U15
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O42 | C41 | doub | 1.21Å | 1.23Å | |
C41 | O43 | sing | 1.34Å | 1.46Å | |
C41 | C37 | sing | 1.51Å | 1.52Å | |
O43 | C44 | sing | 1.45Å | 1.44Å | |
C44 | H441 | sing | 1.09Å | 1.10Å | |
C44 | H442 | sing | 1.09Å | 1.10Å | |
C44 | H443 | sing | 1.09Å | 1.10Å | |
C37 | C39 | sing | 1.53Å | 1.52Å | |
C37 | N36 | sing | 1.47Å | 1.46Å | |
C37 | H37 | sing | 1.09Å | 1.10Å | |
C39 | C48 | sing | 1.53Å | 1.54Å | |
C39 | H391 | sing | 1.09Å | 1.10Å | |
C39 | H392 | sing | 1.09Å | 1.10Å | |
C48 | C53 | sing | 1.53Å | 1.52Å | |
C48 | C51 | sing | 1.53Å | 1.52Å | |
C48 | H48 | sing | 1.09Å | 1.10Å | |
C53 | H531 | sing | 1.09Å | 1.10Å | |
C53 | H532 | sing | 1.09Å | 1.10Å | |
C53 | H533 | sing | 1.09Å | 1.10Å | |
C51 | H511 | sing | 1.09Å | 1.10Å | |
C51 | H512 | sing | 1.09Å | 1.10Å | |
C51 | H513 | sing | 1.09Å | 1.10Å | |
N36 | C27 | sing | 1.35Å | 1.33Å | |
N36 | HN36 | sing | 0.97Å | 1.00Å | |
C27 | O35 | doub | 1.21Å | 1.23Å | |
C27 | C24 | sing | 1.51Å | 1.51Å | |
C24 | C28 | sing | 1.53Å | 1.54Å | |
C24 | N23 | sing | 1.47Å | 1.46Å | |
C24 | H24 | sing | 1.09Å | 1.10Å | |
C28 | H281 | sing | 1.09Å | 1.10Å | |
C28 | H282 | sing | 1.09Å | 1.10Å | |
C28 | H283 | sing | 1.09Å | 1.10Å | |
N23 | C20 | sing | 1.35Å | 1.31Å | |
N23 | HN23 | sing | 0.97Å | 1.00Å | |
C20 | O22 | doub | 1.21Å | 1.23Å | |
C20 | C14 | sing | 1.51Å | 1.51Å | |
C14 | O19 | sing | 1.43Å | 1.47Å | |
C14 | C7 | sing | 1.53Å | 1.53Å | |
C14 | H14 | sing | 1.09Å | 1.10Å | |
O19 | HO19 | sing | 0.97Å | 0.95Å | |
C7 | N15 | sing | 1.47Å | 1.47Å | |
C7 | C3 | sing | 1.51Å | 1.50Å | |
C7 | H7 | sing | 1.09Å | 1.10Å | |
N15 | H151 | sing | 1.01Å | 1.00Å | |
N15 | H152 | sing | 1.01Å | 1.00Å | |
C3 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
C3 | C1 | sing | 1.38Å | 1.40Å | Aromatic |
C6 | C2 | sing | 1.38Å | 1.40Å | Aromatic |
C6 | H6 | sing | 1.08Å | 1.08Å | |
C2 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
C2 | H2 | sing | 1.08Å | 1.08Å | |
C5 | C9 | sing | 1.51Å | 1.48Å | |
C5 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
C9 | H91 | sing | 1.09Å | 1.10Å | |
C9 | H92 | sing | 1.09Å | 1.10Å | |
C9 | H93 | sing | 1.09Å | 1.10Å | |
C4 | C1 | doub | 1.38Å | 1.41Å | Aromatic |
C4 | H4 | sing | 1.08Å | 1.08Å | |
C1 | H1 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O42 | C41 | O43 | 111.4° | 120.0° |
