EEW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N4 | C4 | sing | 1.47Å | 1.48Å | |
| C11 | C10 | sing | 1.51Å | 1.50Å | |
| O10 | C10 | doub | 1.21Å | 1.23Å | |
| C4 | C3 | sing | 1.53Å | 1.55Å | |
| C4 | C5 | sing | 1.53Å | 1.57Å | |
| C10 | N5 | sing | 1.35Å | 1.35Å | |
| C3 | C2 | sing | 1.50Å | 1.40Å | |
| N5 | C5 | sing | 1.47Å | 1.48Å | |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| OP1 | P | doub | 1.48Å | 1.51Å | |
| C2 | P | sing | 1.81Å | 1.76Å | |
| C2 | C7 | doub | 1.29Å | 1.39Å | |
| CP1 | OP3 | sing | 1.43Å | 1.42Å | |
| OP3 | P | sing | 1.61Å | 1.62Å | |
| P | OP2 | sing | 1.61Å | 1.52Å | |
| C6 | C7 | sing | 1.50Å | 1.43Å | |
| C6 | O7 | sing | 1.43Å | 1.44Å | |
| O7 | C8 | sing | 1.43Å | 1.47Å | |
| C82 | C81 | sing | 1.53Å | 1.53Å | |
| C8 | C81 | sing | 1.53Å | 1.53Å | |
| C8 | C9 | sing | 1.53Å | 1.59Å | |
| C9 | C91 | sing | 1.53Å | 1.50Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.09Å | 1.10Å | |
| C91 | H13 | sing | 1.09Å | 1.10Å | |
| C91 | H14 | sing | 1.09Å | 1.10Å | |
| C91 | H15 | sing | 1.09Å | 1.10Å | |
| C81 | H16 | sing | 1.09Å | 1.10Å | |
| C81 | H17 | sing | 1.09Å | 1.10Å | |
| C82 | H18 | sing | 1.09Å | 1.10Å | |
| C82 | H19 | sing | 1.09Å | 1.10Å | |
| C82 | H20 | sing | 1.09Å | 1.10Å | |
| OP2 | H21 | sing | 0.97Å | 0.95Å | |
| CP1 | H22 | sing | 1.09Å | 1.10Å | |
| CP1 | H23 | sing | 1.09Å | 1.10Å | |
| CP1 | H24 | sing | 1.09Å | 1.10Å | |
| N4 | H25 | sing | 1.01Å | 1.00Å | |
| N4 | H26 | sing | 1.01Å | 1.00Å | |
| N5 | H28 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N4 | C4 | C3 | 111.7° | 109.6° |
| N4 | C4 | C5 | 109.4° | 109.6° |
| N4 | C4 | H1 | 109.9° | 109.8° |
| C4 | N4 | H25 | 109.5° | 111.0° |
| C4 | N4 | H26 | 109.5° | 111.0° |
| C11 | C10 | O10 | 120.8° | 120.0° |
| C11 | C10 | N5 | 115.0° | 120.0° |
| C10 | C11 | H4 | 109.5° | 109.4° |
| C10 | C11 | H5 | 109.5° | 109.5° |
| C10 | C11 | H6 | 109.4° | 109.5° |
| O10 | C10 | N5 | 124.1° | 120.0° |
| C3 | C4 | C5 | 108.2° | 108.5° |
| C4 | C3 | C2 | 112.8° | 110.1° |
| C3 | C4 | H1 | 108.9° | 109.6° |
| C4 | C3 | H11 | 108.6° | 109.3° |
| C4 | C3 | H12 | 108.6° | 109.4° |
| C4 | C5 | N5 | 111.5° | 109.7° |
| C4 | C5 | C6 | 107.5° | 108.4° |
| C5 | C4 | H1 | 108.7° | 109.7° |
| C4 | C5 | H2 | 108.7° | 109.7° |
| C10 | N5 | C5 | 122.7° | 120.0° |
| C10 | N5 | H28 | 118.6° | 120.0° |
| C3 | C2 | P | 117.0° | 118.0° |
