3X6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O15 | C10 | doub | 1.22Å | 1.23Å | |
| C0P | C0O | sing | 1.53Å | 1.54Å | |
| C0P | N0S | sing | 1.46Å | 1.47Å | |
| C10 | N0S | sing | 1.35Å | 1.37Å | |
| C10 | N11 | sing | 1.35Å | 1.36Å | |
| C0O | O0B | sing | 1.43Å | 1.43Å | |
| N0S | C14 | sing | 1.37Å | 1.42Å | |
| N11 | C12 | sing | 1.35Å | 1.36Å | |
| C14 | C13 | doub | 1.35Å | 1.36Å | |
| O0B | C05 | sing | 1.36Å | 1.38Å | |
| C00 | C05 | doub | 1.39Å | 1.42Å | Aromatic |
| C00 | C01 | sing | 1.38Å | 1.41Å | Aromatic |
| C12 | C13 | sing | 1.42Å | 1.47Å | |
| C12 | O17 | doub | 1.22Å | 1.23Å | |
| C05 | C04 | sing | 1.39Å | 1.42Å | Aromatic |
| C01 | C02 | doub | 1.38Å | 1.41Å | Aromatic |
| C04 | O0A | sing | 1.36Å | 1.38Å | |
| C04 | C03 | doub | 1.39Å | 1.42Å | Aromatic |
| C02 | C03 | sing | 1.38Å | 1.41Å | Aromatic |
| O0A | C0C | sing | 1.36Å | 1.38Å | |
| C0D | C0C | doub | 1.39Å | 1.42Å | Aromatic |
| C0D | C0E | sing | 1.38Å | 1.41Å | Aromatic |
| C0C | C0H | sing | 1.38Å | 1.42Å | Aromatic |
| CL1 | 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 | 1.46Å | |
| C0M | C0V | doub | 1.35Å | 1.35Å | |
| C0V | C0X | sing | 1.43Å | 1.43Å | |
| C0X | N0Z | trip | 1.14Å | 1.16Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C14 | H2 | sing | 1.08Å | 1.08Å | |
| C00 | H3 | sing | 1.08Å | 1.08Å | |
| C01 | H4 | sing | 1.08Å | 1.08Å | |
| C02 | H5 | sing | 1.08Å | 1.08Å | |
| C03 | H6 | sing | 1.08Å | 1.08Å | |
| C0D | H7 | sing | 1.08Å | 1.08Å | |
| C0F | H8 | sing | 1.08Å | 1.08Å | |
| C0H | H9 | sing | 1.08Å | 1.08Å | |
| C0M | H10 | sing | 1.08Å | 1.08Å | |
| C0V | H11 | sing | 1.08Å | 1.08Å | |
| C0O | H12 | sing | 1.09Å | 1.10Å | |
| C0O | H13 | sing | 1.09Å | 1.10Å | |
| C0P | H14 | sing | 1.09Å | 1.10Å | |
| C0P | H15 | sing | 1.09Å | 1.10Å | |
| N11 | H16 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O15 | C10 | N0S | 123.2° | 119.5° |
| O15 | C10 | N11 | 120.9° | 119.5° |
| C0O | C0P | N0S | 108.7° | 109.5° |
| C0P | C0O | O0B | 110.0° | 109.5° |
| C0P | C0O | H12 | 109.3° | 109.4° |
| C0P | C0O | H13 | 109.3° | 109.5° |
| C0O | C0P | H14 | 109.7° | 109.5° |
| C0O | C0P | H15 | 109.7° | 109.4° |
| C0P | N0S | C10 | 122.5° | 119.7° |
| C0P | N0S | C14 | 116.1° | 119.7° |
| N0S | C0P | H14 | 109.7° | 109.5° |
| N0S | C0P | H15 | 109.7° | 109.5° |
| N0S | C10 | N11 | 115.9° | 120.9° |
| C10 | N0S | C14 | 121.4° | 120.6° |
| C10 | N11 | C12 | 128.1° | 120.3° |
| C10 | N11 | H16 | 116.0° | 119.8° |
| C0O | O0B | C05 | 116.4° | 117.0° |
| O0B | C0O | H12 | 109.3° | 109.5° |
| O0B | C0O | H13 | 109.3° | 109.5° |