O42 | C41 | C37 | 123.5° | 120.0° |
O43 | C41 | C37 | 125.1° | 120.0° |
C41 | O43 | C44 | 114.4° | 120.0° |
C41 | C37 | C39 | 113.6° | 109.4° |
C41 | C37 | N36 | 112.1° | 109.5° |
C41 | C37 | H37 | 104.2° | 109.5° |
O43 | C44 | H441 | 109.5° | 109.4° |
O43 | C44 | H442 | 109.5° | 109.5° |
O43 | C44 | H443 | 109.5° | 109.5° |
H441 | C44 | H442 | 109.5° | 109.5° |
H441 | C44 | H443 | 109.4° | 109.5° |
H442 | C44 | H443 | 109.5° | 109.5° |
C39 | C37 | N36 | 108.2° | 109.5° |
C39 | C37 | H37 | 108.5° | 109.4° |
C37 | C39 | C48 | 114.9° | 109.5° |
C37 | C39 | H391 | 107.7° | 109.5° |
C37 | C39 | H392 | 106.5° | 109.5° |
N36 | C37 | H37 | 110.1° | 109.5° |
C37 | N36 | C27 | 126.0° | 120.0° |
C37 | N36 | HN36 | 117.0° | 120.0° |
C48 | C39 | H391 | 107.7° | 109.5° |
C48 | C39 | H392 | 106.4° | 109.4° |
C39 | C48 | C53 | 111.7° | 109.5° |
C39 | C48 | C51 | 113.2° | 109.5° |
C39 | C48 | H48 | 104.4° | 109.5° |
H391 | C39 | H392 | 113.8° | 109.5° |
C53 | C48 | C51 | 106.6° | 109.4° |
C53 | C48 | H48 | 111.3° | 109.4° |
C48 | C53 | H531 | 109.5° | 109.4° |
C48 | C53 | H532 | 109.5° | 109.5° |
C48 | C53 | H533 | 109.4° | 109.5° |
C51 | C48 | H48 | 109.7° | 109.5° |
C48 | C51 | H511 | 109.5° | 109.5° |
C48 | C51 | H512 | 109.4° | 109.5° |
C48 | C51 | H513 | 109.5° | 109.4° |
H531 | C53 | H532 | 109.5° | 109.4° |
H531 | C53 | H533 | 109.5° | 109.4° |
H532 | C53 | H533 | 109.5° | 109.5° |
H511 | C51 | H512 | 109.4° | 109.5° |
H511 | C51 | H513 | 109.4° | 109.4° |
H512 | C51 | H513 | 109.5° | 109.5° |
C27 | N36 | HN36 | 117.0° | 120.0° |
N36 | C27 | O35 | 126.1° | 120.0° |
N36 | C27 | C24 | 117.0° | 120.0° |
O35 | C27 | C24 | 116.8° | 120.1° |
C27 | C24 | C28 | 108.8° | 109.5° |
C27 | C24 | N23 | 109.2° | 109.4° |
C27 | C24 | H24 | 110.7° | 109.5° |
C28 | C24 | N23 | 111.2° | 109.4° |
C28 | C24 | H24 | 108.7° | 109.5° |
C24 | C28 | H281 | 109.5° | 109.5° |
C24 | C28 | H282 | 109.4° | 109.4° |
C24 | C28 | H283 | 109.5° | 109.4° |
N23 | C24 | H24 | 108.2° | 109.5° |
C24 | N23 | C20 | 117.7° | 120.0° |
C24 | N23 | HN23 | 121.2° | 120.0° |
H281 | C28 | H282 | 109.5° | 109.5° |
H281 | C28 | H283 | 109.4° | 109.5° |
H282 | C28 | H283 | 109.5° | 109.5° |
C20 | N23 | HN23 | 121.1° | 119.9° |
N23 | C20 | O22 | 124.7° | 120.0° |
N23 | C20 | C14 | 118.9° | 120.1° |
O22 | C20 | C14 | 116.4° | 120.0° |
