ROY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CLAJ | CAD | sing | 1.74Å | 1.73Å | |
| NAT | CAK | sing | 1.35Å | 1.33Å | |
| CAA | CAD | doub | 1.38Å | 1.39Å | Aromatic |
| CAA | CAB | sing | 1.40Å | 1.39Å | Aromatic |
| CAD | CAE | sing | 1.40Å | 1.39Å | Aromatic |
| CAK | CAB | sing | 1.48Å | 1.53Å | |
| CAK | OAS | doub | 1.21Å | 1.23Å | |
| CAB | NAC | doub | 1.33Å | 1.34Å | Aromatic |
| CLAX | CAI | sing | 1.74Å | 1.73Å | |
| CAE | CAI | sing | 1.46Å | 1.39Å | Aromatic |
| CAE | CAF | doub | 1.41Å | 1.39Å | Aromatic |
| CAI | CAH | doub | 1.34Å | 1.39Å | Aromatic |
| NAC | CAF | sing | 1.32Å | 1.34Å | Aromatic |
| CAF | NAG | sing | 1.38Å | 1.33Å | Aromatic |
| CAH | NAG | sing | 1.37Å | 1.33Å | Aromatic |
| CAH | CAU | sing | 1.51Å | 1.53Å | |
| NAG | CAL | sing | 1.47Å | 1.47Å | |
| CAV | CAU | sing | 1.53Å | 1.53Å | |
| CAV | CAW | sing | 1.53Å | 1.53Å | |
| CAU | CAW | sing | 1.53Å | 1.53Å | |
| CAL | CAM | sing | 1.53Å | 1.53Å | |
| CAM | CAR | sing | 1.53Å | 1.53Å | |
| CAM | CAN | sing | 1.53Å | 1.53Å | |
| CAR | CAQ | sing | 1.53Å | 1.53Å | |
| CAQ | NAP | sing | 1.47Å | 1.47Å | |
| CAN | CAO | sing | 1.53Å | 1.53Å | |
| NAP | CAO | sing | 1.47Å | 1.47Å | |
| CAV | H1 | sing | 1.09Å | 1.10Å | |
| CAV | H2 | sing | 1.09Å | 1.10Å | |
| CAW | H3 | sing | 1.09Å | 1.10Å | |
| CAW | H4 | sing | 1.09Å | 1.10Å | |
| CAU | H5 | sing | 1.09Å | 1.10Å | |
| CAA | H6 | sing | 1.08Å | 1.08Å | |
| NAT | H7 | sing | 0.97Å | 1.00Å | |
| NAT | H8 | sing | 0.97Å | 1.00Å | |
| CAL | H9 | sing | 1.09Å | 1.10Å | |
| CAL | H10 | sing | 1.09Å | 1.10Å | |
| CAM | H11 | sing | 1.09Å | 1.10Å | |
| CAR | H12 | sing | 1.09Å | 1.10Å | |
| CAR | H13 | sing | 1.09Å | 1.10Å | |
| CAQ | H14 | sing | 1.09Å | 1.10Å | |
| CAQ | H15 | sing | 1.09Å | 1.10Å | |
| NAP | H16 | sing | 1.01Å | 1.00Å | |
| CAO | H18 | sing | 1.09Å | 1.10Å | |
| CAO | H19 | sing | 1.09Å | 1.10Å | |
| CAN | H20 | sing | 1.09Å | 1.10Å | |
| CAN | H21 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CLAJ | CAD | CAA | 119.0° | 120.9° |
| CLAJ | CAD | CAE | 121.5° | 120.9° |
| NAT | CAK | CAB | 115.6° | 120.0° |
| NAT | CAK | OAS | 124.1° | 120.0° |
| CAK | NAT | H7 | 120.0° | 120.0° |
| CAK | NAT | H8 | 120.0° | 120.0° |
| CAD | CAA | CAB | 119.1° | 119.2° |
| CAA | CAD | CAE | 119.5° | 118.2° |
| CAD | CAA | H6 | 120.4° | 120.4° |
| CAA | CAB | CAK | 120.9° | 119.3° |
| CAA | CAB | NAC | 120.1° | 121.4° |
| CAB | CAA | H6 | 120.4° | 120.4° |
| CAD | CAE | CAI | 135.0° | 134.2° |
| CAD | CAE | CAF | 119.2° | 119.6° |