| N0S | C14 | C13 | 120.4° | 119.7° |
| N0S | C14 | H2 | 119.8° | 120.1° |
| N11 | C12 | C13 | 114.7° | 119.4° |
| N11 | C12 | O17 | 121.6° | 120.3° |
| C12 | N11 | H16 | 116.0° | 119.9° |
| C14 | C13 | C12 | 119.6° | 119.1° |
| C14 | C13 | H1 | 120.2° | 120.4° |
| C13 | C14 | H2 | 119.8° | 120.2° |
| O0B | C05 | C00 | 122.4° | 120.0° |
| O0B | C05 | C04 | 117.5° | 120.1° |
| C05 | C00 | C01 | 119.7° | 120.0° |
| C00 | C05 | C04 | 120.1° | 119.9° |
| C05 | C00 | H3 | 120.1° | 120.0° |
| C00 | C01 | C02 | 120.4° | 120.1° |
| C01 | C00 | H3 | 120.1° | 120.0° |
| C00 | C01 | H4 | 119.8° | 119.9° |
| C13 | C12 | O17 | 123.7° | 120.3° |
| C12 | C13 | H1 | 120.2° | 120.4° |
| C05 | C04 | O0A | 117.9° | 120.1° |
| C05 | C04 | C03 | 119.5° | 119.8° |
| C01 | C02 | C03 | 120.0° | 120.1° |
| C02 | C01 | H4 | 119.8° | 120.0° |
| C01 | C02 | H5 | 120.0° | 119.9° |
| O0A | C04 | C03 | 122.6° | 120.1° |
| C04 | O0A | C0C | 122.6° | 118.0° |
| C04 | C03 | C02 | 120.3° | 120.0° |
| C04 | C03 | H6 | 119.9° | 120.0° |
| C03 | C02 | H5 | 120.0° | 120.0° |
| C02 | C03 | H6 | 119.8° | 120.0° |
| O0A | C0C | C0D | 123.7° | 119.9° |
| O0A | C0C | C0H | 117.9° | 120.0° |
| C0C | C0D | C0E | 120.5° | 120.3° |
| C0D | C0C | C0H | 118.4° | 120.1° |
| C0C | C0D | H7 | 119.7° | 119.9° |
| C0D | C0E | CL1 | 119.7° | 119.9° |
| C0D | C0E | C0F | 120.2° | 120.2° |
| C0E | C0D | H7 | 119.8° | 119.9° |
| C0C | C0H | C0G | 122.0° | 119.8° |
| C0C | C0H | H9 | 119.0° | 120.1° |
| CL1 | C0E | C0F | 120.1° | 119.9° |
| C0E | C0F | C0G | 121.5° | 119.9° |
| C0E | C0F | H8 | 119.3° | 120.0° |
| C0H | C0G | C0F | 117.3° | 119.7° |
| C0H | C0G | C0M | 124.9° | 120.1° |
| C0G | C0H | H9 | 119.0° | 120.1° |
| C0F | C0G | C0M | 117.8° | 120.2° |
| C0G | C0F | H8 | 119.2° | 120.0° |
| C0G | C0M | C0V | 122.2° | 119.9° |
| C0G | C0M | H10 | 118.9° | 120.0° |
| C0M | C0V | C0X | 120.5° | 120.0° |
| C0V | C0M | H10 | 118.9° | 120.0° |
| C0M | C0V | H11 | 119.8° | 120.0° |
| C0V | C0X | N0Z | 178.5° | 180.0° |
| C0X | C0V | H11 | 119.8° | 120.0° |
| H12 | C0O | H13 | 109.5° | 109.5° |
| H14 | C0P | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O15 | C10 | N0S | C0P | 0.5° | 0.2° |
| O15 | C10 | N0S | N11 | 179.8° | 179.8° |
| O15 | C10 | N0S | C14 | 179.9° | 179.7° |
| O15 | C10 | N11 | C12 | 180.0° | 179.8° |
| O15 | C10 | N11 | H16 | 0.0° | 0.3° |
| C0O | C0P | N0S | H14 | 119.9° | 120.0° |
| C0O | C0P | N0S | H15 | 119.9° | 120.0° |
| C0O | C0P | N0S | C10 | 84.9° | 90.0° |
| C0P | C0O | O0B | H12 | 120.1° | 119.9° |
| C0P | C0O | O0B | H13 | 120.1° | 120.1° |
| C0O | C0P | N0S | C14 | 94.5° | 90.0° |
