NWX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N33 | C03 | sing | 1.38Å | 1.39Å | |
| N04 | C03 | doub | 1.32Å | 1.34Å | Aromatic |
| N04 | C05 | sing | 1.33Å | 1.35Å | Aromatic |
| C03 | C02 | sing | 1.41Å | 1.41Å | Aromatic |
| C05 | N06 | doub | 1.30Å | 1.35Å | Aromatic |
| C02 | C01 | doub | 1.38Å | 1.41Å | Aromatic |
| C02 | N07 | sing | 1.38Å | 1.41Å | Aromatic |
| N06 | N07 | sing | 1.40Å | 1.34Å | Aromatic |
| C01 | C09 | sing | 1.40Å | 1.38Å | Aromatic |
| N07 | C08 | sing | 1.35Å | 1.39Å | Aromatic |
| N32 | C31 | trip | 1.14Å | 1.16Å | |
| C09 | C08 | doub | 1.36Å | 1.40Å | Aromatic |
| C08 | C10 | sing | 1.51Å | 1.54Å | |
| C31 | C10 | sing | 1.47Å | 1.48Å | |
| C10 | O14 | sing | 1.44Å | 1.44Å | |
| C10 | C11 | sing | 1.54Å | 1.55Å | |
| O14 | C13 | sing | 1.44Å | 1.42Å | |
| O19 | P17 | doub | 1.48Å | 1.50Å | |
| C11 | O30 | sing | 1.43Å | 1.43Å | |
| C11 | C12 | sing | 1.55Å | 1.53Å | |
| O16 | P17 | sing | 1.61Å | 1.71Å | |
| O16 | C15 | sing | 1.43Å | 1.42Å | |
| P17 | O18 | sing | 1.61Å | 1.51Å | |
| P17 | O20 | sing | 1.61Å | 1.62Å | |
| C13 | C15 | sing | 1.53Å | 1.53Å | |
| C13 | C12 | sing | 1.54Å | 1.52Å | |
| C12 | O29 | sing | 1.43Å | 1.42Å | |
| O20 | P21 | sing | 1.61Å | 1.62Å | |
| P21 | O23 | doub | 1.48Å | 1.52Å | |
| P21 | O22 | sing | 1.61Å | 1.50Å | |
| P21 | O24 | sing | 1.61Å | 1.62Å | |
| O28 | P25 | doub | 1.48Å | 1.52Å | |
| O24 | P25 | sing | 1.61Å | 1.64Å | |
| O27 | P25 | sing | 1.61Å | 1.53Å | |
| P25 | O26 | sing | 1.61Å | 1.51Å | |
| C01 | H1 | sing | 1.08Å | 1.08Å | |
| C05 | H2 | sing | 1.08Å | 1.08Å | |
| C09 | H3 | sing | 1.08Å | 1.08Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| O18 | H9 | sing | 0.97Å | 0.95Å | |
| O22 | H10 | sing | 0.97Å | 0.95Å | |
| O26 | H11 | sing | 0.97Å | 0.95Å | |
| O27 | H12 | sing | 0.97Å | 0.95Å | |
| O29 | H13 | sing | 0.97Å | 0.95Å | |
| O30 | H14 | sing | 0.97Å | 0.95Å | |
| N33 | H15 | sing | 0.97Å | 1.00Å | |
| N33 | H16 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N33 | C03 | N04 | 115.5° | 120.4° |
| N33 | C03 | C02 | 122.3° | 120.4° |
| C03 | N33 | H15 | 109.5° | 120.0° |
| C03 | N33 | H16 | 109.5° | 120.0° |
| C03 | N04 | C05 | 116.9° | 121.6° |
| N04 | C03 | C02 | 122.2° | 119.2° |
| N04 | C05 | N06 | 127.4° | 122.3° |
| N04 | C05 | H2 | 116.3° | 118.8° |
| C03 | C02 | C01 | 138.0° | 133.8° |
| C03 | C02 | N07 | 114.5° | 118.6° |
| C05 | N06 | N07 | 113.8° | 120.0° |