| CAB | CAK | OAS | 120.3° | 120.0° |
| CAK | CAB | NAC | 118.9° | 119.3° |
| CAB | NAC | CAF | 122.2° | 121.6° |
| CLAX | CAI | CAE | 126.5° | 126.6° |
| CLAX | CAI | CAH | 126.1° | 126.6° |
| CAI | CAE | CAF | 105.8° | 106.2° |
| CAE | CAI | CAH | 107.4° | 106.9° |
| CAE | CAF | NAC | 119.9° | 120.0° |
| CAE | CAF | NAG | 108.5° | 106.9° |
| CAI | CAH | NAG | 107.7° | 110.0° |
| CAI | CAH | CAU | 126.6° | 125.0° |
| NAC | CAF | NAG | 131.6° | 133.1° |
| CAF | NAG | CAH | 110.6° | 110.0° |
| CAF | NAG | CAL | 124.4° | 125.0° |
| NAG | CAH | CAU | 125.6° | 125.0° |
| CAH | NAG | CAL | 125.1° | 125.0° |
| CAH | CAU | CAV | 116.7° | 117.5° |
| CAH | CAU | CAW | 115.0° | 117.5° |
| CAH | CAU | H5 | 117.5° | 115.6° |
| NAG | CAL | CAM | 113.1° | 109.5° |
| NAG | CAL | H9 | 108.5° | 109.5° |
| NAG | CAL | H10 | 108.6° | 109.4° |
| CAU | CAV | CAW | 60.0° | 60.0° |
| CAV | CAU | CAW | 60.0° | 60.0° |
| CAU | CAV | H1 | 120.0° | 117.5° |
| CAU | CAV | H2 | 120.0° | 117.4° |
| CAV | CAU | H5 | 117.5° | 117.5° |
| CAV | CAW | CAU | 60.0° | 60.0° |
| CAW | CAV | H1 | 120.0° | 117.6° |
| CAW | CAV | H2 | 120.0° | 117.5° |
| CAV | CAW | H3 | 120.0° | 117.5° |
| CAV | CAW | H4 | 120.0° | 117.5° |
| CAU | CAW | H3 | 120.0° | 117.5° |
| CAU | CAW | H4 | 120.0° | 117.5° |
| CAW | CAU | H5 | 117.6° | 117.5° |
| CAL | CAM | CAR | 113.1° | 109.5° |
| CAL | CAM | CAN | 109.7° | 109.5° |
| CAM | CAL | H9 | 108.6° | 109.5° |
| CAM | CAL | H10 | 108.5° | 109.5° |
| CAL | CAM | H11 | 107.9° | 109.5° |
| CAR | CAM | CAN | 110.2° | 109.2° |
| CAM | CAR | CAQ | 109.9° | 109.3° |
| CAR | CAM | H11 | 107.9° | 109.5° |
| CAM | CAR | H12 | 109.4° | 109.5° |
| CAM | CAR | H13 | 109.4° | 109.5° |
| CAM | CAN | CAO | 111.1° | 109.3° |
| CAN | CAM | H11 | 107.9° | 109.6° |
| CAM | CAN | H20 | 109.1° | 109.5° |
| CAM | CAN | H21 | 109.1° | 109.5° |
| CAR | CAQ | NAP | 111.5° | 109.5° |
| CAQ | CAR | H12 | 109.4° | 109.5° |
| CAQ | CAR | H13 | 109.4° | 109.5° |
| CAR | CAQ | H14 | 108.9° | 109.5° |
| CAR | CAQ | H15 | 109.0° | 109.5° |
| CAQ | NAP | CAO | 112.0° | 111.2° |
| NAP | CAQ | H14 | 109.0° | 109.5° |
| NAP | CAQ | H15 | 109.0° | 109.4° |
| CAQ | NAP | H16 | 108.8° | 111.0° |
| CAN | CAO | NAP | 109.4° | 109.5° |
| CAN | CAO | H18 | 109.5° | 109.5° |
| CAN | CAO | H19 | 109.5° | 109.5° |
| CAO | CAN | H20 | 109.1° | 109.5° |
| CAO | CAN | H21 | 109.1° | 109.5° |
| CAO | NAP | H16 | 108.8° | 111.0° |
| NAP | CAO | H18 | 109.5° | 109.4° |
| NAP | CAO | H19 | 109.5° | 109.5° |
| H1 | CAV | H2 | 109.5° | 115.5° |