| C0P | C0O | O0B | C05 | 167.8° | 180.0° |
| C0P | C0O | H12 | H13 | 119.7° | 120.0° |
| C0O | C0P | H14 | H15 | 120.4° | 119.9° |
| C0P | N0S | C10 | C14 | 179.4° | 180.0° |
| C0P | N0S | C10 | N11 | 179.6° | 180.0° |
| N0S | C0P | C0O | O0B | 56.7° | 65.0° |
| C0P | N0S | C14 | C13 | 179.6° | 180.0° |
| C0P | N0S | C14 | H2 | 0.4° | 0.0° |
| N0S | C0P | C0O | H12 | 63.4° | 55.0° |
| N0S | C0P | C0O | H13 | 176.8° | 175.0° |
| N0S | C0P | H14 | H15 | 120.3° | 120.0° |
| N0S | C10 | N11 | C12 | 0.1° | 0.0° |
| C10 | N0S | C14 | C13 | 0.2° | 0.0° |
| C10 | N0S | C14 | H2 | 179.8° | 180.0° |
| C10 | N0S | C0P | H14 | 155.3° | 30.0° |
| C10 | N0S | C0P | H15 | 35.0° | 150.0° |
| N0S | C10 | N11 | H16 | 179.9° | 180.0° |
| N11 | C10 | N0S | C14 | 0.2° | 0.0° |
| C10 | N11 | C12 | H16 | 180.0° | 180.0° |
| C10 | N11 | C12 | C13 | 0.0° | 0.0° |
| C10 | N11 | C12 | O17 | 180.0° | 180.0° |
| C0O | O0B | C05 | C00 | 8.4° | 0.0° |
| C0O | O0B | C05 | C04 | 172.1° | 179.9° |
| O0B | C0O | H12 | H13 | 119.7° | 120.0° |
| O0B | C0O | C0P | H14 | 63.1° | 175.0° |
| O0B | C0O | C0P | H15 | 176.6° | 55.0° |
| N0S | C14 | C13 | H2 | 180.0° | 180.0° |
| N0S | C14 | C13 | C12 | 0.1° | 0.0° |
| N0S | C14 | C13 | H1 | 179.9° | 180.0° |
| C14 | N0S | C0P | H14 | 25.3° | 150.0° |
| C14 | N0S | C0P | H15 | 145.6° | 30.0° |
| N11 | C12 | C13 | C14 | 0.0° | 0.1° |
| N11 | C12 | C13 | O17 | 180.0° | 179.9° |
| N11 | C12 | C13 | H1 | 180.0° | 179.9° |
| C14 | C13 | C12 | H1 | 180.0° | 180.0° |
| C14 | C13 | C12 | O17 | 180.0° | 180.0° |
| O0B | C05 | C00 | C04 | 179.4° | 179.9° |
| O0B | C05 | C00 | C01 | 179.7° | 180.0° |
| O0B | C05 | C04 | O0A | 0.6° | 0.0° |
| O0B | C05 | C04 | C03 | 179.7° | 180.0° |
| O0B | C05 | C00 | H3 | 0.3° | 0.3° |
| C05 | O0B | C0O | H12 | 47.7° | 60.0° |
| C05 | O0B | C0O | H13 | 72.2° | 60.0° |
| C05 | C00 | C01 | H3 | 180.0° | 179.7° |
| C05 | C00 | C01 | C02 | 0.2° | 0.0° |
| C00 | C05 | C04 | O0A | 179.9° | 180.0° |
| C00 | C05 | C04 | C03 | 0.3° | 0.1° |
| C05 | C00 | C01 | H4 | 179.8° | 180.0° |
| C01 | C00 | C05 | C04 | 0.3° | 0.0° |
| C00 | C01 | C02 | H4 | 180.0° | 180.0° |
| C00 | C01 | C02 | C03 | 0.1° | 0.1° |
| C00 | C01 | C02 | H5 | 179.9° | 180.0° |
| C12 | C13 | C14 | H2 | 179.9° | 180.0° |
| C13 | C12 | N11 | H16 | 180.0° | 180.0° |
| O17 | C12 | C13 | H1 | 0.0° | 0.0° |
| O17 | C12 | N11 | H16 | 0.0° | 0.1° |
| C05 | C04 | O0A | C03 | 179.6° | 179.9° |
| C05 | C04 | C03 | C02 | 0.2° | 0.1° |
| C05 | C04 | O0A | C0C | 112.4° | 179.7° |
| C04 | C05 | C00 | H3 | 179.7° | 179.7° |
| C05 | C04 | C03 | H6 | 179.7° | 180.0° |
