.4° | 66.2° |
HAA | CAA | CAJ | HAJ | 180.0° | 0.0° |
HAAA | CAA | CAJ | HAJ | 0.1° | 179.8° |
H111 | C11 | H112 | H113 | 120.0° | 120.1° |
HO9 | O9 | C9 | H91 | 60.0° | 60.0° |
HO9 | O9 | C9 | H92 | 60.0° | 60.0° |
HO8 | O8 | C8 | H8 | 69.5° | 180.0° |
HO4 | O4 | C4 | H4 | 56.5° | 60.0° |
HO7 | O7 | C7 | H7 | 75.0° | 180.0° |
HAJ | CAJ | CAL | HAL | 116.1° | 64.9° |
HAJ | CAJ | CAL | H15 | 123.9° | 175.0° |
H91 | C9 | C8 | H8 | 70.4° | 175.0° |
H92 | C9 | C8 | H8 | 49.6° | 65.1° |
HN5 | N5 | C5 | H5 | 163.0° | 144.4° |
H8 | C8 | C7 | H7 | 160.9° | 180.0° |
H4 | C4 | C5 | H5 | 166.9° | 167.5° |
H7 | C7 | C6 | H6 | 49.0° | 54.4° |
H5 | C5 | C6 | H6 | 167.0° | 176.5° |