NE0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O32 | C31 | doub | 1.22Å | 1.19Å | |
| N33 | C31 | sing | 1.35Å | 1.35Å | |
| N33 | C02 | sing | 1.35Å | 1.36Å | |
| C31 | N05 | sing | 1.35Å | 1.35Å | |
| O01 | C02 | doub | 1.22Å | 1.20Å | |
| C02 | C03 | sing | 1.42Å | 1.41Å | |
| N05 | C06 | sing | 1.46Å | 1.38Å | |
| N05 | C04 | sing | 1.37Å | 1.37Å | |
| C06 | O07 | sing | 1.44Å | 1.58Å | |
| C06 | C25 | sing | 1.55Å | 1.54Å | |
| O07 | C08 | sing | 1.44Å | 1.31Å | |
| C03 | C04 | doub | 1.35Å | 1.40Å | |
| O26 | C25 | sing | 1.43Å | 1.49Å | |
| O26 | P27 | sing | 1.61Å | 1.64Å | |
| O28 | P27 | doub | 1.48Å | 1.54Å | |
| O30 | P27 | sing | 1.61Å | 1.52Å | |
| O17 | P15 | doub | 1.48Å | 1.52Å | |
| C25 | C23 | sing | 1.55Å | 1.32Å | |
| P27 | O29 | sing | 1.61Å | 1.53Å | |
| C08 | C23 | sing | 1.54Å | 1.67Å | |
| C08 | C09 | sing | 1.53Å | 1.52Å | |
| O18 | P15 | sing | 1.61Å | 1.60Å | |
| O18 | P19 | sing | 1.61Å | 1.68Å | |
| O14 | P15 | sing | 1.61Å | 1.60Å | |
| O14 | P11 | sing | 1.61Å | 1.63Å | |
| P15 | O16 | sing | 1.61Å | 1.54Å | |
| C23 | O24 | sing | 1.43Å | 1.48Å | |
| O22 | P19 | doub | 1.48Å | 1.52Å | |
| C09 | O10 | sing | 1.43Å | 1.44Å | |
| O20 | P19 | sing | 1.61Å | 1.51Å | |
| O10 | P11 | sing | 1.61Å | 1.67Å | |
| P19 | O21 | sing | 1.61Å | 1.58Å | |
| P11 | O12 | doub | 1.48Å | 1.52Å | |
| P11 | O13 | sing | 1.61Å | 1.53Å | |
| C03 | H1 | sing | 1.08Å | 1.08Å | |
| C04 | H2 | sing | 1.08Å | 1.08Å | |
| C06 | H3 | sing | 1.09Å | 1.10Å | |
| C08 | H4 | sing | 1.09Å | 1.10Å | |
| C09 | H5 | sing | 1.09Å | 1.10Å | |
| C09 | H6 | sing | 1.09Å | 1.10Å | |
| O13 | H7 | sing | 0.97Å | 0.95Å | |
| O16 | H8 | sing | 0.97Å | 0.95Å | |
| O20 | H9 | sing | 0.97Å | 0.95Å | |
| O21 | H10 | sing | 0.97Å | 0.95Å | |
| C23 | H11 | sing | 1.09Å | 1.10Å | |
| O24 | H12 | sing | 0.97Å | 0.95Å | |
| C25 | H13 | sing | 1.09Å | 1.10Å | |
| O29 | H14 | sing | 0.97Å | 0.95Å | |
| O30 | H15 | sing | 0.97Å | 0.95Å | |
| N33 | H16 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O32 | C31 | N33 | 119.6° | 119.6° |
| O32 | C31 | N05 | 117.8° | 119.5° |
| C31 | N33 | C02 | 119.7° | 120.3° |
| N33 | C31 | N05 | 122.4° | 120.9° |
| C31 | N33 | H16 | 120.1° | 119.8° |
| N33 | C02 | O01 | 121.3° | 120.3° |
| N33 | C02 | C03 | 119.4° | 119.4° |
| C02 | N33 | H16 | 120.1° | 119.9° |
| C31 | N05 | C06 | 117.5° | 119.7° |
| C31 | N05 | C04 | 120.2° | 120.6° |
