H9Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O0Q | C0K | doub | 1.22Å | 1.23Å | |
| C0K | N0M | sing | 1.35Å | 1.36Å | |
| C0K | N0H | sing | 1.35Å | 1.38Å | |
| C0E | C0D | sing | 1.53Å | 1.55Å | |
| C0E | N0H | sing | 1.47Å | 1.48Å | |
| C0D | O0B | sing | 1.43Å | 1.42Å | |
| N0M | C0N | sing | 1.35Å | 1.35Å | |
| N0H | C0P | sing | 1.37Å | 1.42Å | |
| F07 | C01 | sing | 1.35Å | 1.35Å | |
| C00 | C01 | doub | 1.38Å | 1.41Å | Aromatic |
| C00 | C05 | sing | 1.39Å | 1.43Å | Aromatic |
| C0N | O0S | doub | 1.22Å | 1.23Å | |
| C0N | C0O | sing | 1.42Å | 1.47Å | |
| C0P | C0O | doub | 1.35Å | 1.36Å | |
| O0B | C05 | sing | 1.36Å | 1.38Å | |
| C01 | C02 | sing | 1.39Å | 1.41Å | Aromatic |
| C05 | C04 | doub | 1.39Å | 1.42Å | Aromatic |
| C02 | C03 | doub | 1.38Å | 1.41Å | Aromatic |
| C04 | C03 | sing | 1.39Å | 1.42Å | Aromatic |
| C04 | O0A | sing | 1.36Å | 1.37Å | |
| F13 | C0Y | sing | 1.35Å | 1.34Å | |
| C0Z | C0Y | sing | 1.41Å | 1.45Å | Aromatic |
| C0Z | C0C | doub | 1.36Å | 1.42Å | Aromatic |
| O0A | C0C | sing | 1.36Å | 1.38Å | |
| C0Y | C0X | doub | 1.35Å | 1.35Å | Aromatic |
| C0C | C0V | sing | 1.42Å | 1.43Å | Aromatic |
| C0X | N0W | sing | 1.38Å | 1.38Å | Aromatic |
| C0V | N0W | sing | 1.38Å | 1.39Å | Aromatic |
| C0V | C10 | doub | 1.38Å | 1.42Å | Aromatic |
| N0W | C11 | sing | 1.36Å | 1.38Å | Aromatic |
| C10 | C14 | sing | 1.41Å | 1.42Å | Aromatic |
| C11 | C14 | doub | 1.38Å | 1.37Å | Aromatic |
| C14 | C16 | sing | 1.43Å | 1.45Å | |
| C16 | N19 | trip | 1.14Å | 1.15Å | |
| C00 | H1 | sing | 1.08Å | 1.08Å | |
| C02 | H2 | sing | 1.08Å | 1.08Å | |
| C03 | H3 | sing | 1.08Å | 1.08Å | |
| C0D | H4 | sing | 1.09Å | 1.10Å | |
| C0D | H5 | sing | 1.09Å | 1.10Å | |
| C0E | H6 | sing | 1.09Å | 1.10Å | |
| C0E | H7 | sing | 1.09Å | 1.10Å | |
| C0O | H8 | sing | 1.08Å | 1.08Å | |
| C0P | H9 | sing | 1.08Å | 1.08Å | |
| C0X | H10 | sing | 1.08Å | 1.08Å | |
| C0Z | H11 | sing | 1.08Å | 1.08Å | |
| C10 | H12 | sing | 1.08Å | 1.08Å | |
| C11 | H13 | sing | 1.08Å | 1.08Å | |
| N0M | H14 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O0Q | C0K | N0M | 119.9° | 119.5° |
| O0Q | C0K | N0H | 124.1° | 119.6° |
| N0M | C0K | N0H | 116.0° | 120.9° |