C20 | C14 | O19 | 103.6° | 109.5° |
C20 | C14 | C7 | 104.7° | 109.4° |
C20 | C14 | H14 | 115.1° | 109.5° |
O19 | C14 | C7 | 106.6° | 109.5° |
O19 | C14 | H14 | 113.4° | 109.5° |
C14 | O19 | HO19 | 109.5° | 106.8° |
C7 | C14 | H14 | 112.5° | 109.4° |
C14 | C7 | N15 | 117.2° | 109.4° |
C14 | C7 | C3 | 108.7° | 109.5° |
C14 | C7 | H7 | 104.3° | 109.5° |
N15 | C7 | C3 | 108.3° | 109.5° |
N15 | C7 | H7 | 104.7° | 109.5° |
C7 | N15 | H151 | 109.5° | 106.7° |
C7 | N15 | H152 | 109.5° | 106.7° |
C3 | C7 | H7 | 113.8° | 109.5° |
C7 | C3 | C6 | 121.1° | 120.0° |
C7 | C3 | C1 | 122.3° | 120.0° |
H151 | N15 | H152 | 109.5° | 106.8° |
C6 | C3 | C1 | 116.6° | 120.0° |
C3 | C6 | C2 | 121.3° | 120.0° |
C3 | C6 | H6 | 119.3° | 120.0° |
C3 | C1 | C4 | 122.6° | 120.0° |
C3 | C1 | H1 | 118.7° | 120.0° |
C2 | C6 | H6 | 119.3° | 120.0° |
C6 | C2 | C5 | 121.2° | 120.0° |
C6 | C2 | H2 | 119.4° | 120.0° |
C5 | C2 | H2 | 119.4° | 120.0° |
C2 | C5 | C9 | 120.8° | 120.0° |
C2 | C5 | C4 | 118.7° | 119.9° |
C9 | C5 | C4 | 120.5° | 120.0° |
C5 | C9 | H91 | 109.5° | 109.4° |
C5 | C9 | H92 | 109.5° | 109.4° |
C5 | C9 | H93 | 109.5° | 109.5° |
C5 | C4 | C1 | 119.6° | 120.0° |
C5 | C4 | H4 | 120.2° | 120.0° |
H91 | C9 | H92 | 109.4° | 109.4° |
H91 | C9 | H93 | 109.4° | 109.5° |
H92 | C9 | H93 | 109.5° | 109.5° |
C1 | C4 | H4 | 120.2° | 120.0° |
C4 | C1 | H1 | 118.7° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O42 | C41 | O43 | C37 | 179.9° | 179.9° |
O42 | C41 | O43 | C44 | 8.7° | 0.0° |
O42 | C41 | C37 | C39 | 20.9° | 120.0° |
O42 | C41 | C37 | N36 | 143.9° | 0.1° |
O42 | C41 | C37 | H37 | 97.1° | 120.0° |
C41 | O43 | C44 | H441 | 116.7° | 180.0° |
C41 | O43 | C44 | H442 | 123.3° | 60.0° |
C41 | O43 | C44 | H443 | 3.2° | 60.0° |
O43 | C41 | C37 | C39 | 159.0° | 60.0° |
O43 | C41 | C37 | N36 | 36.0° | 180.0° |
O43 | C41 | C37 | H37 | 83.1° | 59.9° |
C37 | C41 | O43 | C44 | 171.4° | 180.0° |
C41 | C37 | C39 | N36 | 125.1° | 120.0° |
C41 | C37 | C39 | H37 | 115.4° | 120.0° |
C41 | C37 | N36 | H37 | 115.6° | 120.1° |
C41 | C37 | C39 | C48 | 135.2° | 175.2° |
C41 | C37 | C39 | H391 | 15.2° | 55.2° |
C41 | C37 | C39 | H392 | 107.2° | 64.8° |
C41 | C37 | N36 | C27 | 77.1° | 85.0° |
C41 | C37 | N36 | HN36 | 102.9° | 94.9° |
O43 | C44 | H441 | H442 | 120.0° | 120.0° |
O43 | C44 | H441 | H443 | 120.0° | 120.0° |
O43 | C44 | H442 | H443 | 120.0° | 120.0° |