| O01 | C02 | C03 | 119.3° | 120.3° |
| C02 | C03 | C04 | 119.3° | 119.1° |
| C02 | C03 | H1 | 120.3° | 120.4° |
| C06 | N05 | C04 | 122.2° | 119.7° |
| N05 | C06 | O07 | 114.6° | 110.4° |
| N05 | C06 | C25 | 118.0° | 110.3° |
| N05 | C06 | H3 | 108.4° | 110.4° |
| N05 | C04 | C03 | 118.8° | 119.7° |
| N05 | C04 | H2 | 120.6° | 120.2° |
| O07 | C06 | C25 | 102.8° | 104.8° |
| C06 | O07 | C08 | 108.4° | 105.3° |
| O07 | C06 | H3 | 105.9° | 110.4° |
| C06 | C25 | O26 | 103.3° | 110.5° |
| C06 | C25 | C23 | 100.4° | 104.1° |
| C25 | C06 | H3 | 106.3° | 110.4° |
| C06 | C25 | H13 | 111.8° | 110.5° |
| O07 | C08 | C23 | 102.4° | 104.8° |
| O07 | C08 | C09 | 111.7° | 110.3° |
| O07 | C08 | H4 | 113.4° | 110.3° |
| C04 | C03 | H1 | 120.4° | 120.5° |
| C03 | C04 | H2 | 120.6° | 120.2° |
| C25 | O26 | P27 | 115.9° | 123.0° |
| O26 | C25 | C23 | 111.5° | 110.5° |
| O26 | C25 | H13 | 112.7° | 110.6° |
| O26 | P27 | O28 | 101.2° | 109.4° |
| O26 | P27 | O30 | 113.3° | 109.5° |
| O26 | P27 | O29 | 105.2° | 109.5° |
| O28 | P27 | O30 | 115.7° | 109.5° |
| O28 | P27 | O29 | 113.4° | 109.5° |
| O30 | P27 | O29 | 107.5° | 109.5° |
| P27 | O30 | H15 | 109.5° | 114.0° |
| O17 | P15 | O18 | 107.1° | 109.5° |
| O17 | P15 | O14 | 110.2° | 109.4° |
| O17 | P15 | O16 | 112.4° | 109.5° |
| C25 | C23 | C08 | 103.7° | 104.1° |
| C25 | C23 | O24 | 116.5° | 110.5° |
| C25 | C23 | H11 | 111.0° | 110.7° |
| C23 | C25 | H13 | 115.6° | 110.5° |
| P27 | O29 | H14 | 109.5° | 114.0° |
| C23 | C08 | C09 | 111.0° | 110.4° |
| C08 | C23 | O24 | 109.8° | 110.5° |
| C23 | C08 | H4 | 108.1° | 110.4° |
| C08 | C23 | H11 | 106.5° | 110.5° |
| C08 | C09 | O10 | 109.3° | 109.5° |
| C09 | C08 | H4 | 110.0° | 110.4° |
| C08 | C09 | H5 | 109.5° | 109.4° |
| C08 | C09 | H6 | 109.5° | 109.5° |
| P15 | O18 | P19 | 127.7° | 134.0° |
| O18 | P15 | O14 | 104.3° | 109.5° |
| O18 | P15 | O16 | 110.6° | 109.5° |
| O18 | P19 | O22 | 98.7° | 109.4° |
| O18 | P19 | O20 | 101.0° | 109.5° |
| O18 | P19 | O21 | 109.8° | 109.5° |
| P15 | O14 | P11 | 124.7° | 134.0° |
| O14 | P15 | O16 | 111.8° | 109.5° |
| O14 | P11 | O10 | 102.6° | 109.5° |
| O14 | P11 | O12 | 110.6° | 109.5° |
| O14 | P11 | O13 | 111.9° | 109.4° |
| P15 | O16 | H8 | 109.5° | 114.0° |
| O24 | C23 | H11 | 108.8° | 110.4° |
| C23 | O24 | H12 | 109.5° | 114.0° |
| O22 | P19 | O20 | 116.5° | 109.5° |
| O22 | P19 | O21 | 116.7° | 109.5° |
| C09 | O10 | P11 | 119.4° | 123.0° |