| C0K | N0M | C0N | 128.1° | 120.2° |
| C0K | N0M | H14 | 115.9° | 119.9° |
| C0K | N0H | C0E | 123.1° | 119.6° |
| C0K | N0H | C0P | 121.0° | 120.7° |
| C0D | C0E | N0H | 113.1° | 109.5° |
| C0E | C0D | O0B | 109.4° | 109.5° |
| C0E | C0D | H4 | 109.5° | 109.5° |
| C0E | C0D | H5 | 109.5° | 109.5° |
| C0D | C0E | H6 | 108.6° | 109.5° |
| C0D | C0E | H7 | 108.6° | 109.4° |
| C0E | N0H | C0P | 115.9° | 119.7° |
| N0H | C0E | H6 | 108.6° | 109.5° |
| N0H | C0E | H7 | 108.5° | 109.5° |
| C0D | O0B | C05 | 120.0° | 117.0° |
| O0B | C0D | H4 | 109.5° | 109.5° |
| O0B | C0D | H5 | 109.5° | 109.5° |
| N0M | C0N | O0S | 121.1° | 120.3° |
| N0M | C0N | C0O | 114.8° | 119.4° |
| C0N | N0M | H14 | 115.9° | 119.9° |
| N0H | C0P | C0O | 120.6° | 119.7° |
| N0H | C0P | H9 | 119.7° | 120.1° |
| F07 | C01 | C00 | 119.5° | 119.9° |
| F07 | C01 | C02 | 120.4° | 119.9° |
| C01 | C00 | C05 | 120.3° | 120.0° |
| C00 | C01 | C02 | 120.1° | 120.1° |
| C01 | C00 | H1 | 119.9° | 120.0° |
| C00 | C05 | O0B | 124.5° | 120.1° |
| C00 | C05 | C04 | 119.0° | 119.9° |
| C05 | C00 | H1 | 119.8° | 120.0° |
| O0S | C0N | C0O | 124.1° | 120.3° |
| C0N | C0O | C0P | 119.5° | 119.1° |
| C0N | C0O | H8 | 120.3° | 120.5° |
| C0P | C0O | H8 | 120.2° | 120.4° |
| C0O | C0P | H9 | 119.7° | 120.2° |
| O0B | C05 | C04 | 116.5° | 120.1° |
| C01 | C02 | C03 | 120.2° | 120.1° |
| C01 | C02 | H2 | 119.9° | 119.9° |
| C05 | C04 | C03 | 120.6° | 119.9° |
| C05 | C04 | O0A | 119.1° | 120.0° |
| C02 | C03 | C04 | 119.8° | 120.0° |
| C03 | C02 | H2 | 119.9° | 120.0° |
| C02 | C03 | H3 | 120.1° | 120.0° |
| C03 | C04 | O0A | 120.3° | 120.1° |
| C04 | C03 | H3 | 120.1° | 120.0° |
| C04 | O0A | C0C | 122.5° | 117.9° |
| F13 | C0Y | C0Z | 119.5° | 119.7° |
| F13 | C0Y | C0X | 122.8° | 119.8° |
| C0Y | C0Z | C0C | 121.7° | 119.7° |
| C0Z | C0Y | C0X | 117.8° | 120.5° |
| C0Y | C0Z | H11 | 119.2° | 120.1° |
| C0Z | C0C | O0A | 123.2° | 120.3° |
| C0Z | C0C | C0V | 119.1° | 119.3° |
| C0C | C0Z | H11 | 119.2° | 120.2° |
| O0A | C0C | C0V | 117.6° | 120.4° |
| C0Y | C0X | N0W | 120.2° | 120.8° |
| C0Y | C0X | H10 | 119.9° | 119.6° |
| C0C | C0V | N0W | 115.4° | 119.8° |
| C0C | C0V | C10 | 137.3° | 131.9° |
| C0X | N0W | C0V | 125.8° | 119.9° |