H441 | C44 | H442 | H443 | 120.0° | 120.0° |
C39 | C37 | N36 | H37 | 118.4° | 120.0° |
C37 | C39 | C48 | H391 | 120.0° | 120.0° |
C37 | C39 | C48 | H392 | 117.6° | 120.0° |
C37 | C39 | H391 | H392 | 117.8° | 120.0° |
C37 | C39 | C48 | C53 | 93.9° | 65.9° |
C37 | C39 | C48 | C51 | 145.7° | 174.2° |
C37 | C39 | C48 | H48 | 26.5° | 54.1° |
C39 | C37 | N36 | C27 | 49.0° | 155.0° |
C39 | C37 | N36 | HN36 | 131.0° | 25.0° |
N36 | C37 | C39 | C48 | 99.7° | 64.8° |
N36 | C37 | C39 | H391 | 140.3° | 175.2° |
N36 | C37 | C39 | H392 | 17.9° | 55.2° |
C37 | N36 | C27 | HN36 | 180.0° | 180.0° |
C37 | N36 | C27 | O35 | 1.3° | 0.0° |
C37 | N36 | C27 | C24 | 179.5° | 180.0° |
H37 | C37 | C39 | C48 | 19.8° | 55.2° |
H37 | C37 | C39 | H391 | 100.2° | 64.8° |
H37 | C37 | C39 | H392 | 137.3° | 175.2° |
H37 | C37 | N36 | C27 | 167.4° | 35.0° |
H37 | C37 | N36 | HN36 | 12.6° | 145.0° |
C48 | C39 | H391 | H392 | 117.8° | 120.0° |
C39 | C48 | C53 | C51 | 124.2° | 120.0° |
C39 | C48 | C53 | H48 | 116.3° | 120.0° |
C39 | C48 | C51 | H48 | 116.1° | 120.0° |
C39 | C48 | C53 | H531 | 64.9° | 60.0° |
C39 | C48 | C53 | H532 | 55.1° | 179.9° |
C39 | C48 | C53 | H533 | 175.1° | 60.0° |
C39 | C48 | C51 | H511 | 52.5° | 179.7° |
C39 | C48 | C51 | H512 | 172.5° | 59.6° |
C39 | C48 | C51 | H513 | 67.5° | 60.4° |
H391 | C39 | C48 | C53 | 146.1° | 54.1° |
H391 | C39 | C48 | C51 | 25.7° | 65.8° |
H391 | C39 | C48 | H48 | 93.5° | 174.1° |
H392 | C39 | C48 | C53 | 23.7° | 174.2° |
H392 | C39 | C48 | C51 | 96.7° | 54.2° |
H392 | C39 | C48 | H48 | 144.1° | 65.9° |
C53 | C48 | C51 | H48 | 120.6° | 120.0° |
C48 | C53 | H531 | H532 | 120.0° | 120.0° |
C48 | C53 | H531 | H533 | 120.0° | 120.0° |
C48 | C53 | H532 | H533 | 120.0° | 120.1° |
C53 | C48 | C51 | H511 | 70.7° | 59.7° |
C53 | C48 | C51 | H512 | 49.3° | 60.4° |
C53 | C48 | C51 | H513 | 169.3° | 179.6° |
C51 | C48 | C53 | H531 | 59.3° | 60.0° |
C51 | C48 | C53 | H532 | 179.3° | 59.9° |
C51 | C48 | C53 | H533 | 60.7° | 180.0° |
C48 | C51 | H511 | H512 | 120.0° | 120.1° |
C48 | C51 | H511 | H513 | 120.0° | 119.9° |
C48 | C51 | H512 | H513 | 120.0° | 120.0° |
H48 | C48 | C53 | H531 | 178.8° | 180.0° |
H48 | C48 | C53 | H532 | 61.2° | 60.0° |
H48 | C48 | C53 | H533 | 58.9° | 60.1° |
H48 | C48 | C51 | H511 | 168.7° | 60.3° |
H48 | C48 | C51 | H512 | 71.4° | 179.7° |
H48 | C48 | C51 | H513 | 48.7° | 59.7° |