| O10 | C09 | H5 | 109.5° | 109.5° |
| O10 | C09 | H6 | 109.5° | 109.5° |
| O20 | P19 | O21 | 111.7° | 109.5° |
| P19 | O20 | H9 | 109.5° | 114.0° |
| O10 | P11 | O12 | 110.5° | 109.5° |
| O10 | P11 | O13 | 112.7° | 109.5° |
| P19 | O21 | H10 | 109.5° | 114.0° |
| O12 | P11 | O13 | 108.5° | 109.5° |
| P11 | O13 | H7 | 109.5° | 114.0° |
| H5 | C09 | H6 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O32 | C31 | N33 | N05 | 175.7° | 179.7° |
| O32 | C31 | N33 | C02 | 179.1° | 179.7° |
| O32 | C31 | N05 | C06 | 3.9° | 0.1° |
| O32 | C31 | N05 | C04 | 180.0° | 180.0° |
| O32 | C31 | N33 | H16 | 0.9° | 0.3° |
| C31 | N33 | C02 | H16 | 180.0° | 179.5° |
| C31 | N33 | C02 | O01 | 178.0° | 179.8° |
| C31 | N33 | C02 | C03 | 3.2° | 0.6° |
| N33 | C31 | N05 | C06 | 179.7° | 179.8° |
| N33 | C31 | N05 | C04 | 4.1° | 0.3° |
| C02 | N33 | C31 | N05 | 5.1° | 0.6° |
| N33 | C02 | O01 | C03 | 178.8° | 179.6° |
| N33 | C02 | C03 | C04 | 0.4° | 0.3° |
| N33 | C02 | C03 | H1 | 179.5° | 179.7° |
| C31 | N05 | C06 | C04 | 176.1° | 180.0° |
| C31 | N05 | C06 | O07 | 153.3° | 53.5° |
| C31 | N05 | C06 | C25 | 85.4° | 61.9° |
| C31 | N05 | C04 | C03 | 1.2° | 0.0° |
| C31 | N05 | C04 | H2 | 178.8° | 180.0° |
| C31 | N05 | C06 | H3 | 35.3° | 175.8° |
| N05 | C31 | N33 | H16 | 174.9° | 180.0° |
| O01 | C02 | C03 | C04 | 179.3° | 180.0° |
| O01 | C02 | C03 | H1 | 0.7° | 0.1° |
| O01 | C02 | N33 | H16 | 2.0° | 0.3° |
| C02 | C03 | C04 | N05 | 0.6° | 0.1° |
| C02 | C03 | C04 | H1 | 180.0° | 179.9° |
| C02 | C03 | C04 | H2 | 179.4° | 179.9° |
| C03 | C02 | N33 | H16 | 176.8° | 179.9° |
| N05 | C06 | O07 | C25 | 129.2° | 118.8° |
| N05 | C06 | O07 | H3 | 119.4° | 122.3° |
| N05 | C06 | C25 | H3 | 121.8° | 122.3° |
| N05 | C06 | O07 | C08 | 118.7° | 159.3° |
| C06 | N05 | C04 | C03 | 177.2° | 180.0° |
| N05 | C06 | C25 | O26 | 155.2° | 98.5° |
| N05 | C06 | C25 | C23 | 89.5° | 142.8° |
| C06 | N05 | C04 | H2 | 2.8° | 0.0° |
| N05 | C06 | C25 | H13 | 33.7° | 24.2° |
| C04 | N05 | C06 | O07 | 22.8° | 126.5° |
| C04 | N05 | C06 | C25 | 98.4° | 118.2° |
| N05 | C04 | C03 | H2 | 180.0° | 180.0° |
| N05 | C04 | C03 | H1 | 179.5° | 180.0° |
| C04 | N05 | C06 | H3 | 140.8° | 4.1° |
| O07 | C06 | C25 | H3 | 111.0° | 118.9° |
| O07 | C06 | C25 | O26 | 77.7° | 142.6° |
| O07 | C06 | C25 | C23 | 37.6° | 23.9° |
| C06 | O07 | C08 | C23 | 15.0° | 40.5° |
| C06 | O07 | C08 | C09 | 133.8° | 159.4° |
