6XC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C05 | sing | 1.51Å | 1.50Å | |
| C05 | C06 | doub | 1.36Å | 1.34Å | |
| C05 | C36 | sing | 1.41Å | 1.46Å | |
| C06 | C08 | sing | 1.46Å | 1.44Å | |
| C08 | C09 | doub | 1.40Å | 1.39Å | Aromatic |
| C08 | C33 | sing | 1.41Å | 1.40Å | Aromatic |
| C09 | C11 | sing | 1.37Å | 1.38Å | Aromatic |
| C11 | N13 | doub | 1.32Å | 1.34Å | Aromatic |
| N13 | C14 | sing | 1.32Å | 1.35Å | Aromatic |
| C14 | N15 | sing | 1.39Å | 1.35Å | |
| C14 | C33 | doub | 1.40Å | 1.42Å | Aromatic |
| N15 | C17 | sing | 1.46Å | 1.46Å | |
| C17 | C19 | sing | 1.53Å | 1.52Å | |
| C17 | C30 | sing | 1.53Å | 1.52Å | |
| C19 | C22 | sing | 1.53Å | 1.51Å | |
| C22 | N25 | sing | 1.47Å | 1.47Å | |
| N25 | C27 | sing | 1.47Å | 1.47Å | |
| C27 | C30 | sing | 1.53Å | 1.52Å | |
| C33 | N34 | sing | 1.38Å | 1.38Å | |
| N34 | C36 | sing | 1.35Å | 1.35Å | |
| C36 | O37 | doub | 1.22Å | 1.23Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C06 | H06 | sing | 1.08Å | 1.08Å | |
| C09 | H09 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| N15 | H15 | sing | 0.97Å | 1.00Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| N25 | H25 | sing | 1.01Å | 1.00Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| N34 | H34 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C05 | C06 | 121.8° | 119.9° |
| C01 | C05 | C36 | 118.9° | 119.9° |
| C05 | C01 | H011 | 109.5° | 109.5° |
| C05 | C01 | H012 | 109.5° | 109.4° |
| C05 | C01 | H013 | 109.5° | 109.4° |
| C06 | C05 | C36 | 119.4° | 120.2° |
| C05 | C06 | C08 | 122.7° | 118.4° |
| C05 | C06 | H06 | 118.6° | 120.8° |
| C05 | C36 | N34 | 116.3° | 121.7° |
| C05 | C36 | O37 | 124.5° | 119.1° |
| C06 | C08 | C09 | 124.5° | 122.1° |
| C06 | C08 | C33 | 117.7° | 119.2° |
| C08 | C06 | H06 | 118.7° | 120.8° |
| C09 | C08 | C33 | 117.8° | 118.7° |
| C08 | C09 | C11 | 118.1° | 118.7° |
| C08 | C09 | H09 | 120.9° | 120.6° |
| C08 | C33 | C14 | 121.8° | 118.5° |
| C08 | C33 | N34 | 118.4° | 119.7° |
| C09 | C11 | N13 | 124.2° | 121.6° |
| C11 | C09 | H09 | 121.0° | 120.6° |
| C09 | C11 | H11 | 117.9° | 119.2° |
| C11 | N13 | C14 | 120.0° | 122.5° |
| N13 | C11 | H11 | 117.9° | 119.2° |
| N13 | C14 | N15 | 117.2° | 120.0° |
| N13 | C14 | C33 | 118.1° | 120.0° |
| N15 | C14 | C33 | 124.8° | 120.0° |
| C14 | N15 | C17 | 124.0° | 120.0° |
| C14 | N15 | H15 | 105.7° | 120.0° |
| C14 | C33 | N34 | 119.8° | 121.8° |
| N15 | C17 | C19 | 110.4° | 109.6° |
| N15 | C17 | C30 | 110.6° | 109.5° |
| C17 | N15 | H15 | 105.7° | 120.0° |
