37E
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N2 | sing | 1.47Å | 1.45Å | |
| C1 | C3 | sing | 1.53Å | 1.53Å | |
| N2 | C5 | sing | 1.47Å | 1.43Å | |
| C3 | N10 | sing | 1.47Å | 1.42Å | |
| C3 | P11 | sing | 1.82Å | 1.81Å | |
| C5 | C19 | sing | 1.53Å | 1.51Å | |
| C5 | C23 | sing | 1.53Å | 1.51Å | |
| P11 | O11 | doub | 1.48Å | 1.48Å | |
| P11 | O12 | sing | 1.61Å | 1.48Å | |
| P11 | O13 | sing | 1.61Å | 1.48Å | |
| C19 | C20 | sing | 1.53Å | 1.51Å | |
| C20 | C21 | sing | 1.53Å | 1.51Å | |
| C21 | C22 | sing | 1.53Å | 1.51Å | |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| C1 | H02 | sing | 1.09Å | 1.10Å | |
| C1 | H03 | sing | 1.09Å | 1.10Å | |
| N2 | H04 | sing | 1.01Å | 1.00Å | |
| C3 | H01 | sing | 1.09Å | 1.10Å | |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| N10 | H05 | sing | 1.01Å | 1.00Å | |
| N10 | H12 | sing | 1.01Å | 1.00Å | |
| O12 | H16 | sing | 0.97Å | 0.95Å | |
| O13 | H17 | sing | 0.97Å | 0.95Å | |
| C19 | H2 | sing | 1.09Å | 1.10Å | |
| C19 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C23 | H10 | sing | 1.09Å | 1.10Å | |
| C23 | H11 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C1 | C3 | 109.4° | 109.5° |
| C1 | N2 | C5 | 109.5° | 111.0° |
| N2 | C1 | H02 | 109.5° | 109.5° |
| N2 | C1 | H03 | 109.5° | 109.4° |
| C1 | N2 | H04 | 109.5° | 110.9° |
| C1 | C3 | N10 | 109.1° | 109.5° |
| C1 | C3 | P11 | 110.2° | 109.5° |
| C3 | C1 | H02 | 109.5° | 109.5° |
| C3 | C1 | H03 | 109.5° | 109.5° |
| C1 | C3 | H01 | 109.7° | 109.4° |
| N2 | C5 | C19 | 109.4° | 109.5° |
| N2 | C5 | C23 | 108.4° | 109.5° |
| C5 | N2 | H04 | 109.4° | 111.1° |
| N2 | C5 | H1 | 109.4° | 109.5° |
| N10 | C3 | P11 | 110.2° | 109.5° |
| N10 | C3 | H01 | 111.2° | 109.4° |
| C3 | N10 | H05 | 109.5° | 110.9° |
| C3 | N10 | H12 | 109.4° | 111.0° |
| C3 | P11 | O11 | 113.9° | 109.5° |
| C3 | P11 | O12 | 114.7° | 109.5° |
| C3 | P11 | O13 | 114.5° | 109.5° |
| P11 | C3 | H01 | 106.5° | 109.5° |
| C19 | C5 | C23 | 112.9° | 109.5° |
| C5 | C19 | C20 | 119.2° | 109.5° |
| C19 | C5 | H1 | 108.3° | 109.5° |
| C5 | C19 | H2 | 107.0° | 109.5° |
| C5 | C19 | H3 | 107.0° | 109.5° |
| C5 | C23 | C22 | 113.5° | 109.5° |
| C23 | C5 | H1 | 108.3° | 109.5° |
| C5 | C23 | H10 | 108.4° | 109.5° |