| C0X | N0W | C11 | 125.1° | 131.3° |
| N0W | C0X | H10 | 119.9° | 119.6° |
| N0W | C0V | C10 | 107.3° | 108.3° |
| C0V | N0W | C11 | 109.1° | 108.8° |
| C0V | C10 | C14 | 106.3° | 107.0° |
| C0V | C10 | H12 | 126.9° | 126.5° |
| N0W | C11 | C14 | 108.7° | 108.6° |
| N0W | C11 | H13 | 125.6° | 125.6° |
| C10 | C14 | C11 | 108.7° | 107.3° |
| C10 | C14 | C16 | 122.0° | 126.4° |
| C14 | C10 | H12 | 126.9° | 126.5° |
| C11 | C14 | C16 | 129.3° | 126.3° |
| C14 | C11 | H13 | 125.7° | 125.7° |
| C14 | C16 | N19 | 179.6° | 180.0° |
| H4 | C0D | H5 | 109.4° | 109.5° |
| H6 | C0E | H7 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O0Q | C0K | N0M | N0H | 180.0° | 179.7° |
| O0Q | C0K | N0H | C0E | 0.1° | 0.3° |
| O0Q | C0K | N0M | C0N | 179.9° | 179.7° |
| O0Q | C0K | N0H | C0P | 180.0° | 179.8° |
| O0Q | C0K | N0M | H14 | 0.0° | 0.3° |
| N0M | C0K | N0H | C0E | 179.9° | 180.0° |
| C0K | N0M | C0N | H14 | 180.0° | 180.0° |
| N0M | C0K | N0H | C0P | 0.0° | 0.1° |
| C0K | N0M | C0N | O0S | 179.9° | 179.9° |
| C0K | N0M | C0N | C0O | 0.0° | 0.0° |
| C0K | N0H | C0E | C0D | 66.5° | 90.0° |
| C0K | N0H | C0E | C0P | 179.9° | 180.0° |
| N0H | C0K | N0M | C0N | 0.0° | 0.1° |
| C0K | N0H | C0P | C0O | 0.1° | 0.1° |
| C0K | N0H | C0E | H6 | 173.0° | 30.0° |
| C0K | N0H | C0E | H7 | 54.1° | 150.0° |
| C0K | N0H | C0P | H9 | 179.9° | 180.0° |
| N0H | C0K | N0M | H14 | 180.0° | 180.0° |
| C0D | C0E | N0H | H6 | 120.5° | 120.0° |
| C0D | C0E | N0H | H7 | 120.6° | 120.0° |
| C0E | C0D | O0B | H4 | 120.0° | 120.0° |
| C0E | C0D | O0B | H5 | 120.0° | 120.0° |
| C0D | C0E | N0H | C0P | 113.6° | 90.0° |
| C0E | C0D | O0B | C05 | 165.0° | 180.0° |
| C0E | C0D | H4 | H5 | 120.0° | 120.0° |
| C0D | C0E | H6 | H7 | 118.4° | 120.0° |
| N0H | C0E | C0D | O0B | 69.6° | 65.0° |
| C0E | N0H | C0P | C0O | 180.0° | 180.0° |
| N0H | C0E | C0D | H4 | 50.4° | 175.0° |
| N0H | C0E | C0D | H5 | 170.4° | 55.0° |
| N0H | C0E | H6 | H7 | 118.3° | 120.0° |
| C0E | N0H | C0P | H9 | 0.0° | 0.0° |
| C0D | O0B | C05 | C00 | 3.9° | 0.1° |
| C0D | O0B | C05 | C04 | 176.2° | 179.9° |
| O0B | C0D | H4 | H5 | 120.0° | 120.0° |
| O0B | C0D | C0E | H6 | 51.0° | 175.0° |
| O0B | C0D | C0E | H7 | 169.9° | 55.0° |
| N0M | C0N | O0S | C0O | 180.0° | 179.9° |
