494
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL7 | C01 | sing | 1.74Å | 1.72Å | |
| C01 | C02 | doub | 1.38Å | 1.41Å | Aromatic |
| C01 | C00 | sing | 1.38Å | 1.41Å | Aromatic |
| C02 | C03 | sing | 1.38Å | 1.41Å | Aromatic |
| C00 | C05 | doub | 1.39Å | 1.42Å | Aromatic |
| O10 | C0V | doub | 1.22Å | 1.23Å | |
| C03 | C04 | doub | 1.39Å | 1.42Å | Aromatic |
| C05 | C04 | sing | 1.39Å | 1.44Å | Aromatic |
| C05 | O0B | sing | 1.36Å | 1.39Å | |
| N0W | C0V | sing | 1.35Å | 1.36Å | |
| N0W | C0X | sing | 1.35Å | 1.36Å | |
| C0V | N0S | sing | 1.35Å | 1.37Å | |
| C04 | O0A | sing | 1.36Å | 1.38Å | |
| O0B | C0O | sing | 1.43Å | 1.42Å | |
| O12 | C0X | doub | 1.22Å | 1.23Å | |
| C0X | C0Y | sing | 1.42Å | 1.47Å | |
| N0S | C0P | sing | 1.47Å | 1.48Å | |
| N0S | C0Z | sing | 1.37Å | 1.42Å | |
| O0A | C0C | sing | 1.36Å | 1.38Å | |
| C0O | C0P | sing | 1.53Å | 1.54Å | |
| C0Y | C0Z | doub | 1.35Å | 1.36Å | |
| C0D | C0C | doub | 1.39Å | 1.42Å | Aromatic |
| C0D | C0E | sing | 1.38Å | 1.40Å | Aromatic |
| C0C | C0H | sing | 1.38Å | 1.42Å | Aromatic |
| CL0 | C0E | sing | 1.74Å | 1.72Å | |
| C0E | C0F | doub | 1.38Å | 1.41Å | Aromatic |
| C0H | C0G | doub | 1.40Å | 1.43Å | Aromatic |
| C0F | C0G | sing | 1.40Å | 1.42Å | Aromatic |
| C0G | C0M | sing | 1.47Å | 1.45Å | |
| C0M | C15 | doub | 1.35Å | 1.34Å | |
| C15 | C17 | sing | 1.43Å | 1.43Å | |
| C17 | N19 | trip | 1.14Å | 1.16Å | |
| C00 | H1 | sing | 1.08Å | 1.08Å | |
| C02 | H2 | sing | 1.08Å | 1.08Å | |
| C03 | H3 | sing | 1.08Å | 1.08Å | |
| C0D | H4 | sing | 1.08Å | 1.08Å | |
| C0F | H5 | sing | 1.08Å | 1.08Å | |
| C0H | H6 | sing | 1.08Å | 1.08Å | |
| C0M | H7 | sing | 1.08Å | 1.08Å | |
| C0O | H8 | sing | 1.09Å | 1.10Å | |
| C0O | H9 | sing | 1.09Å | 1.10Å | |
| C0P | H10 | sing | 1.09Å | 1.10Å | |
| C0P | H11 | sing | 1.09Å | 1.10Å | |
| N0W | H12 | sing | 0.97Å | 1.00Å | |
| C0Y | H13 | sing | 1.08Å | 1.08Å | |
| C0Z | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL7 | C01 | C02 | 120.2° | 119.9° |
| CL7 | C01 | C00 | 119.2° | 120.0° |
| C02 | C01 | C00 | 120.6° | 120.1° |
| C01 | C02 | C03 | 119.0° | 120.1° |
| C01 | C02 | H2 | 120.5° | 120.0° |
| C01 | C00 | C05 | 121.7° | 120.0° |
| C01 | C00 | H1 | 119.1° | 120.0° |
| C02 | C03 | C04 | 121.3° | 120.0° |
| C03 | C02 | H2 | 120.5° | 119.9° |
| C02 | C03 | H3 | 119.3° | 119.9° |
| C00 | C05 | C04 | 117.6° | 119.9° |
| C00 | C05 | O0B | 111.9° | 120.1° |
| C05 | C00 | H1 | 119.1° | 120.0° |
| O10 | C0V | N0W | 120.5° | 119.5° |
| O10 | C0V | N0S | 123.9° | 119.6° |
| C03 | C04 | C05 | 119.7° | 119.8° |
| C03 | C04 | O0A | 117.2° | 120.1° |