| C5 | C23 | H11 | 108.4° | 109.5° |
| O11 | P11 | O12 | 104.0° | 109.5° |
| O11 | P11 | O13 | 104.3° | 109.5° |
| O12 | P11 | O13 | 104.2° | 109.5° |
| P11 | O12 | H16 | 109.5° | 114.0° |
| P11 | O13 | H17 | 109.5° | 114.0° |
| C19 | C20 | C21 | 115.4° | 109.4° |
| C20 | C19 | H2 | 107.0° | 109.5° |
| C20 | C19 | H3 | 107.0° | 109.5° |
| C19 | C20 | H4 | 108.0° | 109.5° |
| C19 | C20 | H5 | 108.0° | 109.4° |
| C20 | C21 | C22 | 116.9° | 109.5° |
| C21 | C20 | H4 | 108.0° | 109.5° |
| C21 | C20 | H5 | 108.0° | 109.5° |
| C20 | C21 | H6 | 107.6° | 109.4° |
| C20 | C21 | H7 | 107.6° | 109.5° |
| C21 | C22 | C23 | 110.7° | 109.5° |
| C22 | C21 | H6 | 107.6° | 109.5° |
| C22 | C21 | H7 | 107.6° | 109.5° |
| C21 | C22 | H8 | 109.2° | 109.5° |
| C21 | C22 | H9 | 109.2° | 109.5° |
| C23 | C22 | H8 | 109.2° | 109.5° |
| C23 | C22 | H9 | 109.2° | 109.5° |
| C22 | C23 | H10 | 108.4° | 109.5° |
| C22 | C23 | H11 | 108.5° | 109.4° |
| H02 | C1 | H03 | 109.5° | 109.5° |
| H05 | N10 | H12 | 109.5° | 111.0° |
| H2 | C19 | H3 | 109.5° | 109.5° |
| H4 | C20 | H5 | 109.4° | 109.5° |
| H6 | C21 | H7 | 109.5° | 109.5° |
| H8 | C22 | H9 | 109.5° | 109.5° |
| H10 | C23 | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C1 | C3 | H02 | 120.0° | 120.0° |
| N2 | C1 | C3 | H03 | 120.0° | 119.9° |
| C1 | N2 | C5 | H04 | 120.0° | 123.9° |
| N2 | C1 | C3 | N10 | 59.5° | 60.1° |
| N2 | C1 | C3 | P11 | 179.5° | 60.0° |
| C1 | N2 | C5 | C19 | 101.4° | 155.0° |
| C1 | N2 | C5 | C23 | 135.0° | 85.0° |
| N2 | C1 | H02 | H03 | 120.0° | 119.9° |
| N2 | C1 | C3 | H01 | 62.6° | 180.0° |
| C1 | N2 | C5 | H1 | 17.1° | 35.0° |
| C3 | C1 | N2 | C5 | 177.2° | 180.0° |
| C1 | C3 | N10 | P11 | 121.1° | 120.1° |
| C1 | C3 | N10 | H01 | 121.1° | 120.0° |
| C1 | C3 | P11 | H01 | 118.8° | 120.0° |
| C1 | C3 | P11 | O11 | 167.2° | 55.0° |
| C1 | C3 | P11 | O12 | 73.1° | 175.0° |
| C1 | C3 | P11 | O13 | 47.3° | 65.0° |
| C3 | C1 | H02 | H03 | 120.0° | 120.1° |
| C3 | C1 | N2 | H04 | 57.2° | 56.0° |
| C1 | C3 | N10 | H05 | 180.0° | 60.0° |
| C1 | C3 | N10 | H12 | 60.0° | 63.9° |
| N2 | C5 | C19 | C23 | 120.8° | 120.0° |
| N2 | C5 | C19 | H1 | 119.2° | 120.0° |
| N2 | C5 | C23 | H1 | 118.6° | 120.0° |
| N2 | C5 | C19 | C20 | 156.3° | 180.0° |
| N2 | C5 | C23 | C22 | 171.3° | 180.0° |