| N0M | C0N | C0O | C0P | 0.0° | 0.0° |
| N0M | C0N | C0O | H8 | 180.0° | 180.0° |
| N0H | C0P | C0O | C0N | 0.1° | 0.0° |
| N0H | C0P | C0O | H9 | 180.0° | 180.0° |
| C0P | N0H | C0E | H6 | 7.0° | 150.0° |
| C0P | N0H | C0E | H7 | 125.9° | 30.0° |
| N0H | C0P | C0O | H8 | 179.9° | 180.0° |
| F07 | C01 | C00 | C02 | 180.0° | 180.0° |
| F07 | C01 | C00 | C05 | 180.0° | 180.0° |
| F07 | C01 | C02 | C03 | 180.0° | 179.9° |
| F07 | C01 | C00 | H1 | 0.0° | 0.3° |
| F07 | C01 | C02 | H2 | 0.0° | 0.1° |
| C01 | C00 | C05 | H1 | 180.0° | 179.7° |
| C01 | C00 | C05 | O0B | 179.9° | 180.0° |
| C01 | C00 | C05 | C04 | 0.0° | 0.0° |
| C00 | C01 | C02 | C03 | 0.0° | 0.0° |
| C00 | C01 | C02 | H2 | 180.0° | 179.9° |
| C00 | C05 | O0B | C04 | 179.9° | 180.0° |
| C05 | C00 | C01 | C02 | 0.0° | 0.0° |
| C00 | C05 | C04 | C03 | 0.0° | 0.0° |
| C00 | C05 | C04 | O0A | 180.0° | 180.0° |
| O0S | C0N | C0O | C0P | 180.0° | 180.0° |
| O0S | C0N | C0O | H8 | 0.0° | 0.0° |
| O0S | C0N | N0M | H14 | 0.0° | 0.0° |
| C0N | C0O | C0P | H8 | 180.0° | 180.0° |
| C0N | C0O | C0P | H9 | 179.9° | 180.0° |
| C0O | C0N | N0M | H14 | 180.0° | 180.0° |
| O0B | C05 | C04 | C03 | 179.9° | 180.0° |
| O0B | C05 | C04 | O0A | 0.1° | 0.0° |
| O0B | C05 | C00 | H1 | 0.1° | 0.3° |
| C05 | O0B | C0D | H4 | 45.1° | 60.0° |
| C05 | O0B | C0D | H5 | 75.0° | 60.0° |
| C01 | C02 | C03 | H2 | 180.0° | 179.9° |
| C01 | C02 | C03 | C04 | 0.0° | 0.1° |
| C02 | C01 | C00 | H1 | 180.0° | 179.7° |
| C01 | C02 | C03 | H3 | 180.0° | 180.0° |
| C05 | C04 | C03 | C02 | 0.0° | 0.1° |
| C05 | C04 | C03 | O0A | 180.0° | 179.9° |
| C05 | C04 | O0A | C0C | 97.4° | 174.3° |
| C04 | C05 | C00 | H1 | 180.0° | 179.7° |
| C05 | C04 | C03 | H3 | 180.0° | 180.0° |
| C02 | C03 | C04 | H3 | 180.0° | 179.9° |
| C02 | C03 | C04 | O0A | 180.0° | 180.0° |
| C03 | C04 | O0A | C0C | 82.6° | 5.8° |
| C04 | C03 | C02 | H2 | 180.0° | 180.0° |
| C04 | O0A | C0C | C0Z | 9.0° | 113.1° |
| C04 | O0A | C0C | C0V | 171.1° | 67.2° |
| O0A | C04 | C03 | H3 | 0.1° | 0.1° |
| F13 | C0Y | C0Z | C0X | 179.9° | 180.0° |
| F13 | C0Y | C0Z | C0C | 179.9° | 180.0° |
| F13 | C0Y | C0X | N0W | 179.9° | 180.0° |
| F13 | C0Y | C0X | H10 | 0.0° | 0.0° |