| N15 | C17 | H17 | 108.9° | 109.6° |
| C19 | C17 | C30 | 110.6° | 109.2° |
| C17 | C19 | C22 | 110.6° | 109.3° |
| C19 | C17 | H17 | 108.1° | 109.4° |
| C17 | C19 | H191 | 109.2° | 109.5° |
| C17 | C19 | H192 | 109.2° | 109.5° |
| C17 | C30 | C27 | 110.9° | 109.3° |
| C30 | C17 | H17 | 108.2° | 109.6° |
| C17 | C30 | H301 | 109.1° | 109.5° |
| C17 | C30 | H302 | 109.1° | 109.5° |
| C19 | C22 | N25 | 109.9° | 109.6° |
| C22 | C19 | H191 | 109.2° | 109.5° |
| C22 | C19 | H192 | 109.2° | 109.5° |
| C19 | C22 | H221 | 109.4° | 109.5° |
| C19 | C22 | H222 | 109.4° | 109.5° |
| C22 | N25 | C27 | 111.0° | 111.2° |
| N25 | C22 | H221 | 109.4° | 109.4° |
| N25 | C22 | H222 | 109.3° | 109.4° |
| C22 | N25 | H25 | 109.1° | 111.0° |
| N25 | C27 | C30 | 109.9° | 109.5° |
| C27 | N25 | H25 | 109.1° | 111.0° |
| N25 | C27 | H271 | 109.3° | 109.5° |
| N25 | C27 | H272 | 109.4° | 109.4° |
| C27 | C30 | H301 | 109.1° | 109.5° |
| C27 | C30 | H302 | 109.1° | 109.5° |
| C30 | C27 | H271 | 109.4° | 109.5° |
| C30 | C27 | H272 | 109.4° | 109.4° |
| C33 | N34 | C36 | 125.6° | 120.8° |
| C33 | N34 | H34 | 117.2° | 119.6° |
| N34 | C36 | O37 | 119.3° | 119.2° |
| C36 | N34 | H34 | 117.2° | 119.6° |
| H011 | C01 | H012 | 109.5° | 109.5° |
| H011 | C01 | H013 | 109.5° | 109.5° |
| H012 | C01 | H013 | 109.4° | 109.5° |
| H191 | C19 | H192 | 109.5° | 109.5° |
| H301 | C30 | H302 | 109.4° | 109.5° |
| H221 | C22 | H222 | 109.5° | 109.4° |
| H271 | C27 | H272 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C05 | C06 | C36 | 179.9° | 179.8° |
| C01 | C05 | C06 | C08 | 180.0° | 180.0° |
| C01 | C05 | C36 | N34 | 179.6° | 179.7° |
| C01 | C05 | C36 | O37 | 0.2° | 0.1° |
| C05 | C01 | H011 | H012 | 120.0° | 120.0° |
| C05 | C01 | H011 | H013 | 120.0° | 119.9° |
| C05 | C01 | H012 | H013 | 120.0° | 119.9° |
| C01 | C05 | C06 | H06 | 0.0° | 0.1° |
| C05 | C06 | C08 | H06 | 180.0° | 180.0° |
| C05 | C06 | C08 | C09 | 179.9° | 179.9° |
| C05 | C06 | C08 | C33 | 0.4° | 0.0° |
| C06 | C05 | C36 | N34 | 0.3° | 0.5° |
| C06 | C05 | C36 | O37 | 179.7° | 179.8° |
| C06 | C05 | C01 | H011 | 180.0° | 90.0° |
| C06 | C05 | C01 | H012 | 60.0° | 150.0° |
| C06 | C05 | C01 | H013 | 60.0° | 30.1° |
| C36 | C05 | C06 | C08 | 0.1° | 0.2° |
| C05 | C36 | N34 | C33 | 0.4° | 0.6° |
| C05 | C36 | N34 | O37 | 179.4° | 179.7° |
| C36 | C05 | C01 | H011 | 0.1° | 90.2° |
| C36 | C05 | C01 | H012 | 120.0° | 29.8° |
| C36 | C05 | C01 | H013 | 120.1° | 149.8° |
| C36 | C05 | C06 | H06 | 179.9° | 179.8° |