| C04 | C03 | H3 | 119.3° | 120.0° |
| C04 | C05 | O0B | 130.4° | 120.0° |
| C05 | C04 | O0A | 123.1° | 120.1° |
| C05 | O0B | C0O | 124.3° | 117.0° |
| C0V | N0W | C0X | 128.3° | 120.3° |
| N0W | C0V | N0S | 115.6° | 120.9° |
| C0V | N0W | H12 | 115.8° | 119.9° |
| N0W | C0X | O12 | 121.2° | 120.3° |
| N0W | C0X | C0Y | 114.8° | 119.4° |
| C0X | N0W | H12 | 115.8° | 119.9° |
| C0V | N0S | C0P | 122.0° | 119.7° |
| C0V | N0S | C0Z | 121.7° | 120.6° |
| C04 | O0A | C0C | 120.0° | 118.0° |
| O0B | C0O | C0P | 111.5° | 109.5° |
| O0B | C0O | H8 | 109.0° | 109.5° |
| O0B | C0O | H9 | 109.0° | 109.4° |
| O12 | C0X | C0Y | 124.0° | 120.3° |
| C0X | C0Y | C0Z | 119.3° | 119.1° |
| C0X | C0Y | H13 | 120.4° | 120.4° |
| C0P | N0S | C0Z | 116.3° | 119.7° |
| N0S | C0P | C0O | 111.0° | 109.5° |
| N0S | C0P | H10 | 109.1° | 109.5° |
| N0S | C0P | H11 | 109.1° | 109.4° |
| N0S | C0Z | C0Y | 120.3° | 119.7° |
| N0S | C0Z | H14 | 119.8° | 120.1° |
| O0A | C0C | C0D | 122.8° | 120.0° |
| O0A | C0C | C0H | 118.0° | 120.0° |
| C0P | C0O | H8 | 109.0° | 109.5° |
| C0P | C0O | H9 | 108.9° | 109.5° |
| C0O | C0P | H10 | 109.1° | 109.5° |
| C0O | C0P | H11 | 109.1° | 109.5° |
| C0Z | C0Y | H13 | 120.3° | 120.5° |
| C0Y | C0Z | H14 | 119.8° | 120.2° |
| C0C | C0D | C0E | 120.8° | 120.3° |
| C0D | C0C | C0H | 119.2° | 120.1° |
| C0C | C0D | H4 | 119.6° | 119.9° |
| C0D | C0E | CL0 | 118.8° | 119.9° |
| C0D | C0E | C0F | 119.5° | 120.2° |
| C0E | C0D | H4 | 119.6° | 119.9° |
| C0C | C0H | C0G | 121.0° | 119.8° |
| C0C | C0H | H6 | 119.5° | 120.1° |
| CL0 | C0E | C0F | 121.7° | 119.9° |
| C0E | C0F | C0G | 121.6° | 119.9° |
| C0E | C0F | H5 | 119.2° | 120.0° |
| C0H | C0G | C0F | 117.9° | 119.8° |
| C0H | C0G | C0M | 125.3° | 120.1° |
| C0G | C0H | H6 | 119.5° | 120.1° |
| C0F | C0G | C0M | 116.8° | 120.1° |
| C0G | C0F | H5 | 119.2° | 120.0° |
| C0G | C0M | C15 | 123.5° | 120.0° |
| C0G | C0M | H7 | 118.3° | 120.0° |
| C0M | C15 | C17 | 122.3° | 120.0° |
| C15 | C0M | H7 | 118.3° | 120.0° |
| C0M | C15 | H15 | 118.9° | 120.0° |
| C15 | C17 | N19 | 179.9° | 180.0° |
| C17 | C15 | H15 | 118.9° | 120.0° |
| H8 | C0O | H9 | 109.5° | 109.5° |
| H10 | C0P | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL7 | C01 | C02 | C00 | 179.8° | 180.0° |
| CL7 | C01 | C02 | C03 | 179.9° | 180.0° |
| CL7 | C01 | C00 | C05 | 179.9° | 180.0° |
| CL7 | C01 | C00 | H1 | 0.1° | 0.3° |
| CL7 | C01 | C02 | H2 | 0.1° | 0.0° |
| C01 | C02 | C03 | H2 | 180.0° | 180.0° |
| C02 | C01 | C00 | C05 | 0.1° | 0.0° |
| C01 | C02 | C03 | C04 | 0.2° | 0.0° |
| C02 | C01 | C00 | H1 | 179.9° | 179.7° |
| C01 | C02 | C03 | H3 | 179.8° | 180.0° |