| C06 | O07 | C08 | H4 | 101.2° | 78.4° |
| O07 | C06 | C25 | H13 | 160.8° | 94.7° |
| C25 | C06 | O07 | C08 | 10.5° | 40.5° |
| C06 | C25 | O26 | C23 | 107.1° | 114.7° |
| C06 | C25 | O26 | H13 | 120.9° | 122.7° |
| C06 | C25 | O26 | P27 | 156.3° | 120.0° |
| C06 | C25 | C23 | H13 | 120.5° | 118.6° |
| C06 | C25 | C23 | C08 | 46.2° | 0.0° |
| C06 | C25 | C23 | O24 | 166.9° | 118.7° |
| C06 | C25 | C23 | H11 | 67.8° | 118.7° |
| O07 | C08 | C23 | C25 | 41.8° | 24.0° |
| O07 | C08 | C23 | C09 | 119.3° | 118.8° |
| O07 | C08 | C23 | H4 | 119.9° | 118.8° |
| O07 | C08 | C09 | H4 | 126.8° | 122.2° |
| O07 | C08 | C23 | O24 | 167.0° | 142.6° |
| O07 | C08 | C09 | O10 | 68.4° | 66.4° |
| C08 | O07 | C06 | H3 | 121.9° | 78.4° |
| O07 | C08 | C09 | H5 | 51.5° | 173.6° |
| O07 | C08 | C09 | H6 | 171.6° | 53.6° |
| O07 | C08 | C23 | H11 | 75.4° | 94.8° |
| C25 | O26 | P27 | O28 | 64.7° | 55.0° |
| C25 | O26 | P27 | O30 | 170.8° | 175.0° |
| O26 | C25 | C23 | H13 | 130.5° | 122.7° |
| C25 | O26 | P27 | O29 | 53.6° | 65.0° |
| O26 | C25 | C23 | C08 | 62.7° | 118.6° |
| O26 | C25 | C23 | O24 | 58.0° | 0.0° |
| O26 | C25 | C06 | H3 | 33.3° | 23.7° |
| O26 | C25 | C23 | H11 | 176.7° | 122.6° |
| O26 | P27 | O28 | O30 | 122.9° | 120.0° |
| O26 | P27 | O28 | O29 | 112.2° | 120.0° |
| O26 | P27 | O30 | O29 | 115.8° | 120.0° |
| P27 | O26 | C25 | C23 | 96.7° | 125.3° |
| P27 | O26 | C25 | H13 | 35.4° | 2.7° |
| O26 | P27 | O29 | H14 | 109.8° | 60.1° |
| O26 | P27 | O30 | H15 | 116.3° | 179.9° |
| O28 | P27 | O30 | O29 | 127.9° | 120.0° |
| O28 | P27 | O29 | H14 | 0.0° | 180.0° |
| O28 | P27 | O30 | H15 | 0.0° | 60.0° |
| O30 | P27 | O29 | H14 | 129.1° | 59.9° |
| O17 | P15 | O18 | O14 | 116.8° | 120.0° |
| O17 | P15 | O18 | O16 | 122.8° | 120.0° |
| O17 | P15 | O18 | P19 | 134.8° | 40.0° |
| O17 | P15 | O14 | O16 | 125.8° | 120.0° |
| O17 | P15 | O14 | P11 | 142.1° | 45.0° |
| O17 | P15 | O16 | H8 | 0.0° | 180.0° |
| C25 | C23 | C08 | O24 | 125.1° | 118.6° |
| C25 | C23 | C08 | H11 | 117.2° | 118.8° |
| C25 | C23 | C08 | C09 | 161.1° | 142.8° |
| C25 | C23 | O24 | H11 | 126.4° | 122.8° |
| C23 | C25 | C06 | H3 | 148.6° | 94.9° |
| C25 | C23 | C08 | H4 | 78.1° | 94.8° |
| C25 | C23 | O24 | H12 | 180.0° | 176.0° |
| O29 | P27 | O30 | H15 | 127.9° | 60.1° |
| C23 | C08 | C09 | H4 | 119.6° | 122.4° |
| C08 | C23 | O24 | H11 | 116.2° | 122.6° |