| C05 | C36 | N34 | H34 | 179.6° | 179.7° |
| C06 | C08 | C09 | C33 | 179.5° | 180.0° |
| C06 | C08 | C09 | C11 | 179.8° | 180.0° |
| C06 | C08 | C33 | C14 | 179.8° | 180.0° |
| C06 | C08 | C33 | N34 | 0.3° | 0.0° |
| C06 | C08 | C09 | H09 | 0.2° | 0.0° |
| C08 | C09 | C11 | H09 | 180.0° | 180.0° |
| C08 | C09 | C11 | N13 | 0.1° | 0.0° |
| C09 | C08 | C33 | C14 | 0.3° | 0.1° |
| C09 | C08 | C33 | N34 | 179.8° | 180.0° |
| C09 | C08 | C06 | H06 | 0.1° | 0.0° |
| C08 | C09 | C11 | H11 | 180.0° | 180.0° |
| C33 | C08 | C09 | C11 | 0.3° | 0.0° |
| C08 | C33 | C14 | N13 | 0.1° | 0.0° |
| C08 | C33 | C14 | N15 | 179.5° | 180.0° |
| C08 | C33 | C14 | N34 | 179.9° | 180.0° |
| C08 | C33 | N34 | C36 | 0.1° | 0.3° |
| C33 | C08 | C06 | H06 | 179.6° | 180.0° |
| C33 | C08 | C09 | H09 | 179.6° | 180.0° |
| C08 | C33 | N34 | H34 | 179.9° | 180.0° |
| C09 | C11 | N13 | H11 | 180.0° | 180.0° |
| C09 | C11 | N13 | C14 | 0.3° | 0.0° |
| C11 | N13 | C14 | N15 | 179.8° | 180.0° |
| C11 | N13 | C14 | C33 | 0.4° | 0.0° |
| N13 | C11 | C09 | H09 | 179.9° | 179.9° |
| N13 | C14 | N15 | C33 | 179.4° | 180.0° |
| N13 | C14 | N15 | C17 | 14.1° | 0.0° |
| N13 | C14 | C33 | N34 | 179.8° | 180.0° |
| C14 | N13 | C11 | H11 | 179.7° | 180.0° |
| N13 | C14 | N15 | H15 | 136.1° | 180.0° |
| C14 | N15 | C17 | H15 | 122.0° | 180.0° |
| C14 | N15 | C17 | C19 | 155.0° | 155.0° |
| C14 | N15 | C17 | C30 | 82.2° | 85.3° |
| N15 | C14 | C33 | N34 | 0.4° | 0.0° |
| C14 | N15 | C17 | H17 | 36.5° | 34.9° |
| C33 | C14 | N15 | C17 | 166.5° | 180.0° |
| C14 | C33 | N34 | C36 | 179.8° | 179.7° |
| C33 | C14 | N15 | H15 | 44.5° | 0.0° |
| C14 | C33 | N34 | H34 | 0.2° | 0.0° |
| N15 | C17 | C19 | C30 | 122.8° | 119.9° |
| N15 | C17 | C19 | H17 | 119.0° | 120.1° |
| N15 | C17 | C30 | H17 | 119.1° | 120.2° |
| N15 | C17 | C19 | C22 | 176.6° | 177.5° |
| N15 | C17 | C30 | C27 | 176.1° | 177.6° |
| N15 | C17 | C19 | H191 | 56.5° | 57.6° |
| N15 | C17 | C19 | H192 | 63.2° | 62.4° |
| N15 | C17 | C30 | H301 | 63.7° | 62.5° |
| N15 | C17 | C30 | H302 | 55.9° | 57.7° |
| C19 | C17 | C30 | H17 | 118.2° | 119.9° |
| C17 | C19 | C22 | H191 | 120.2° | 119.9° |
| C17 | C19 | C22 | H192 | 120.2° | 120.0° |
| C17 | C19 | C22 | N25 | 57.6° | 59.1° |
| C19 | C17 | C30 | C27 | 53.5° | 57.6° |
| C19 | C17 | N15 | H15 | 83.0° | 25.0° |
| C17 | C19 | H191 | H192 | 119.5° | 120.1° |
| C19 | C17 | C30 | H301 | 173.7° | 177.5° |
| C19 | C17 | C30 | H302 | 66.7° | 62.3° |
| C17 | C19 | C22 | H221 | 177.6° | 179.2° |
| C17 | C19 | C22 | H222 | 62.5° | 60.9° |