| C00 | C01 | C02 | C03 | 0.1° | 0.0° |
| C01 | C00 | C05 | H1 | 180.0° | 179.7° |
| C01 | C00 | C05 | C04 | 0.1° | 0.1° |
| C01 | C00 | C05 | O0B | 179.9° | 179.7° |
| C00 | C01 | C02 | H2 | 179.9° | 180.0° |
| C02 | C03 | C04 | H3 | 180.0° | 179.9° |
| C02 | C03 | C04 | C05 | 0.4° | 0.1° |
| C02 | C03 | C04 | O0A | 179.5° | 180.0° |
| C00 | C05 | C04 | C03 | 0.3° | 0.1° |
| C00 | C05 | C04 | O0B | 179.9° | 179.8° |
| C00 | C05 | C04 | O0A | 179.4° | 180.0° |
| C00 | C05 | O0B | C0O | 179.4° | 0.1° |
| O10 | C0V | N0W | N0S | 179.9° | 179.9° |
| O10 | C0V | N0W | C0X | 179.9° | 179.9° |
| O10 | C0V | N0S | C0P | 0.0° | 0.1° |
| O10 | C0V | N0S | C0Z | 180.0° | 179.8° |
| O10 | C0V | N0W | H12 | 0.1° | 0.1° |
| C03 | C04 | C05 | O0A | 179.0° | 180.0° |
| C03 | C04 | C05 | O0B | 179.7° | 179.7° |
| C03 | C04 | O0A | C0C | 80.1° | 0.3° |
| C04 | C03 | C02 | H2 | 179.9° | 180.0° |
| C04 | C05 | O0B | C0O | 0.5° | 179.7° |
| C05 | C04 | O0A | C0C | 98.9° | 179.7° |
| C04 | C05 | C00 | H1 | 179.8° | 179.7° |
| C05 | C04 | C03 | H3 | 179.6° | 180.0° |
| O0B | C05 | C04 | O0A | 0.7° | 0.2° |
| C05 | O0B | C0O | C0P | 162.0° | 180.0° |
| O0B | C05 | C00 | H1 | 0.1° | 0.1° |
| C05 | O0B | C0O | H8 | 41.8° | 59.9° |
| C05 | O0B | C0O | H9 | 77.7° | 60.0° |
| C0V | N0W | C0X | H12 | 180.0° | 180.0° |
| C0V | N0W | C0X | O12 | 179.9° | 180.0° |
| C0V | N0W | C0X | C0Y | 0.3° | 0.0° |
| N0W | C0V | N0S | C0P | 179.9° | 180.0° |
| N0W | C0V | N0S | C0Z | 0.1° | 0.3° |
| C0X | N0W | C0V | N0S | 0.2° | 0.0° |
| N0W | C0X | O12 | C0Y | 179.7° | 180.0° |
| N0W | C0X | C0Y | C0Z | 0.3° | 0.3° |
| N0W | C0X | C0Y | H13 | 179.8° | 180.0° |
| C0V | N0S | C0P | C0Z | 179.9° | 179.7° |
| C0V | N0S | C0P | C0O | 102.9° | 89.7° |
| C0V | N0S | C0Z | C0Y | 0.0° | 0.6° |
| C0V | N0S | C0P | H10 | 17.4° | 150.3° |
| C0V | N0S | C0P | H11 | 136.9° | 30.3° |
| N0S | C0V | N0W | H12 | 179.8° | 180.0° |
| C0V | N0S | C0Z | H14 | 180.0° | 179.7° |
| C04 | O0A | C0C | C0D | 8.3° | 90.0° |
| C04 | O0A | C0C | C0H | 171.7° | 90.3° |
| O0A | C04 | C03 | H3 | 0.5° | 0.0° |
| O0B | C0O | C0P | N0S | 87.4° | 65.0° |
| O0B | C0O | C0P | H8 | 120.3° | 120.1° |
| O0B | C0O | C0P | H9 | 120.3° | 119.9° |
| O0B | C0O | H8 | H9 | 119.1° | 119.9° |
| O0B | C0O | C0P | H10 | 32.8° | 175.0° |
| O0B | C0O | C0P | H11 | 152.3° | 54.9° |
| O12 | C0X | C0Y | C0Z | 180.0° | 179.7° |
| O12 | C0X | N0W | H12 | 0.1° | 0.0° |
| O12 | C0X | C0Y | H13 | 0.0° | 0.0° |
| C0X | C0Y | C0Z | N0S | 0.1° | 0.6° |
| C0X | C0Y | C0Z | H13 | 180.0° | 179.7° |
| C0Y | C0X | N0W | H12 | 179.7° | 180.0° |
| C0X | C0Y | C0Z | H14 | 179.9° | 179.8° |