H531 | C53 | H532 | H533 | 120.0° | 119.9° |
H511 | C51 | H512 | H513 | 120.0° | 120.0° |
N36 | C27 | O35 | C24 | 178.3° | 179.9° |
N36 | C27 | C24 | C28 | 86.2° | 60.1° |
N36 | C27 | C24 | N23 | 152.3° | 180.0° |
N36 | C27 | C24 | H24 | 33.2° | 60.0° |
HN36 | N36 | C27 | O35 | 178.7° | 180.0° |
HN36 | N36 | C27 | C24 | 0.5° | 0.0° |
O35 | C27 | C24 | C28 | 92.3° | 120.0° |
O35 | C27 | C24 | N23 | 29.3° | 0.0° |
O35 | C27 | C24 | H24 | 148.4° | 119.9° |
C27 | C24 | C28 | N23 | 120.3° | 119.9° |
C27 | C24 | C28 | H24 | 120.6° | 120.1° |
C27 | C24 | N23 | H24 | 120.6° | 120.0° |
C27 | C24 | C28 | H281 | 74.0° | 59.9° |
C27 | C24 | C28 | H282 | 166.0° | 60.0° |
C27 | C24 | C28 | H283 | 46.0° | 180.0° |
C27 | C24 | N23 | C20 | 154.9° | 155.0° |
C27 | C24 | N23 | HN23 | 25.1° | 25.0° |
C28 | C24 | N23 | H24 | 119.3° | 120.0° |
C24 | C28 | H281 | H282 | 120.0° | 119.9° |
C24 | C28 | H281 | H283 | 120.0° | 120.0° |
C24 | C28 | H282 | H283 | 120.0° | 119.9° |
C28 | C24 | N23 | C20 | 85.1° | 85.0° |
C28 | C24 | N23 | HN23 | 94.9° | 95.0° |
N23 | C24 | C28 | H281 | 165.7° | 60.0° |
N23 | C24 | C28 | H282 | 45.7° | 180.0° |
N23 | C24 | C28 | H283 | 74.3° | 60.1° |
C24 | N23 | C20 | HN23 | 180.0° | 180.0° |
C24 | N23 | C20 | O22 | 1.7° | 0.0° |
C24 | N23 | C20 | C14 | 179.5° | 180.0° |
H24 | C24 | C28 | H281 | 46.6° | 180.0° |
H24 | C24 | C28 | H282 | 73.4° | 60.0° |
H24 | C24 | C28 | H283 | 166.6° | 59.9° |
H24 | C24 | N23 | C20 | 34.3° | 35.0° |
H24 | C24 | N23 | HN23 | 145.8° | 145.0° |
H281 | C28 | H282 | H283 | 120.0° | 120.1° |
N23 | C20 | O22 | C14 | 178.8° | 180.0° |
N23 | C20 | C14 | O19 | 136.3° | 175.0° |
N23 | C20 | C14 | C7 | 112.1° | 65.0° |
N23 | C20 | C14 | H14 | 11.9° | 54.9° |
HN23 | N23 | C20 | O22 | 178.3° | 180.0° |
HN23 | N23 | C20 | C14 | 0.5° | 0.0° |
O22 | C20 | C14 | O19 | 44.8° | 5.0° |
O22 | C20 | C14 | C7 | 66.8° | 115.0° |
O22 | C20 | C14 | H14 | 169.2° | 125.0° |
C20 | C14 | O19 | C7 | 110.1° | 120.0° |
C20 | C14 | O19 | H14 | 125.5° | 120.0° |
C20 | C14 | C7 | H14 | 125.7° | 119.9° |
C20 | C14 | O19 | HO19 | 22.4° | 60.0° |
C20 | C14 | C7 | N15 | 165.7° | 55.1° |
C20 | C14 | C7 | C3 | 71.1° | 175.0° |
C20 | C14 | C7 | H7 | 50.6° | 65.0° |
O19 | C14 | C7 | H14 | 124.9° | 120.0° |
O19 | C14 | C7 | N15 | 56.4° | 65.0° |
O19 | C14 | C7 | C3 | 179.5° | 55.0° |
O19 | C14 | C7 | H7 | 58.8° | 175.0° |