| F13 | C0Y | C0Z | H11 | 0.1° | 0.1° |
| C0Y | C0Z | C0C | H11 | 180.0° | 180.0° |
| C0Y | C0Z | C0C | O0A | 180.0° | 179.7° |
| C0Y | C0Z | C0C | C0V | 0.0° | 0.0° |
| C0Z | C0Y | C0X | N0W | 0.0° | 0.0° |
| C0Z | C0Y | C0X | H10 | 179.9° | 180.0° |
| C0Z | C0C | O0A | C0V | 180.0° | 179.7° |
| C0C | C0Z | C0Y | C0X | 0.0° | 0.0° |
| C0Z | C0C | C0V | N0W | 0.0° | 0.0° |
| C0Z | C0C | C0V | C10 | 179.8° | 180.0° |
| O0A | C0C | C0V | N0W | 180.0° | 179.7° |
| O0A | C0C | C0V | C10 | 0.2° | 0.3° |
| O0A | C0C | C0Z | H11 | 0.0° | 0.3° |
| C0Y | C0X | N0W | H10 | 180.0° | 180.0° |
| C0Y | C0X | N0W | C0V | 0.1° | 0.0° |
| C0Y | C0X | N0W | C11 | 179.9° | 179.9° |
| C0X | C0Y | C0Z | H11 | 180.0° | 180.0° |
| C0C | C0V | N0W | C0X | 0.0° | 0.1° |
| C0C | C0V | N0W | C10 | 179.8° | 180.0° |
| C0C | C0V | N0W | C11 | 179.9° | 180.0° |
| C0C | C0V | C10 | C14 | 179.8° | 180.0° |
| C0V | C0C | C0Z | H11 | 180.0° | 179.9° |
| C0C | C0V | C10 | H12 | 0.2° | 0.0° |
| C0X | N0W | C0V | C11 | 179.8° | 179.9° |
| C0X | N0W | C0V | C10 | 179.8° | 180.0° |
| C0X | N0W | C11 | C14 | 179.8° | 180.0° |
| C0X | N0W | C11 | H13 | 0.2° | 0.1° |
| N0W | C0V | C10 | C14 | 0.0° | 0.0° |
| C0V | N0W | C11 | C14 | 0.0° | 0.1° |
| C0V | N0W | C0X | H10 | 179.9° | 180.0° |
| N0W | C0V | C10 | H12 | 180.0° | 180.0° |
| C0V | N0W | C11 | H13 | 179.9° | 180.0° |
| C10 | C0V | N0W | C11 | 0.0° | 0.0° |
| C0V | C10 | C14 | H12 | 180.0° | 180.0° |
| C0V | C10 | C14 | C11 | 0.0° | 0.0° |
| C0V | C10 | C14 | C16 | 179.9° | 180.0° |
| N0W | C11 | C14 | C10 | 0.1° | 0.1° |
| N0W | C11 | C14 | H13 | 180.0° | 179.9° |
| N0W | C11 | C14 | C16 | 179.9° | 180.0° |
| C11 | N0W | C0X | H10 | 0.1° | 0.1° |
| C10 | C14 | C11 | C16 | 179.8° | 180.0° |
| C10 | C14 | C16 | N19 | 175.2° | 59.6° |
| C10 | C14 | C11 | H13 | 179.9° | 180.0° |
| C11 | C14 | C16 | N19 | 5.0° | 120.4° |
| C11 | C14 | C10 | H12 | 180.0° | 180.0° |
| C16 | C14 | C10 | H12 | 0.1° | 0.0° |
| C16 | C14 | C11 | H13 | 0.1° | 0.0° |
| H2 | C02 | C03 | H3 | 0.1° | 0.1° |
| H4 | C0D | C0E | H6 | 171.0° | 55.0° |
| H4 | C0D | C0E | H7 | 70.1° | 65.0° |
| H5 | C0D | C0E | H6 | 69.0° | 65.0° |
| H5 | C0D | C0E | H7 | 49.9° | 175.0° |
| H8 | C0O | C0P | H9 | 0.1° | 0.0° |