| C5 | N2 | C1 | H02 | 57.2° | 60.0° |
| C5 | N2 | C1 | H03 | 62.8° | 60.0° |
| N2 | C5 | C19 | H2 | 82.3° | 60.0° |
| N2 | C5 | C19 | H3 | 35.0° | 60.0° |
| N2 | C5 | C23 | H10 | 50.8° | 60.0° |
| N2 | C5 | C23 | H11 | 68.0° | 60.0° |
| N10 | C3 | P11 | H01 | 120.7° | 119.9° |
| N10 | C3 | P11 | O11 | 72.3° | 65.1° |
| N10 | C3 | P11 | O12 | 47.3° | 54.9° |
| N10 | C3 | P11 | O13 | 167.7° | 175.0° |
| N10 | C3 | C1 | H02 | 179.4° | 60.0° |
| N10 | C3 | C1 | H03 | 60.5° | 180.0° |
| C3 | N10 | H05 | H12 | 120.0° | 123.9° |
| C3 | P11 | O11 | O12 | 125.6° | 120.0° |
| C3 | P11 | O11 | O13 | 125.5° | 120.0° |
| C3 | P11 | O12 | O13 | 126.0° | 120.0° |
| P11 | C3 | C1 | H02 | 59.5° | 180.0° |
| P11 | C3 | C1 | H03 | 60.6° | 59.9° |
| P11 | C3 | N10 | H05 | 58.9° | 60.0° |
| P11 | C3 | N10 | H12 | 61.1° | 176.1° |
| C3 | P11 | O12 | H16 | 125.1° | 180.0° |
| C3 | P11 | O13 | H17 | 125.2° | 60.1° |
| C19 | C5 | C23 | H1 | 120.0° | 120.0° |
| C5 | C19 | C20 | H2 | 121.4° | 120.0° |
| C5 | C19 | C20 | H3 | 121.4° | 120.0° |
| C5 | C19 | C20 | C21 | 27.3° | 60.0° |
| C19 | C5 | C23 | C22 | 50.0° | 60.0° |
| C19 | C5 | N2 | H04 | 18.6° | 31.1° |
| C5 | C19 | H2 | H3 | 115.6° | 120.0° |
| C5 | C19 | C20 | H4 | 93.6° | 60.0° |
| C5 | C19 | C20 | H5 | 148.2° | 180.0° |
| C19 | C5 | C23 | H10 | 70.6° | 60.0° |
| C19 | C5 | C23 | H11 | 170.6° | 179.9° |
| C23 | C5 | C19 | C20 | 35.5° | 60.0° |
| C5 | C23 | C22 | C21 | 56.1° | 60.0° |
| C5 | C23 | C22 | H10 | 120.6° | 120.0° |
| C5 | C23 | C22 | H11 | 120.6° | 120.0° |
| C23 | C5 | N2 | H04 | 105.0° | 151.1° |
| C23 | C5 | C19 | H2 | 156.9° | 180.0° |
| C23 | C5 | C19 | H3 | 85.9° | 60.0° |
| C5 | C23 | C22 | H8 | 64.1° | 60.0° |
| C5 | C23 | C22 | H9 | 176.3° | 180.0° |
| C5 | C23 | H10 | H11 | 118.1° | 120.0° |
| O11 | P11 | O12 | O13 | 109.0° | 120.0° |
| O11 | P11 | C3 | H01 | 48.4° | 175.0° |
| O11 | P11 | O12 | H16 | 0.0° | 60.0° |
| O11 | P11 | O13 | H17 | 0.0° | 180.0° |
| O12 | P11 | C3 | H01 | 168.1° | 65.0° |
| O12 | P11 | O13 | H17 | 108.7° | 60.0° |
| O13 | P11 | C3 | H01 | 71.5° | 55.0° |
| O13 | P11 | O12 | H16 | 109.0° | 60.0° |
| C19 | C20 | C21 | H4 | 120.9° | 120.0° |
| C19 | C20 | C21 | H5 | 120.9° | 119.9° |
| C19 | C20 | C21 | C22 | 33.6° | 60.0° |