| C23 | C08 | C09 | O10 | 45.2° | 178.2° |
| C23 | C08 | C09 | H5 | 165.1° | 58.2° |
| C23 | C08 | C09 | H6 | 74.8° | 61.8° |
| C08 | C23 | O24 | H12 | 62.6° | 61.4° |
| C08 | C23 | C25 | H13 | 166.7° | 118.7° |
| C09 | C08 | C23 | O24 | 73.7° | 98.6° |
| C08 | C09 | O10 | H5 | 120.0° | 119.9° |
| C08 | C09 | O10 | H6 | 120.0° | 120.0° |
| C08 | C09 | O10 | P11 | 159.4° | 180.0° |
| C08 | C09 | H5 | H6 | 120.1° | 120.0° |
| C09 | C08 | C23 | H11 | 43.9° | 24.0° |
| O18 | P15 | O14 | O16 | 119.6° | 120.0° |
| O18 | P15 | O14 | P11 | 103.2° | 165.0° |
| P15 | O18 | P19 | O22 | 145.3° | 40.0° |
| P15 | O18 | P19 | O20 | 95.4° | 80.0° |
| P15 | O18 | P19 | O21 | 22.7° | 160.0° |
| O18 | P15 | O16 | H8 | 119.7° | 60.0° |
| P19 | O18 | P15 | O14 | 108.3° | 160.0° |
| P19 | O18 | P15 | O16 | 12.0° | 80.0° |
| O18 | P19 | O22 | O20 | 107.0° | 120.0° |
| O18 | P19 | O22 | O21 | 117.4° | 120.0° |
| O18 | P19 | O20 | O21 | 116.7° | 120.0° |
| O18 | P19 | O20 | H9 | 105.7° | 60.0° |
| O18 | P19 | O21 | H10 | 111.2° | 180.0° |
| P15 | O14 | P11 | O10 | 146.8° | 160.0° |
| P15 | O14 | P11 | O12 | 95.3° | 40.0° |
| P15 | O14 | P11 | O13 | 25.8° | 80.0° |
| O14 | P15 | O16 | H8 | 124.6° | 60.1° |
| P11 | O14 | P15 | O16 | 16.4° | 75.0° |
| O14 | P11 | O10 | C09 | 56.9° | 175.0° |
| O14 | P11 | O10 | O12 | 117.9° | 120.0° |
| O14 | P11 | O10 | O13 | 120.5° | 120.0° |
| O14 | P11 | O12 | O13 | 123.1° | 120.0° |
| O14 | P11 | O13 | H7 | 122.3° | 60.0° |
| O24 | C23 | C08 | H4 | 47.1° | 23.8° |
| O24 | C23 | C25 | H13 | 72.5° | 122.7° |
| O22 | P19 | O20 | O21 | 137.7° | 120.0° |
| O22 | P19 | O20 | H9 | 0.0° | 180.0° |
| O22 | P19 | O21 | H10 | 0.0° | 60.0° |
| C09 | O10 | P11 | O12 | 174.8° | 55.0° |
| C09 | O10 | P11 | O13 | 63.6° | 65.1° |
| O10 | C09 | C08 | H4 | 164.7° | 55.8° |
| O10 | C09 | H5 | H6 | 120.1° | 120.0° |
| O20 | P19 | O21 | H10 | 137.6° | 60.0° |
| O10 | P11 | O12 | O13 | 124.0° | 120.0° |
| P11 | O10 | C09 | H5 | 39.4° | 60.1° |
| P11 | O10 | C09 | H6 | 80.6° | 60.0° |
| O10 | P11 | O13 | H7 | 122.6° | 59.9° |
| O21 | P19 | O20 | H9 | 137.6° | 60.0° |
| O12 | P11 | O13 | H7 | 0.0° | 179.9° |
| H1 | C03 | C04 | H2 | 0.5° | 0.0° |
| H3 | C06 | C25 | H13 | 88.1° | 146.5° |
| H4 | C08 | C09 | H5 | 75.3° | 64.2° |
| H4 | C08 | C09 | H6 | 44.8° | 175.8° |
| H4 | C08 | C23 | H11 | 164.7° | 146.3° |
| H11 | C23 | O24 | H12 | 53.6° | 61.2° |
| H11 | C23 | C25 | H13 | 52.7° | 0.1° |