| N06 | C05 | H2 | 116.3° | 118.9° |
| C01 | C02 | N07 | 107.5° | 107.6° |
| C02 | C01 | C09 | 106.5° | 106.8° |
| C02 | C01 | H1 | 126.7° | 126.6° |
| C02 | N07 | N06 | 125.2° | 118.3° |
| C02 | N07 | C08 | 108.8° | 108.5° |
| N06 | N07 | C08 | 126.0° | 133.2° |
| C01 | C09 | C08 | 110.5° | 107.9° |
| C09 | C01 | H1 | 126.7° | 126.5° |
| C01 | C09 | H3 | 124.7° | 126.1° |
| N07 | C08 | C09 | 106.6° | 109.1° |
| N07 | C08 | C10 | 123.4° | 125.4° |
| N32 | C31 | C10 | 179.9° | 180.0° |
| C09 | C08 | C10 | 130.0° | 125.5° |
| C08 | C09 | H3 | 124.7° | 126.0° |
| C08 | C10 | C31 | 113.0° | 110.3° |
| C08 | C10 | O14 | 105.9° | 110.4° |
| C08 | C10 | C11 | 113.7° | 110.4° |
| C31 | C10 | O14 | 105.1° | 110.4° |
| C31 | C10 | C11 | 114.2° | 110.5° |
| O14 | C10 | C11 | 103.5° | 104.8° |
| C10 | O14 | C13 | 111.9° | 105.3° |
| C10 | C11 | O30 | 114.9° | 110.5° |
| C10 | C11 | C12 | 102.2° | 104.0° |
| C10 | C11 | H4 | 108.3° | 110.5° |
| O14 | C13 | C15 | 108.8° | 110.4° |
| O14 | C13 | C12 | 103.8° | 104.8° |
| O14 | C13 | H6 | 110.3° | 110.5° |
| O19 | P17 | O16 | 108.3° | 109.5° |
| O19 | P17 | O18 | 124.1° | 109.5° |
| O19 | P17 | O20 | 107.5° | 109.5° |
| O30 | C11 | C12 | 112.4° | 110.5° |
| O30 | C11 | H4 | 110.0° | 110.5° |
| C11 | O30 | H14 | 109.5° | 114.0° |
| C11 | C12 | C13 | 100.1° | 104.1° |
| C11 | C12 | O29 | 115.8° | 110.5° |
| C12 | C11 | H4 | 108.6° | 110.6° |
| C11 | C12 | H5 | 108.6° | 110.5° |
| P17 | O16 | C15 | 118.0° | 123.0° |
| O16 | P17 | O18 | 112.1° | 109.4° |
| O16 | P17 | O20 | 95.7° | 109.5° |
| O16 | C15 | C13 | 113.2° | 109.5° |
| O16 | C15 | H7 | 108.5° | 109.5° |
| O16 | C15 | H8 | 108.5° | 109.4° |
| O18 | P17 | O20 | 105.2° | 109.5° |
| P17 | O18 | H9 | 109.5° | 114.0° |
| P17 | O20 | P21 | 132.3° | 134.0° |
| C15 | C13 | C12 | 116.2° | 110.3° |
| C15 | C13 | H6 | 108.7° | 110.3° |
| C13 | C15 | H7 | 108.5° | 109.5° |
| C13 | C15 | H8 | 108.5° | 109.5° |
| C13 | C12 | O29 | 113.1° | 110.5° |
| C13 | C12 | H5 | 108.7° | 110.7° |
| C12 | C13 | H6 | 108.9° | 110.4° |
| O29 | C12 | H5 | 110.0° | 110.4° |
| C12 | O29 | H13 | 109.5° | 114.0° |
| O20 | P21 | O23 | 108.4° | 109.5° |
| O20 | P21 | O22 | 106.5° | 109.5° |
| O20 | P21 | O24 | 97.3° | 109.5° |
| O23 | P21 | O22 | 125.4° | 109.4° |
| O23 | P21 | O24 | 109.2° | 109.5° |
| O22 | P21 | O24 | 106.4° | 109.4° |
| P21 | O22 | H10 | 109.5° | 114.0° |
| P21 | O24 | P25 | 125.6° | 134.0° |
| O28 | P25 | O24 | 108.4° | 109.5° |