| N0S | C0P | C0O | H10 | 120.3° | 120.0° |
| N0S | C0P | C0O | H11 | 120.2° | 120.0° |
| C0P | N0S | C0Z | C0Y | 179.9° | 179.7° |
| N0S | C0P | C0O | H8 | 32.9° | 55.0° |
| N0S | C0P | C0O | H9 | 152.3° | 175.1° |
| N0S | C0P | H10 | H11 | 119.3° | 120.0° |
| C0P | N0S | C0Z | H14 | 0.1° | 0.0° |
| C0Z | N0S | C0P | C0O | 77.2° | 90.0° |
| N0S | C0Z | C0Y | H14 | 180.0° | 179.7° |
| C0Z | N0S | C0P | H10 | 162.6° | 30.0° |
| C0Z | N0S | C0P | H11 | 43.0° | 150.0° |
| N0S | C0Z | C0Y | H13 | 179.9° | 179.7° |
| O0A | C0C | C0D | C0H | 180.0° | 179.7° |
| O0A | C0C | C0D | C0E | 179.8° | 180.0° |
| O0A | C0C | C0H | C0G | 179.8° | 179.8° |
| O0A | C0C | C0D | H4 | 0.2° | 0.1° |
| O0A | C0C | C0H | H6 | 0.2° | 0.0° |
| C0P | C0O | H8 | H9 | 119.1° | 120.0° |
| C0O | C0P | H10 | H11 | 119.3° | 120.0° |
| C0C | C0D | C0E | H4 | 180.0° | 179.9° |
| C0C | C0D | C0E | CL0 | 179.9° | 180.0° |
| C0C | C0D | C0E | C0F | 0.3° | 0.0° |
| C0D | C0C | C0H | C0G | 0.1° | 0.5° |
| C0D | C0C | C0H | H6 | 179.9° | 179.8° |
| C0E | C0D | C0C | C0H | 0.2° | 0.3° |
| C0D | C0E | CL0 | C0F | 179.9° | 180.0° |
| C0D | C0E | C0F | C0G | 0.3° | 0.0° |
| C0D | C0E | C0F | H5 | 179.7° | 180.0° |
| C0C | C0H | C0G | H6 | 180.0° | 179.7° |
| C0C | C0H | C0G | C0F | 0.2° | 0.5° |
| C0C | C0H | C0G | C0M | 180.0° | 179.7° |
| C0H | C0C | C0D | H4 | 179.8° | 179.8° |
| CL0 | C0E | C0F | C0G | 179.9° | 180.0° |
| CL0 | C0E | C0D | H4 | 0.1° | 0.0° |
| CL0 | C0E | C0F | H5 | 0.2° | 0.0° |
| C0E | C0F | C0G | C0H | 0.2° | 0.2° |
| C0E | C0F | C0G | H5 | 180.0° | 180.0° |
| C0E | C0F | C0G | C0M | 179.9° | 180.0° |
| C0F | C0E | C0D | H4 | 179.8° | 179.9° |
| C0H | C0G | C0F | C0M | 179.9° | 179.8° |
| C0H | C0G | C0M | C15 | 6.7° | 179.7° |
| C0H | C0G | C0F | H5 | 179.8° | 179.7° |
| C0H | C0G | C0M | H7 | 173.3° | 0.2° |
| C0F | C0G | C0M | C15 | 173.4° | 0.1° |
| C0F | C0G | C0H | H6 | 179.9° | 179.8° |
| C0F | C0G | C0M | H7 | 6.6° | 180.0° |
| C0G | C0M | C15 | H7 | 180.0° | 179.9° |
| C0G | C0M | C15 | C17 | 162.8° | 180.0° |
| C0M | C0G | C0F | H5 | 0.1° | 0.1° |
| C0M | C0G | C0H | H6 | 0.0° | 0.0° |
| C0G | C0M | C15 | H15 | 17.2° | 0.1° |
| C0M | C15 | C17 | H15 | 180.0° | 180.0° |
| C0M | C15 | C17 | N19 | 61.1° | 0.1° |
| C17 | C15 | C0M | H7 | 17.2° | 0.0° |
| N19 | C17 | C15 | H15 | 118.9° | 179.9° |
| H2 | C02 | C03 | H3 | 0.2° | 0.0° |
| H7 | C0M | C15 | H15 | 162.8° | 180.0° |
| H8 | C0O | C0P | H10 | 153.1° | 65.0° |
| H8 | C0O | C0P | H11 | 87.4° | 175.0° |
| H9 | C0O | C0P | H10 | 87.5° | 55.0° |
| H9 | C0O | C0P | H11 | 32.0° | 65.0° |
| H13 | C0Y | C0Z | H14 | 0.1° | 0.0° |