| C3 | C2 | C7 | 121.4° | 124.1° |
| C2 | C3 | H11 | 108.6° | 109.4° |
| C2 | C3 | H12 | 108.6° | 109.3° |
| N5 | C5 | C6 | 109.8° | 109.6° |
| N5 | C5 | H2 | 109.9° | 109.8° |
| C5 | N5 | H28 | 118.7° | 120.0° |
| C5 | C6 | C7 | 112.1° | 110.1° |
| C5 | C6 | O7 | 110.5° | 109.3° |
| C6 | C5 | H2 | 109.5° | 109.7° |
| C5 | C6 | H3 | 107.5° | 109.4° |
| OP1 | P | C2 | 111.7° | 109.4° |
| OP1 | P | OP3 | 107.9° | 109.5° |
| OP1 | P | OP2 | 113.0° | 109.4° |
| P | C2 | C7 | 121.4° | 118.0° |
| C2 | P | OP3 | 102.6° | 109.5° |
| C2 | P | OP2 | 112.5° | 109.5° |
| C2 | C7 | C6 | 124.8° | 124.1° |
| C2 | C7 | H7 | 117.6° | 118.0° |
| CP1 | OP3 | P | 117.4° | 123.0° |
| OP3 | CP1 | H22 | 109.5° | 109.5° |
| OP3 | CP1 | H23 | 109.5° | 109.4° |
| OP3 | CP1 | H24 | 109.5° | 109.5° |
| OP3 | P | OP2 | 108.4° | 109.5° |
| P | OP2 | H21 | 109.5° | 114.0° |
| C7 | C6 | O7 | 109.8° | 109.4° |
| C7 | C6 | H3 | 108.4° | 109.4° |
| C6 | C7 | H7 | 117.6° | 117.9° |
| C6 | O7 | C8 | 114.2° | 114.0° |
| O7 | C6 | H3 | 108.3° | 109.2° |
| O7 | C8 | C81 | 104.4° | 109.5° |
| O7 | C8 | C9 | 113.4° | 109.5° |
| O7 | C8 | H8 | 108.6° | 109.5° |
| C82 | C81 | C8 | 111.3° | 109.5° |
| C82 | C81 | H16 | 109.0° | 109.5° |
| C82 | C81 | H17 | 109.0° | 109.4° |
| C81 | C82 | H18 | 109.5° | 109.4° |
| C81 | C82 | H19 | 109.5° | 109.5° |
| C81 | C82 | H20 | 109.4° | 109.4° |
| C81 | C8 | C9 | 115.2° | 109.5° |
| C81 | C8 | H8 | 107.9° | 109.4° |
| C8 | C81 | H16 | 109.0° | 109.5° |
| C8 | C81 | H17 | 109.0° | 109.5° |
| C8 | C9 | C91 | 111.9° | 109.5° |
| C9 | C8 | H8 | 107.2° | 109.5° |
| C8 | C9 | H9 | 108.9° | 109.4° |
| C8 | C9 | H10 | 108.9° | 109.5° |
| C91 | C9 | H9 | 108.8° | 109.4° |
| C91 | C9 | H10 | 108.9° | 109.5° |
| C9 | C91 | H13 | 109.5° | 109.5° |
| C9 | C91 | H14 | 109.5° | 109.5° |
| C9 | C91 | H15 | 109.5° | 109.5° |
| H4 | C11 | H5 | 109.4° | 109.5° |
| H4 | C11 | H6 | 109.5° | 109.5° |
| H5 | C11 | H6 | 109.5° | 109.4° |
| H9 | C9 | H10 | 109.5° | 109.5° |
| H11 | C3 | H12 | 109.5° | 109.3° |
| H13 | C91 | H14 | 109.5° | 109.4° |
| H13 | C91 | H15 | 109.4° | 109.4° |
| H14 | C91 | H15 | 109.5° | 109.5° |
| H16 | C81 | H17 | 109.5° | 109.4° |
| H18 | C82 | H19 | 109.4° | 109.5° |
| H18 | C82 | H20 | 109.5° | 109.5° |
| H19 | C82 | H20 | 109.5° | 109.5° |
| H22 | CP1 | H23 | 109.4° | 109.4° |
| H22 | CP1 | H24 | 109.5° | 109.6° |
| H23 | CP1 | H24 | 109.5° | 109.5° |