| H3 | CAW | H4 | 109.5° | 115.5° |
| H7 | NAT | H8 | 120.0° | 120.0° |
| H9 | CAL | H10 | 109.5° | 109.5° |
| H12 | CAR | H13 | 109.5° | 109.6° |
| H14 | CAQ | H15 | 109.5° | 109.4° |
| H18 | CAO | H19 | 109.5° | 109.4° |
| H20 | CAN | H21 | 109.4° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CLAJ | CAD | CAA | CAE | 179.3° | 180.0° |
| CLAJ | CAD | CAA | CAB | 179.1° | 179.9° |
| CLAJ | CAD | CAE | CAI | 2.4° | 0.0° |
| CLAJ | CAD | CAE | CAF | 178.8° | 180.0° |
| CLAJ | CAD | CAA | H6 | 0.9° | 0.0° |
| NAT | CAK | CAB | CAA | 1.7° | 180.0° |
| NAT | CAK | CAB | OAS | 179.4° | 180.0° |
| NAT | CAK | CAB | NAC | 179.9° | 0.0° |
| CAK | NAT | H7 | H8 | 180.0° | 180.0° |
| CAD | CAA | CAB | H6 | 180.0° | 179.9° |
| CAD | CAA | CAB | CAK | 178.1° | 180.0° |
| CAD | CAA | CAB | NAC | 0.2° | 0.1° |
| CAA | CAD | CAE | CAI | 178.3° | 180.0° |
| CAA | CAD | CAE | CAF | 0.5° | 0.1° |
| CAB | CAA | CAD | CAE | 0.2° | 0.1° |
| CAA | CAB | CAK | NAC | 178.4° | 179.9° |
| CAA | CAB | CAK | OAS | 177.7° | 0.1° |
| CAA | CAB | NAC | CAF | 0.4° | 0.0° |
| CAD | CAE | CAI | CLAX | 0.3° | 0.1° |
| CAD | CAE | CAI | CAF | 178.9° | 179.9° |
| CAD | CAE | CAI | CAH | 179.1° | 180.0° |
| CAD | CAE | CAF | NAC | 0.4° | 0.0° |
| CAD | CAE | CAF | NAG | 179.4° | 180.0° |
| CAE | CAD | CAA | H6 | 179.8° | 180.0° |
| CAK | CAB | NAC | CAF | 178.0° | 180.0° |
| CAK | CAB | CAA | H6 | 1.9° | 0.0° |
| CAB | CAK | NAT | H7 | 179.4° | 0.0° |
| CAB | CAK | NAT | H8 | 0.7° | 180.0° |
| OAS | CAK | CAB | NAC | 0.7° | 180.0° |
| OAS | CAK | NAT | H7 | 0.0° | 180.0° |
| OAS | CAK | NAT | H8 | 180.0° | 0.0° |
| CAB | NAC | CAF | CAE | 0.1° | 0.0° |
| CAB | NAC | CAF | NAG | 178.7° | 180.0° |
| NAC | CAB | CAA | H6 | 179.8° | 180.0° |
| CLAX | CAI | CAE | CAH | 179.4° | 180.0° |
| CLAX | CAI | CAE | CAF | 179.2° | 180.0° |
| CLAX | CAI | CAH | NAG | 179.4° | 180.0° |
| CLAX | CAI | CAH | CAU | 3.4° | 0.3° |
| CAI | CAE | CAF | NAC | 178.7° | 180.0° |
| CAI | CAE | CAF | NAG | 0.3° | 0.0° |
| CAE | CAI | CAH | NAG | 0.1° | 0.0° |
| CAE | CAI | CAH | CAU | 177.2° | 179.8° |
| CAF | CAE | CAI | CAH | 0.2° | 0.0° |
| CAE | CAF | NAC | NAG | 178.7° | 180.0° |
| CAE | CAF | NAG | CAH | 0.2° | 0.0° |
| CAE | CAF | NAG | CAL | 179.7° | 179.7° |
| CAI | CAH | NAG | CAF | 0.1° | 0.0° |
| CAI | CAH | NAG | CAU | 177.3° | 179.8° |
| CAI | CAH | NAG | CAL | 179.8° | 179.7° |
| CAI | CAH | CAU | CAV | 38.7° | 50.9° |
| CAI | CAH | CAU | CAW | 106.2° | 17.7° |
| CAI | CAH | CAU | H5 | 109.0° | 163.3° |
| NAC | CAF | NAG | CAH | 178.6° | 180.0° |