| O28 | P25 | O27 | 112.6° | 109.5° |
| O28 | P25 | O26 | 109.8° | 109.5° |
| O24 | P25 | O27 | 107.8° | 109.5° |
| O24 | P25 | O26 | 105.7° | 109.5° |
| O27 | P25 | O26 | 112.4° | 109.5° |
| P25 | O27 | H12 | 109.5° | 114.0° |
| P25 | O26 | H11 | 109.5° | 114.0° |
| H7 | C15 | H8 | 109.5° | 109.5° |
| H15 | N33 | H16 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N33 | C03 | N04 | C02 | 180.0° | 179.9° |
| N33 | C03 | N04 | C05 | 180.0° | 180.0° |
| N33 | C03 | C02 | C01 | 0.1° | 0.0° |
| N33 | C03 | C02 | N07 | 180.0° | 179.9° |
| C03 | N33 | H15 | H16 | 120.0° | 179.9° |
| C03 | N04 | C05 | N06 | 0.0° | 0.0° |
| N04 | C03 | C02 | C01 | 179.9° | 180.0° |
| N04 | C03 | C02 | N07 | 0.0° | 0.0° |
| C03 | N04 | C05 | H2 | 180.0° | 180.0° |
| N04 | C03 | N33 | H15 | 0.0° | 179.9° |
| N04 | C03 | N33 | H16 | 120.0° | 0.0° |
| C05 | N04 | C03 | C02 | 0.0° | 0.0° |
| N04 | C05 | N06 | H2 | 180.0° | 180.0° |
| N04 | C05 | N06 | N07 | 0.0° | 0.0° |
| C03 | C02 | C01 | N07 | 180.0° | 180.0° |
| C03 | C02 | N07 | N06 | 0.0° | 0.0° |
| C03 | C02 | C01 | C09 | 180.0° | 180.0° |
| C03 | C02 | N07 | C08 | 179.9° | 180.0° |
| C03 | C02 | C01 | H1 | 0.1° | 0.2° |
| C02 | C03 | N33 | H15 | 180.0° | 0.0° |
| C02 | C03 | N33 | H16 | 60.0° | 180.0° |
| C05 | N06 | N07 | C02 | 0.0° | 0.1° |
| C05 | N06 | N07 | C08 | 179.9° | 180.0° |
| C01 | C02 | N07 | N06 | 180.0° | 180.0° |
| C02 | C01 | C09 | H1 | 180.0° | 179.8° |
| C01 | C02 | N07 | C08 | 0.1° | 0.0° |
| C02 | C01 | C09 | C08 | 0.2° | 0.0° |
| C02 | C01 | C09 | H3 | 179.8° | 179.8° |
| C02 | N07 | N06 | C08 | 179.9° | 180.0° |
| N07 | C02 | C01 | C09 | 0.1° | 0.0° |
| C02 | N07 | C08 | C09 | 0.2° | 0.0° |
| C02 | N07 | C08 | C10 | 179.7° | 180.0° |
| N07 | C02 | C01 | H1 | 179.9° | 179.8° |
| N06 | N07 | C08 | C09 | 179.9° | 179.9° |
| N06 | N07 | C08 | C10 | 0.4° | 0.0° |
| N07 | N06 | C05 | H2 | 180.0° | 179.9° |
| C01 | C09 | C08 | N07 | 0.2° | 0.0° |
| C01 | C09 | C08 | H3 | 180.0° | 179.8° |
| C01 | C09 | C08 | C10 | 179.7° | 180.0° |
| N07 | C08 | C09 | C10 | 179.5° | 179.9° |
| N07 | C08 | C10 | C31 | 45.4° | 65.8° |
| N07 | C08 | C10 | O14 | 160.0° | 56.5° |
| N07 | C08 | C10 | C11 | 87.0° | 171.8° |
| N07 | C08 | C09 | H3 | 179.8° | 179.8° |
| N32 | C31 | C10 | C08 | 44.6° | 96.3° |
| N32 | C31 | C10 | O14 | 70.4° | 25.9° |
| N32 | C31 | C10 | C11 | 176.8° | 141.4° |
| C09 | C08 | C10 | C31 | 134.0° | 114.1° |
| C09 | C08 | C10 | O14 | 19.4° | 123.6° |