| C20 | C19 | C5 | H1 | 84.5° | 60.0° |
| C20 | C19 | H2 | H3 | 115.6° | 120.0° |
| C19 | C20 | H4 | H5 | 117.3° | 120.0° |
| C19 | C20 | C21 | H6 | 154.7° | 180.0° |
| C19 | C20 | C21 | H7 | 87.4° | 60.0° |
| C20 | C21 | C22 | H6 | 121.1° | 119.9° |
| C20 | C21 | C22 | H7 | 121.1° | 120.0° |
| C20 | C21 | C22 | C23 | 47.8° | 60.1° |
| C21 | C20 | C19 | H2 | 148.7° | 180.0° |
| C21 | C20 | C19 | H3 | 94.1° | 60.0° |
| C21 | C20 | H4 | H5 | 117.3° | 120.0° |
| C20 | C21 | H6 | H7 | 116.6° | 120.0° |
| C20 | C21 | C22 | H8 | 72.4° | 60.0° |
| C20 | C21 | C22 | H9 | 167.9° | 180.0° |
| C21 | C22 | C23 | H8 | 120.2° | 120.0° |
| C21 | C22 | C23 | H9 | 120.2° | 120.0° |
| C22 | C21 | C20 | H4 | 87.3° | 60.0° |
| C22 | C21 | C20 | H5 | 154.5° | 180.0° |
| C22 | C21 | H6 | H7 | 116.6° | 120.0° |
| C21 | C22 | H8 | H9 | 119.5° | 120.0° |
| C21 | C22 | C23 | H10 | 64.5° | 60.0° |
| C21 | C22 | C23 | H11 | 176.7° | 180.0° |
| C22 | C23 | C5 | H1 | 70.0° | 60.0° |
| C23 | C22 | C21 | H6 | 168.8° | 180.0° |
| C23 | C22 | C21 | H7 | 73.3° | 60.0° |
| C23 | C22 | H8 | H9 | 119.4° | 120.0° |
| C22 | C23 | H10 | H11 | 118.2° | 120.0° |
| H02 | C1 | N2 | H04 | 62.8° | 64.0° |
| H02 | C1 | C3 | H01 | 57.4° | 60.0° |
| H03 | C1 | N2 | H04 | 177.2° | 176.0° |
| H03 | C1 | C3 | H01 | 177.4° | 60.1° |
| H04 | N2 | C5 | H1 | 137.1° | 88.9° |
| H01 | C3 | N10 | H05 | 58.9° | 180.0° |
| H01 | C3 | N10 | H12 | 178.9° | 56.1° |
| H1 | C5 | C19 | H2 | 36.9° | 60.0° |
| H1 | C5 | C19 | H3 | 154.2° | NaN° |
| H1 | C5 | C23 | H10 | 169.4° | 180.0° |
| H1 | C5 | C23 | H11 | 50.6° | 60.0° |
| H2 | C19 | C20 | H4 | 27.8° | 60.0° |
| H2 | C19 | C20 | H5 | 90.5° | 60.0° |
| H3 | C19 | C20 | H4 | 145.0° | NaN° |
| H3 | C19 | C20 | H5 | 26.8° | 60.0° |
| H4 | C20 | C21 | H6 | 33.8° | 60.0° |
| H4 | C20 | C21 | H7 | 151.7° | 180.0° |
| H5 | C20 | C21 | H6 | 84.4° | 60.1° |
| H5 | C20 | C21 | H7 | 33.4° | 59.9° |
| H6 | C21 | C22 | H8 | 48.6° | 60.0° |
| H6 | C21 | C22 | H9 | 71.0° | 60.0° |
| H7 | C21 | C22 | H8 | 166.5° | NaN° |
| H7 | C21 | C22 | H9 | 46.9° | 60.0° |
| H8 | C22 | C23 | H10 | 175.3° | NaN° |
| H8 | C22 | C23 | H11 | 56.5° | 60.0° |
| H9 | C22 | C23 | H10 | 55.7° | 60.0° |
| H9 | C22 | C23 | H11 | 63.1° | 60.0° |