| C30 | C17 | C19 | C22 | 53.9° | 57.6° |
| C17 | C30 | C27 | N25 | 56.6° | 59.2° |
| C17 | C30 | C27 | H301 | 120.2° | 120.0° |
| C17 | C30 | C27 | H302 | 120.2° | 120.0° |
| C30 | C17 | N15 | H15 | 39.8° | 94.7° |
| C30 | C17 | C19 | H191 | 66.3° | 62.3° |
| C30 | C17 | C19 | H192 | 174.1° | 177.6° |
| C17 | C30 | H301 | H302 | 119.4° | 120.2° |
| C17 | C30 | C27 | H271 | 176.6° | 179.2° |
| C17 | C30 | C27 | H272 | 63.5° | 60.8° |
| C19 | C22 | N25 | H221 | 120.1° | 120.1° |
| C19 | C22 | N25 | H222 | 120.1° | 120.0° |
| C19 | C22 | N25 | C27 | 61.5° | 61.7° |
| C22 | C19 | C17 | H17 | 64.4° | 62.3° |
| C22 | C19 | H191 | H192 | 119.5° | 120.1° |
| C19 | C22 | H221 | H222 | 119.8° | 120.0° |
| C19 | C22 | N25 | H25 | 58.7° | 62.4° |
| C22 | N25 | C27 | H25 | 120.2° | 124.1° |
| C22 | N25 | C27 | C30 | 60.9° | 61.7° |
| N25 | C22 | C19 | H191 | 62.6° | 60.7° |
| N25 | C22 | C19 | H192 | 177.8° | 179.2° |
| N25 | C22 | H221 | H222 | 119.8° | 119.9° |
| C22 | N25 | C27 | H271 | 179.0° | 178.3° |
| C22 | N25 | C27 | H272 | 59.2° | 58.2° |
| N25 | C27 | C30 | H271 | 120.1° | 120.0° |
| N25 | C27 | C30 | H272 | 120.1° | 120.0° |
| N25 | C27 | C30 | H301 | 176.8° | 179.1° |
| N25 | C27 | C30 | H302 | 63.7° | 60.8° |
| C27 | N25 | C22 | H221 | 178.4° | 178.2° |
| C27 | N25 | C22 | H222 | 58.6° | 58.3° |
| N25 | C27 | H271 | H272 | 119.8° | 120.0° |
| C27 | C30 | C17 | H17 | 64.7° | 62.2° |
| C27 | C30 | H301 | H302 | 119.3° | 120.0° |
| C30 | C27 | N25 | H25 | 59.3° | 62.4° |
| C30 | C27 | H271 | H272 | 119.8° | 120.0° |
| C33 | N34 | C36 | H34 | 180.0° | 179.7° |
| C33 | N34 | C36 | O37 | 179.8° | 179.7° |
| O37 | C36 | N34 | H34 | 0.2° | 0.0° |
| H011 | C01 | H012 | H013 | 120.0° | 120.1° |
| H09 | C09 | C11 | H11 | 0.1° | 0.0° |
| H15 | N15 | C17 | H17 | 158.5° | 145.1° |
| H17 | C17 | C19 | H191 | 175.5° | 177.8° |
| H17 | C17 | C19 | H192 | 55.8° | 57.7° |
| H17 | C17 | C30 | H301 | 55.5° | 57.7° |
| H17 | C17 | C30 | H302 | 175.0° | 177.8° |
| H191 | C19 | C22 | H221 | 57.5° | 59.3° |
| H191 | C19 | C22 | H222 | 177.4° | 179.3° |
| H192 | C19 | C22 | H221 | 62.2° | 60.8° |
| H192 | C19 | C22 | H222 | 57.7° | 59.2° |
| H301 | C30 | C27 | H271 | 63.1° | 60.9° |
| H301 | C30 | C27 | H272 | 56.7° | 59.2° |
| H302 | C30 | C27 | H271 | 56.4° | 59.2° |
| H302 | C30 | C27 | H272 | 176.3° | 179.2° |
| H221 | C22 | N25 | H25 | 61.3° | 57.7° |
| H222 | C22 | N25 | H25 | 178.8° | 177.6° |
| H25 | N25 | C27 | H271 | 60.7° | 57.6° |
| H25 | N25 | C27 | H272 | 179.4° | 177.7° |