| H25 | N4 | H26 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N4 | C4 | C3 | C5 | 120.4° | 119.7° |
| N4 | C4 | C3 | H1 | 121.6° | 120.6° |
| N4 | C4 | C5 | H1 | 120.0° | 120.6° |
| N4 | C4 | C3 | C2 | 170.6° | 169.1° |
| N4 | C4 | C5 | N5 | 53.7° | 53.2° |
| N4 | C4 | C5 | C6 | 174.0° | 172.8° |
| N4 | C4 | C5 | H2 | 67.5° | 67.4° |
| N4 | C4 | C3 | H11 | 68.9° | 70.7° |
| N4 | C4 | C3 | H12 | 50.2° | 48.9° |
| C4 | N4 | H25 | H26 | 120.0° | 124.0° |
| C11 | C10 | O10 | N5 | 177.9° | 180.0° |
| C11 | C10 | N5 | C5 | 179.6° | 180.0° |
| C10 | C11 | H4 | H5 | 120.0° | 120.0° |
| C10 | C11 | H4 | H6 | 120.0° | 120.0° |
| C10 | C11 | H5 | H6 | 120.0° | 120.0° |
| C11 | C10 | N5 | H28 | 0.4° | 0.0° |
| O10 | C10 | N5 | C5 | 2.4° | 0.0° |
| O10 | C10 | C11 | H4 | 0.0° | 90.0° |
| O10 | C10 | C11 | H5 | 120.0° | 30.0° |
| O10 | C10 | C11 | H6 | 120.0° | 150.0° |
| O10 | C10 | N5 | H28 | 177.5° | 180.0° |
| C3 | C4 | C5 | H1 | 118.1° | 119.7° |
| C4 | C3 | C2 | H11 | 120.5° | 120.2° |
| C4 | C3 | C2 | H12 | 120.5° | 120.2° |
| C3 | C4 | C5 | N5 | 175.6° | 172.9° |
| C3 | C4 | C5 | C6 | 64.1° | 67.5° |
| C4 | C3 | C2 | P | 164.3° | 162.9° |
| C4 | C3 | C2 | C7 | 21.3° | 17.0° |
| C3 | C4 | C5 | H2 | 54.4° | 52.2° |
| C4 | C3 | H11 | H12 | 118.5° | 119.7° |
| C3 | C4 | N4 | H25 | 180.0° | 60.0° |
| C3 | C4 | N4 | H26 | 60.0° | 176.1° |
| C4 | C5 | N5 | C10 | 111.9° | 155.0° |
| C5 | C4 | C3 | C2 | 50.2° | 49.4° |
| C4 | C5 | N5 | C6 | 119.0° | 118.9° |
| C4 | C5 | N5 | H2 | 120.5° | 120.6° |
| C4 | C5 | C6 | H2 | 117.9° | 119.7° |
| C4 | C5 | C6 | C7 | 48.4° | 49.4° |
| C4 | C5 | C6 | O7 | 171.3° | 169.7° |
| C4 | C5 | C6 | H3 | 70.6° | 70.8° |
| C5 | C4 | C3 | H11 | 170.7° | 169.6° |
| C5 | C4 | C3 | H12 | 70.3° | 70.7° |
| C5 | C4 | N4 | H25 | 60.3° | 178.9° |
| C5 | C4 | N4 | H26 | 59.8° | 57.1° |
| C4 | C5 | N5 | H28 | 68.1° | 25.0° |
| C10 | N5 | C5 | H28 | 180.0° | 180.0° |
| C10 | N5 | C5 | C6 | 129.1° | 86.1° |
| C10 | N5 | C5 | H2 | 8.7° | 34.5° |
| N5 | C10 | C11 | H4 | 178.0° | 90.0° |
| N5 | C10 | C11 | H5 | 62.0° | 150.0° |
| N5 | C10 | C11 | H6 | 58.0° | 30.0° |
| C3 | C2 | P | OP1 | 43.3° | 60.0° |
| C3 | C2 | P | C7 | 174.4° | 179.9° |
| C3 | C2 | P | OP3 | 72.0° | 180.0° |
| C3 | C2 | P | OP2 | 171.7° | 60.0° |
| C3 | C2 | C7 | C6 | 5.5° | 0.4° |
| C2 | C3 | C4 | H1 | 67.8° | 70.3° |
| C3 | C2 | C7 | H7 | 174.5° | 179.5° |