| C09 | C08 | C10 | C11 | 93.6° | 8.2° |
| C08 | C09 | C01 | H1 | 179.8° | 179.8° |
| C08 | C10 | C31 | O14 | 115.0° | 122.2° |
| C08 | C10 | C31 | C11 | 132.2° | 122.3° |
| C08 | C10 | O14 | C11 | 119.9° | 118.8° |
| C08 | C10 | O14 | C13 | 119.1° | 159.3° |
| C08 | C10 | C11 | O30 | 149.8° | 98.6° |
| C08 | C10 | C11 | C12 | 88.1° | 142.8° |
| C10 | C08 | C09 | H3 | 0.3° | 0.1° |
| C08 | C10 | C11 | H4 | 26.4° | 24.0° |
| C31 | C10 | O14 | C11 | 120.2° | 118.9° |
| C31 | C10 | O14 | C13 | 121.0° | 78.5° |
| C31 | C10 | C11 | O30 | 18.0° | 23.7° |
| C31 | C10 | C11 | C12 | 140.0° | 94.9° |
| C31 | C10 | C11 | H4 | 105.5° | 146.3° |
| O14 | C10 | C11 | O30 | 95.8° | 142.6° |
| O14 | C10 | C11 | C12 | 26.3° | 24.0° |
| C10 | O14 | C13 | C15 | 149.8° | 159.3° |
| C10 | O14 | C13 | C12 | 25.4° | 40.5° |
| O14 | C10 | C11 | H4 | 140.8° | 94.8° |
| C10 | O14 | C13 | H6 | 91.1° | 78.4° |
| C11 | C10 | O14 | C13 | 0.8° | 40.5° |
| C10 | C11 | O30 | C12 | 116.4° | 114.6° |
| C10 | C11 | O30 | H4 | 122.5° | 122.6° |
| C10 | C11 | C12 | H4 | 114.3° | 118.7° |
| C10 | C11 | C12 | C13 | 40.3° | 0.0° |
| C10 | C11 | C12 | O29 | 162.2° | 118.7° |
| C10 | C11 | C12 | H5 | 73.5° | 118.8° |
| C10 | C11 | O30 | H14 | 180.0° | 180.0° |
| O14 | C13 | C12 | C11 | 40.4° | 24.0° |
| O14 | C13 | C15 | O16 | 38.5° | 69.6° |
| O14 | C13 | C15 | C12 | 116.7° | 115.4° |
| O14 | C13 | C15 | H6 | 120.1° | 122.4° |
| O14 | C13 | C12 | H6 | 117.5° | 119.0° |
| O14 | C13 | C12 | O29 | 164.2° | 142.6° |
| O14 | C13 | C12 | H5 | 73.3° | 94.7° |
| O14 | C13 | C15 | H7 | 159.1° | 170.4° |
| O14 | C13 | C15 | H8 | 82.0° | 50.3° |
| O19 | P17 | O16 | O18 | 140.5° | 120.0° |
| O19 | P17 | O16 | O20 | 110.6° | 120.0° |
| O19 | P17 | O16 | C15 | 178.8° | 54.9° |
| O19 | P17 | O18 | O20 | 124.1° | 120.0° |
| O19 | P17 | O20 | P21 | 151.4° | 45.0° |
| O19 | P17 | O18 | H9 | 136.9° | 180.0° |
| O30 | C11 | C12 | H4 | 121.9° | 122.7° |
| O30 | C11 | C12 | C13 | 83.5° | 118.6° |
| O30 | C11 | C12 | O29 | 38.4° | 0.0° |
| O30 | C11 | C12 | H5 | 162.7° | 122.5° |
| C11 | C12 | C13 | C15 | 159.9° | 142.8° |
| C11 | C12 | C13 | O29 | 123.8° | 118.6° |
| C11 | C12 | C13 | H5 | 113.7° | 118.7° |
| C11 | C12 | O29 | H5 | 123.5° | 122.6° |
| C11 | C12 | C13 | H6 | 77.0° | 95.0° |
| C11 | C12 | O29 | H13 | 180.0° | 61.5° |
| C12 | C11 | O30 | H14 | 63.6° | 65.3° |
| O16 | P17 | O18 | O20 | 102.8° | 120.0° |
| P17 | O16 | C15 | C13 | 169.2° | 180.0° |