| C01 | C02 | C03 | C04 | 0.2° | 0.1° |
| C01 | C02 | C03 | H5 | 180.0° | 179.9° |
| C02 | C01 | C00 | H3 | 179.8° | 179.7° |
| C01 | C02 | C03 | H6 | 179.8° | 180.0° |
| O0A | C04 | C03 | C02 | 179.9° | 179.9° |
| C04 | O0A | C0C | C0D | 22.8° | 90.0° |
| C04 | O0A | C0C | C0H | 157.6° | 90.3° |
| O0A | C04 | C03 | H6 | 0.1° | 0.1° |
| C04 | C03 | C02 | H6 | 180.0° | 179.9° |
| C03 | C04 | O0A | C0C | 68.0° | 0.3° |
| C04 | C03 | C02 | H5 | 179.8° | 180.0° |
| C03 | C02 | C01 | H4 | 179.9° | 180.0° |
| O0A | C0C | C0D | C0H | 179.6° | 179.7° |
| O0A | C0C | C0D | C0E | 179.8° | 180.0° |
| O0A | C0C | C0H | C0G | 179.9° | 179.7° |
| O0A | C0C | C0D | H7 | 0.2° | 0.0° |
| O0A | C0C | C0H | H9 | 0.1° | 0.0° |
| C0C | C0D | C0E | H7 | 180.0° | 179.9° |
| C0C | C0D | C0E | CL1 | 179.8° | 180.0° |
| C0C | C0D | C0E | C0F | 0.2° | 0.1° |
| C0D | C0C | C0H | C0G | 0.3° | 0.5° |
| C0D | C0C | C0H | H9 | 179.7° | 179.7° |
| C0E | C0D | C0C | C0H | 0.3° | 0.2° |
| C0D | C0E | CL1 | C0F | 180.0° | 179.9° |
| C0D | C0E | C0F | C0G | 0.2° | 0.1° |
| C0D | C0E | C0F | H8 | 179.8° | 179.9° |
| C0C | C0H | C0G | H9 | 180.0° | 179.8° |
| C0C | C0H | C0G | C0F | 0.3° | 0.5° |
| C0C | C0H | C0G | C0M | 179.7° | 179.7° |
| C0H | C0C | C0D | H7 | 179.8° | 179.7° |
| CL1 | C0E | C0F | C0G | 179.8° | 180.0° |
| CL1 | C0E | C0D | H7 | 0.2° | 0.1° |
| CL1 | C0E | C0F | H8 | 0.2° | 0.0° |
| C0E | C0F | C0G | C0H | 0.3° | 0.2° |
| C0E | C0F | C0G | H8 | 180.0° | 180.0° |
| C0E | C0F | C0G | C0M | 179.7° | 180.0° |
| C0F | C0E | C0D | H7 | 179.8° | 180.0° |
| C0H | C0G | C0F | C0M | 179.4° | 179.8° |
| C0H | C0G | C0M | C0V | 25.6° | 179.8° |
| C0H | C0G | C0F | H8 | 179.7° | 179.8° |
| C0H | C0G | C0M | H10 | 154.4° | 0.2° |
| C0F | C0G | C0M | C0V | 155.0° | 0.0° |
| C0F | C0G | C0H | H9 | 179.7° | 179.7° |
| C0F | C0G | C0M | H10 | 25.0° | 180.0° |
| C0G | C0M | C0V | H10 | 180.0° | 180.0° |
| C0G | C0M | C0V | C0X | 167.1° | 180.0° |
| C0M | C0G | C0F | H8 | 0.3° | 0.0° |
| C0M | C0G | C0H | H9 | 0.3° | 0.0° |
| C0G | C0M | C0V | H11 | 12.9° | 0.0° |
| C0M | C0V | C0X | H11 | 180.0° | 180.0° |
| C0M | C0V | C0X | N0Z | 43.5° | 120.9° |
| C0X | C0V | C0M | H10 | 12.9° | 0.0° |
| N0Z | C0X | C0V | H11 | 136.5° | 59.0° |
| H1 | C13 | C14 | H2 | 0.0° | 0.0° |
| H3 | C00 | C01 | H4 | 0.2° | 0.3° |
| H4 | C01 | C02 | H5 | 0.1° | 0.1° |
| H5 | C02 | C03 | H6 | 0.2° | 0.1° |
| H10 | C0M | C0V | H11 | 167.1° | 180.0° |
| H12 | C0O | C0P | H14 | 176.8° | 65.0° |
| H12 | C0O | C0P | H15 | 56.5° | 175.0° |
| H13 | C0O | C0P | H14 | 56.9° | 54.9° |
| H13 | C0O | C0P | H15 | 63.3° | 65.0° |