| NAC | CAF | NAG | CAL | 1.4° | 0.3° |
| CAF | NAG | CAH | CAL | 180.0° | 179.7° |
| CAF | NAG | CAH | CAU | 177.4° | 179.7° |
| CAF | NAG | CAL | CAM | 70.8° | 90.3° |
| CAF | NAG | CAL | H9 | 49.8° | 29.7° |
| CAF | NAG | CAL | H10 | 168.7° | 149.7° |
| NAG | CAH | CAU | CAV | 144.5° | 128.8° |
| NAG | CAH | CAU | CAW | 77.0° | 162.6° |
| CAH | NAG | CAL | CAM | 109.3° | 90.0° |
| NAG | CAH | CAU | H5 | 67.8° | 17.0° |
| CAH | NAG | CAL | H9 | 130.2° | 149.9° |
| CAH | NAG | CAL | H10 | 11.3° | 30.0° |
| CAU | CAH | NAG | CAL | 2.5° | 0.0° |
| CAH | CAU | CAV | CAW | 104.8° | 107.5° |
| CAH | CAU | CAV | H5 | 147.6° | 145.1° |
| CAH | CAU | CAW | H5 | 144.8° | 145.0° |
| CAH | CAU | CAV | H1 | 145.8° | 0.1° |
| CAH | CAU | CAV | H2 | 4.7° | 145.0° |
| CAH | CAU | CAW | H3 | 142.9° | 145.0° |
| CAH | CAU | CAW | H4 | 1.9° | 0.0° |
| NAG | CAL | CAM | H9 | 120.5° | 120.0° |
| NAG | CAL | CAM | H10 | 120.6° | 119.9° |
| NAG | CAL | CAM | CAR | 49.0° | 175.0° |
| NAG | CAL | CAM | CAN | 172.5° | 65.3° |
| NAG | CAL | H9 | H10 | 118.3° | 119.9° |
| NAG | CAL | CAM | H11 | 70.3° | 54.9° |
| CAU | CAV | CAW | H1 | 109.5° | 107.5° |
| CAU | CAV | CAW | H2 | 109.4° | 107.4° |
| CAV | CAU | CAW | H5 | 107.5° | 107.5° |
| CAU | CAV | H1 | H2 | 144.8° | 145.6° |
| CAU | CAV | CAW | H3 | 109.5° | 107.5° |
| CAU | CAV | CAW | H4 | 109.5° | 107.5° |
| CAW | CAV | H1 | H2 | 144.7° | 145.7° |
| CAV | CAW | H3 | H4 | 144.7° | 145.6° |
| CAU | CAW | H3 | H4 | 144.7° | 145.7° |
| CAL | CAM | CAR | CAN | 123.2° | 119.9° |
| CAL | CAM | CAR | H11 | 119.3° | 120.1° |
| CAL | CAM | CAN | H11 | 117.3° | 120.2° |
| CAL | CAM | CAR | CAQ | 173.2° | 177.5° |
| CAL | CAM | CAN | CAO | 151.9° | 177.5° |
| CAM | CAL | H9 | H10 | 118.3° | 120.1° |
| CAL | CAM | CAR | H12 | 66.7° | 57.6° |
| CAL | CAM | CAR | H13 | 53.2° | 62.5° |
| CAL | CAM | CAN | H20 | 87.8° | 62.5° |
| CAL | CAM | CAN | H21 | 31.6° | 57.6° |
| CAR | CAM | CAN | H11 | 117.5° | 119.9° |
| CAM | CAR | CAQ | H12 | 120.1° | 119.9° |
| CAM | CAR | CAQ | H13 | 120.1° | 119.9° |
| CAM | CAR | CAQ | NAP | 33.3° | 59.1° |
| CAR | CAM | CAN | CAO | 26.7° | 57.7° |
| CAR | CAM | CAL | H9 | 169.5° | 65.0° |
| CAR | CAM | CAL | H10 | 71.6° | 55.1° |
| CAM | CAR | H12 | H13 | 119.8° | 120.1° |
| CAM | CAR | CAQ | H14 | 153.6° | 179.2° |
| CAM | CAR | CAQ | H15 | 87.0° | 60.9° |
| CAR | CAM | CAN | H20 | 147.0° | 177.6° |
| CAR | CAM | CAN | H21 | 93.6° | 62.3° |
| CAN | CAM | CAR | CAQ | 63.6° | 57.6° |
| CAM | CAN | CAO | H20 | 120.3° | 119.9° |