C7 | C14 | O19 | HO19 | 87.7° | 60.0° |
C14 | C7 | N15 | C3 | 123.3° | 120.0° |
C14 | C7 | N15 | H7 | 114.9° | 120.0° |
C14 | C7 | C3 | H7 | 115.7° | 120.0° |
C14 | C7 | N15 | H151 | 44.7° | 60.0° |
C14 | C7 | N15 | H152 | 75.3° | 53.9° |
C14 | C7 | C3 | C6 | 72.0° | 100.0° |
C14 | C7 | C3 | C1 | 106.4° | 79.7° |
H14 | C14 | O19 | HO19 | 147.9° | 180.0° |
H14 | C14 | C7 | N15 | 68.6° | 175.0° |
H14 | C14 | C7 | C3 | 54.6° | 65.0° |
H14 | C14 | C7 | H7 | 176.3° | 55.0° |
N15 | C7 | C3 | H7 | 116.0° | 120.1° |
C7 | N15 | H151 | H152 | 120.0° | 113.8° |
N15 | C7 | C3 | C6 | 56.3° | 140.1° |
N15 | C7 | C3 | C1 | 125.3° | 40.3° |
C3 | C7 | N15 | H151 | 78.6° | 60.0° |
C3 | C7 | N15 | H152 | 161.4° | 173.8° |
C7 | C3 | C6 | C1 | 178.4° | 179.7° |
C7 | C3 | C6 | C2 | 178.7° | 180.0° |
C7 | C3 | C6 | H6 | 1.3° | 0.1° |
C7 | C3 | C1 | C4 | 178.6° | 179.8° |
C7 | C3 | C1 | H1 | 1.4° | 0.2° |
H7 | C7 | N15 | H151 | 159.6° | 180.0° |
H7 | C7 | N15 | H152 | 39.6° | 66.1° |
H7 | C7 | C3 | C6 | 172.3° | 20.0° |
H7 | C7 | C3 | C1 | 9.3° | 160.3° |
C3 | C6 | C2 | H6 | 180.0° | 179.9° |
C3 | C6 | C2 | C5 | 0.2° | 0.1° |
C3 | C6 | C2 | H2 | 179.8° | 180.0° |
C6 | C3 | C1 | C4 | 0.2° | 0.5° |
C6 | C3 | C1 | H1 | 179.8° | 179.9° |
C1 | C3 | C6 | C2 | 0.3° | 0.4° |
C1 | C3 | C6 | H6 | 179.7° | 179.7° |
C3 | C1 | C4 | C5 | 0.3° | 0.4° |
C3 | C1 | C4 | H1 | 180.0° | 179.6° |
C3 | C1 | C4 | H4 | 179.7° | 179.7° |
C6 | C2 | C5 | H2 | 180.0° | 179.9° |
C6 | C2 | C5 | C9 | 179.7° | 180.0° |
C6 | C2 | C5 | C4 | 0.7° | 0.0° |
H6 | C6 | C2 | C5 | 179.8° | 180.0° |
H6 | C6 | C2 | H2 | 0.2° | 0.0° |
C2 | C5 | C9 | C4 | 179.6° | 180.0° |
C2 | C5 | C9 | H91 | 14.7° | 90.1° |
C2 | C5 | C9 | H92 | 134.7° | 150.0° |
C2 | C5 | C9 | H93 | 105.3° | 30.0° |
C2 | C5 | C4 | C1 | 0.7° | 0.2° |
C2 | C5 | C4 | H4 | 179.3° | 180.0° |
H2 | C2 | C5 | C9 | 0.3° | 0.1° |
H2 | C2 | C5 | C4 | 179.3° | 180.0° |
C5 | C9 | H91 | H92 | 120.0° | 119.9° |
C5 | C9 | H91 | H93 | 120.0° | 120.0° |
C5 | C9 | H92 | H93 | 120.0° | 120.0° |
C9 | C5 | C4 | C1 | 179.6° | 179.9° |
C9 | C5 | C4 | H4 | 0.4° | 0.0° |
C4 | C5 | C9 | H91 | 165.6° | 90.0° |
C4 | C5 | C9 | H92 | 45.7° | 30.0° |
C4 | C5 | C9 | H93 | 74.4° | 150.0° |
C5 | C4 | C1 | H4 | 180.0° | 179.9° |
C5 | C4 | C1 | H1 | 179.7° | 180.0° |
H91 | C9 | H92 | H93 | 119.9° | 120.1° |
H4 | C4 | C1 | H1 | 0.3° | 0.1° |