| O16 | P17 | O20 | P21 | 97.4° | 165.0° |
| P17 | O16 | C15 | H7 | 48.7° | 59.9° |
| P17 | O16 | C15 | H8 | 70.3° | 60.0° |
| O16 | P17 | O18 | H9 | 89.9° | 60.0° |
| C15 | O16 | P17 | O18 | 38.3° | 65.1° |
| C15 | O16 | P17 | O20 | 70.6° | 175.0° |
| O16 | C15 | C13 | H7 | 120.5° | 120.0° |
| O16 | C15 | C13 | H8 | 120.5° | 119.9° |
| O16 | C15 | C13 | C12 | 78.1° | 175.0° |
| O16 | C15 | C13 | H6 | 158.7° | 52.8° |
| O16 | C15 | H7 | H8 | 118.3° | 119.9° |
| O18 | P17 | O20 | P21 | 17.4° | 75.0° |
| P17 | O20 | P21 | O23 | 7.0° | 40.0° |
| P17 | O20 | P21 | O22 | 130.3° | 80.0° |
| P17 | O20 | P21 | O24 | 120.1° | 160.0° |
| O20 | P17 | O18 | H9 | 12.9° | 60.0° |
| C15 | C13 | C12 | H6 | 123.1° | 122.2° |
| C15 | C13 | C12 | O29 | 76.3° | 98.6° |
| C15 | C13 | C12 | H5 | 46.2° | 24.1° |
| C13 | C15 | H7 | H8 | 118.3° | 120.1° |
| C13 | C12 | O29 | H5 | 121.8° | 122.8° |
| C13 | C12 | C11 | H4 | 154.6° | 118.7° |
| C12 | C13 | C15 | H7 | 42.4° | 55.0° |
| C12 | C13 | C15 | H8 | 161.3° | 65.1° |
| C13 | C12 | O29 | H13 | 65.3° | 176.1° |
| O29 | C12 | C11 | H4 | 83.5° | 122.7° |
| O29 | C12 | C13 | H6 | 46.8° | 23.6° |
| O20 | P21 | O23 | O22 | 127.2° | 120.0° |
| O20 | P21 | O23 | O24 | 104.9° | 120.1° |
| O20 | P21 | O22 | O24 | 103.0° | 120.0° |
| O20 | P21 | O24 | P25 | 105.6° | 165.0° |
| O20 | P21 | O22 | H10 | 128.0° | 60.0° |
| O23 | P21 | O22 | O24 | 129.0° | 120.0° |
| O23 | P21 | O24 | P25 | 6.9° | 44.9° |
| O23 | P21 | O22 | H10 | 0.0° | 180.0° |
| O22 | P21 | O24 | P25 | 144.7° | 75.0° |
| P21 | O24 | P25 | O28 | 126.6° | 39.9° |
| P21 | O24 | P25 | O27 | 4.6° | 159.9° |
| P21 | O24 | P25 | O26 | 115.8° | 80.1° |
| O24 | P21 | O22 | H10 | 129.0° | 60.0° |
| O28 | P25 | O24 | O27 | 122.1° | 120.0° |
| O28 | P25 | O24 | O26 | 117.6° | 120.0° |
| O28 | P25 | O27 | O26 | 124.5° | 120.0° |
| O28 | P25 | O26 | H11 | 0.0° | 179.9° |
| O28 | P25 | O27 | H12 | 128.2° | 60.0° |
| O24 | P25 | O27 | O26 | 116.0° | 120.0° |
| O24 | P25 | O26 | H11 | 116.7° | 59.9° |
| O24 | P25 | O27 | H12 | 8.8° | 180.0° |
| O27 | P25 | O26 | H11 | 126.1° | 60.0° |
| O26 | P25 | O27 | H12 | 107.2° | 60.0° |
| H1 | C01 | C09 | H3 | 0.2° | 0.0° |
| H4 | C11 | C12 | H5 | 40.8° | 0.2° |
| H4 | C11 | O30 | H14 | 57.5° | 57.5° |
| H5 | C12 | C13 | H6 | 169.3° | 146.3° |
| H5 | C12 | O29 | H13 | 56.5° | 61.1° |
| H6 | C13 | C15 | H7 | 80.8° | 67.2° |
| H6 | C13 | C15 | H8 | 38.1° | 172.7° |