| C2 | C3 | H11 | H12 | 118.5° | 119.7° |
| N5 | C5 | C6 | H2 | 120.7° | 120.6° |
| N5 | C5 | C6 | C7 | 169.8° | 169.1° |
| N5 | C5 | C6 | O7 | 67.3° | 70.7° |
| N5 | C5 | C4 | H1 | 66.3° | 67.4° |
| N5 | C5 | C6 | H3 | 50.8° | 48.9° |
| C5 | C6 | C7 | C2 | 20.3° | 17.1° |
| C5 | C6 | C7 | O7 | 123.3° | 120.2° |
| C5 | C6 | C7 | H3 | 118.5° | 120.3° |
| C5 | C6 | O7 | H3 | 117.5° | 119.7° |
| C5 | C6 | O7 | C8 | 110.0° | 150.0° |
| C6 | C5 | C4 | H1 | 54.0° | 52.2° |
| C5 | C6 | C7 | H7 | 159.7° | 162.8° |
| C6 | C5 | N5 | H28 | 50.9° | 94.0° |
| OP1 | P | C2 | OP3 | 115.3° | 120.0° |
| OP1 | P | C2 | OP2 | 128.4° | 120.0° |
| OP1 | P | C2 | C7 | 142.3° | 120.1° |
| OP1 | P | OP3 | CP1 | 42.6° | 55.0° |
| OP1 | P | OP3 | OP2 | 122.7° | 120.0° |
| OP1 | P | OP2 | H21 | 0.0° | 180.0° |
| C2 | P | OP3 | CP1 | 160.6° | 175.0° |
| C2 | P | OP3 | OP2 | 119.2° | 120.1° |
| P | C2 | C7 | C6 | 179.7° | 179.5° |
| P | C2 | C7 | H7 | 0.3° | 0.6° |
| P | C2 | C3 | H11 | 43.8° | 42.7° |
| P | C2 | C3 | H12 | 75.2° | 77.0° |
| C2 | P | OP2 | H21 | 127.7° | 60.0° |
| C7 | C2 | P | OP3 | 102.4° | 0.1° |
| C7 | C2 | P | OP2 | 13.9° | 119.9° |
| C2 | C7 | C6 | H7 | 180.0° | 179.9° |
| C2 | C7 | C6 | O7 | 143.6° | 137.3° |
| C2 | C7 | C6 | H3 | 98.2° | 103.2° |
| C7 | C2 | C3 | H11 | 141.7° | 137.2° |
| C7 | C2 | C3 | H12 | 99.2° | 103.1° |
| CP1 | OP3 | P | OP2 | 80.1° | 65.0° |
| OP3 | CP1 | H22 | H23 | 120.0° | 119.9° |
| OP3 | CP1 | H22 | H24 | 120.0° | 120.1° |
| OP3 | CP1 | H23 | H24 | 120.0° | 120.0° |
| OP3 | P | OP2 | H21 | 119.5° | 60.0° |
| P | OP3 | CP1 | H22 | 180.0° | 60.1° |
| P | OP3 | CP1 | H23 | 60.0° | 180.0° |
| P | OP3 | CP1 | H24 | 60.0° | 60.0° |
| C7 | C6 | O7 | H3 | 118.3° | 119.6° |
| C7 | C6 | O7 | C8 | 125.8° | 89.3° |
| C7 | C6 | C5 | H2 | 69.5° | 70.3° |
| C6 | O7 | C8 | C81 | 167.6° | 90.0° |
| C6 | O7 | C8 | C9 | 66.3° | 150.0° |
| O7 | C6 | C5 | H2 | 53.4° | 49.9° |
| O7 | C6 | C7 | H7 | 36.4° | 42.6° |
| C6 | O7 | C8 | H8 | 52.7° | 30.0° |
| O7 | C8 | C81 | C82 | 65.7° | 64.9° |
| O7 | C8 | C81 | C9 | 125.0° | 120.1° |
| O7 | C8 | C81 | H8 | 115.3° | 120.0° |
| O7 | C8 | C9 | H8 | 119.8° | 120.0° |
| O7 | C8 | C9 | C91 | 72.2° | 65.0° |
| C8 | O7 | C6 | H3 | 7.5° | 30.4° |
| O7 | C8 | C9 | H9 | 167.4° | 55.0° |
| O7 | C8 | C9 | H10 | 48.1° | 175.0° |
| O7 | C8 | C81 | H16 | 54.6° | 175.0° |
| O7 | C8 | C81 | H17 | 174.1° | 55.0° |