| CAM | CAN | CAO | H21 | 120.2° | 119.9° |
| CAM | CAN | CAO | NAP | 36.0° | 59.2° |
| CAN | CAM | CAL | H9 | 67.0° | 54.7° |
| CAN | CAM | CAL | H10 | 51.9° | 174.7° |
| CAN | CAM | CAR | H12 | 56.5° | 62.3° |
| CAN | CAM | CAR | H13 | 176.4° | 177.5° |
| CAM | CAN | CAO | H18 | 156.0° | 179.2° |
| CAM | CAN | CAO | H19 | 84.0° | 60.9° |
| CAM | CAN | H20 | H21 | 119.2° | 120.1° |
| CAR | CAQ | NAP | H14 | 120.3° | 120.1° |
| CAR | CAQ | NAP | H15 | 120.3° | 120.0° |
| CAR | CAQ | NAP | CAO | 31.1° | 61.7° |
| CAQ | CAR | CAM | H11 | 54.0° | 62.3° |
| CAQ | CAR | H12 | H13 | 119.8° | 120.1° |
| CAR | CAQ | H14 | H15 | 119.1° | 119.9° |
| CAR | CAQ | NAP | H16 | 151.4° | 62.4° |
| CAQ | NAP | CAO | CAN | 69.0° | 61.7° |
| CAQ | NAP | CAO | H16 | 120.4° | 124.0° |
| NAP | CAQ | CAR | H12 | 86.7° | 60.8° |
| NAP | CAQ | CAR | H13 | 153.4° | 179.0° |
| NAP | CAQ | H14 | H15 | 119.1° | 120.0° |
| CAQ | NAP | CAO | H18 | 171.1° | 178.3° |
| CAQ | NAP | CAO | H19 | 51.0° | 58.3° |
| CAN | CAO | NAP | H18 | 120.0° | 120.0° |
| CAN | CAO | NAP | H19 | 120.0° | 120.1° |
| CAO | CAN | CAM | H11 | 90.8° | 62.3° |
| CAN | CAO | NAP | H16 | 170.7° | 62.3° |
| CAN | CAO | H18 | H19 | 120.0° | 120.0° |
| CAO | CAN | H20 | H21 | 119.3° | 120.1° |
| CAO | NAP | CAQ | H14 | 89.2° | 178.2° |
| CAO | NAP | CAQ | H15 | 151.4° | 58.3° |
| NAP | CAO | H18 | H19 | 120.1° | 120.0° |
| NAP | CAO | CAN | H20 | 84.2° | 179.1° |
| NAP | CAO | CAN | H21 | 156.3° | 60.7° |
| H1 | CAV | CAW | H3 | 0.0° | 145.0° |
| H1 | CAV | CAW | H4 | 141.1° | 0.0° |
| H1 | CAV | CAU | H5 | 1.9° | 145.0° |
| H2 | CAV | CAW | H3 | 141.1° | 0.1° |
| H2 | CAV | CAW | H4 | 0.0° | 145.0° |
| H2 | CAV | CAU | H5 | 143.0° | 0.1° |
| H3 | CAW | CAU | H5 | 2.0° | 0.0° |
| H4 | CAW | CAU | H5 | 143.0° | 145.0° |
| H9 | CAL | CAM | H11 | 50.3° | 174.9° |
| H10 | CAL | CAM | H11 | 169.2° | 65.0° |
| H11 | CAM | CAR | H12 | 174.1° | 177.7° |
| H11 | CAM | CAR | H13 | 66.1° | 57.6° |
| H11 | CAM | CAN | H20 | 29.4° | 57.7° |
| H11 | CAM | CAN | H21 | 148.9° | 177.8° |
| H12 | CAR | CAQ | H14 | 33.5° | 59.3° |
| H12 | CAR | CAQ | H15 | 152.9° | 179.2° |
| H13 | CAR | CAQ | H14 | 86.3° | 60.9° |
| H13 | CAR | CAQ | H15 | 33.1° | 59.0° |
| H14 | CAQ | NAP | H16 | 31.2° | 57.7° |
| H15 | CAQ | NAP | H16 | 88.2° | 177.6° |
| H16 | NAP | CAO | H18 | 50.7° | 57.7° |
| H16 | NAP | CAO | H19 | 69.3° | 177.6° |
| H18 | CAO | CAN | H20 | 35.8° | 60.9° |
| H18 | CAO | CAN | H21 | 83.7° | 59.3° |
| H19 | CAO | CAN | H20 | 155.8° | 59.0° |
| H19 | CAO | CAN | H21 | 36.3° | 179.2° |