| C82 | C81 | C8 | H16 | 120.3° | 120.1° |
| C82 | C81 | C8 | H17 | 120.3° | 120.0° |
| C82 | C81 | C8 | C9 | 169.3° | 175.0° |
| C82 | C81 | C8 | H8 | 49.7° | 55.0° |
| C82 | C81 | H16 | H17 | 119.1° | 119.9° |
| C81 | C82 | H18 | H19 | 120.0° | 120.0° |
| C81 | C82 | H18 | H20 | 120.0° | 120.0° |
| C81 | C82 | H19 | H20 | 120.0° | 120.0° |
| C81 | C8 | C9 | H8 | 120.0° | 119.9° |
| C81 | C8 | C9 | C91 | 47.9° | 175.0° |
| C81 | C8 | C9 | H9 | 72.4° | 65.1° |
| C81 | C8 | C9 | H10 | 168.3° | 55.0° |
| C8 | C81 | H16 | H17 | 119.1° | 120.0° |
| C8 | C81 | C82 | H18 | 180.0° | 180.0° |
| C8 | C81 | C82 | H19 | 60.0° | 60.0° |
| C8 | C81 | C82 | H20 | 60.0° | 60.1° |
| C8 | C9 | C91 | H9 | 120.3° | 119.9° |
| C8 | C9 | C91 | H10 | 120.4° | 120.0° |
| C8 | C9 | H9 | H10 | 118.9° | 120.1° |
| C8 | C9 | C91 | H13 | 180.0° | 180.0° |
| C8 | C9 | C91 | H14 | 60.0° | 60.1° |
| C8 | C9 | C91 | H15 | 60.0° | 60.0° |
| C9 | C8 | C81 | H16 | 70.4° | 54.9° |
| C9 | C8 | C81 | H17 | 49.0° | 65.0° |
| C91 | C9 | C8 | H8 | 168.0° | 55.0° |
| C91 | C9 | H9 | H10 | 118.9° | 120.0° |
| C9 | C91 | H13 | H14 | 120.0° | 120.0° |
| C9 | C91 | H13 | H15 | 120.0° | 120.1° |
| C9 | C91 | H14 | H15 | 120.0° | 120.1° |
| H1 | C4 | C5 | H2 | 172.5° | 171.9° |
| H1 | C4 | C3 | H11 | 52.7° | 49.9° |
| H1 | C4 | C3 | H12 | 171.8° | 169.6° |
| H1 | C4 | N4 | H25 | 59.0° | 60.6° |
| H1 | C4 | N4 | H26 | 179.0° | 63.4° |
| H2 | C5 | C6 | H3 | 171.5° | 169.5° |
| H2 | C5 | N5 | H28 | 171.3° | 145.5° |
| H3 | C6 | C7 | H7 | 81.8° | 76.9° |
| H4 | C11 | H5 | H6 | 120.0° | 120.0° |
| H8 | C8 | C9 | H9 | 47.6° | 175.0° |
| H8 | C8 | C9 | H10 | 71.7° | 65.0° |
| H8 | C8 | C81 | H16 | 170.0° | 65.1° |
| H8 | C8 | C81 | H17 | 70.6° | 175.0° |
| H9 | C9 | C91 | H13 | 59.6° | 60.0° |
| H9 | C9 | C91 | H14 | 179.7° | 180.0° |
| H9 | C9 | C91 | H15 | 60.3° | 59.9° |
| H10 | C9 | C91 | H13 | 59.7° | 60.0° |
| H10 | C9 | C91 | H14 | 60.4° | 60.0° |
| H10 | C9 | C91 | H15 | 179.6° | 180.0° |
| H13 | C91 | H14 | H15 | 120.0° | 119.9° |
| H16 | C81 | C82 | H18 | 59.7° | 59.9° |
| H16 | C81 | C82 | H19 | 60.3° | 179.9° |
| H16 | C81 | C82 | H20 | 179.7° | 60.0° |
| H17 | C81 | C82 | H18 | 59.7° | 60.0° |
| H17 | C81 | C82 | H19 | 179.7° | 60.0° |
| H17 | C81 | C82 | H20 | 60.3° | 180.0° |
| H18 | C82 | H19 | H20 | 120.0° | 120.0° |
| H22 | CP1 | H23 | H24 | 120.0° | 120.1° |
