EQJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N21 | C20 | doub | 1.30Å | 1.43Å | |
| N19 | C20 | sing | 1.37Å | 1.47Å | |
| N19 | C18 | sing | 1.47Å | 1.47Å | |
| C20 | N22 | sing | 1.37Å | 1.31Å | |
| O24 | C23 | doub | 1.21Å | 1.26Å | |
| O25 | C23 | sing | 1.34Å | 1.25Å | |
| C17 | C18 | sing | 1.53Å | 1.55Å | |
| C17 | C16 | sing | 1.53Å | 1.54Å | |
| C23 | C15 | sing | 1.51Å | 1.53Å | |
| C16 | C15 | sing | 1.53Å | 1.57Å | |
| O27 | C26 | sing | 1.36Å | 1.37Å | |
| C15 | N14 | sing | 1.47Å | 1.48Å | |
| C13 | N14 | doub | 1.29Å | 1.32Å | |
| C13 | C12 | sing | 1.48Å | 1.53Å | |
| C26 | C12 | doub | 1.40Å | 1.39Å | Aromatic |
| C26 | C02 | sing | 1.39Å | 1.40Å | Aromatic |
| C12 | C05 | sing | 1.40Å | 1.42Å | Aromatic |
| C01 | C02 | sing | 1.51Å | 1.53Å | |
| C02 | N03 | doub | 1.32Å | 1.34Å | Aromatic |
| C05 | C06 | sing | 1.51Å | 1.56Å | |
| C05 | C04 | doub | 1.38Å | 1.38Å | Aromatic |
| N03 | C04 | sing | 1.32Å | 1.33Å | Aromatic |
| C06 | O07 | sing | 1.43Å | 1.41Å | |
| O10 | P08 | doub | 1.48Å | 1.50Å | |
| O07 | P08 | sing | 1.61Å | 1.64Å | |
| O11 | P08 | sing | 1.61Å | 1.52Å | |
| P08 | O09 | sing | 1.61Å | 1.52Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| N19 | H191 | sing | 0.97Å | 1.00Å | |
| N21 | H211 | sing | 0.97Å | 1.00Å | |
| N22 | H221 | sing | 0.97Å | 1.00Å | |
| N22 | H1 | sing | 0.97Å | 1.00Å | |
| O09 | H2 | sing | 0.97Å | 0.95Å | |
| O11 | H3 | sing | 0.97Å | 0.95Å | |
| O25 | H4 | sing | 0.97Å | 0.95Å | |
| O27 | H271 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N21 | C20 | N19 | 118.8° | 120.1° |
| N21 | C20 | N22 | 122.3° | 119.9° |
| C20 | N21 | H211 | 112.0° | 120.1° |
| C20 | N19 | C18 | 119.2° | 120.0° |
| N19 | C20 | N22 | 118.9° | 120.0° |
| C20 | N19 | H191 | 120.4° | 120.0° |
| N19 | C18 | C17 | 110.5° | 109.5° |
| N19 | C18 | H181 | 109.2° | 109.4° |
| N19 | C18 | H182 | 109.2° | 109.5° |
| C18 | N19 | H191 | 120.4° | 120.0° |
| C20 | N22 | H221 | 120.0° | 119.9° |
| C20 | N22 | H1 | 120.0° | 120.1° |
| O24 | C23 | O25 | 118.9° | 120.0° |
| O24 | C23 | C15 | 120.2° | 120.1° |
| O25 | C23 | C15 | 120.8° | 120.0° |
| C23 | O25 | H4 | 109.5° | 117.0° |
| C18 | C17 | C16 | 107.0° | 109.5° |
| C18 | C17 | H172 | 110.1° | 109.5° |
| C18 | C17 | H171 | 110.1° | 109.5° |
| C17 | C18 | H181 | 109.2° | 109.5° |
| C17 | C18 | H182 | 109.2° | 109.5° |
| C17 | C16 | C15 | 118.9° | 109.5° |
| C17 | C16 | H161 | 107.1° | 109.5° |
| C17 | C16 | H162 | 107.1° | 109.5° |
| C16 | C17 | H172 | 110.1° | 109.4° |
| C16 | C17 | H171 | 110.1° | 109.5° |
| C23 | C15 | C16 | 112.8° | 109.5° |
| C23 | C15 | N14 | 111.4° | 109.4° |
| C23 | C15 | H151 | 105.7° | 109.5° |
| C16 | C15 | N14 | 114.6° | 109.5° |
| C16 | C15 | H151 | 105.3° | 109.5° |
| C15 | C16 | H161 | 107.1° | 109.5° |
| C15 | C16 | H162 | 107.1° | 109.4° |
| O27 | C26 | C12 | 120.3° | 120.6° |
| O27 | C26 | C02 | 120.5° | 120.6° |
| C26 | O27 | H271 | 109.5° | 114.0° |
| C15 | N14 | C13 | 127.4° | 120.0° |
| N14 | C15 | H151 | 106.2° | 109.5° |
| N14 | C13 | C12 | 120.0° | 120.0° |
| N14 | C13 | H131 | 120.0° | 120.0° |
| C13 | C12 | C26 | 122.2° | 120.9° |
| C13 | C12 | C05 | 120.3° | 121.0° |
| C12 | C13 | H131 | 120.0° | 120.0° |
| C12 | C26 | C02 | 119.2° | 118.8° |
| C26 | C12 | C05 | 117.4° | 118.1° |
| C26 | C02 | C01 | 119.7° | 119.6° |
| C26 | C02 | N03 | 120.9° | 120.8° |
| C12 | C05 | C06 | 120.9° | 120.5° |
| C12 | C05 | C04 | 120.6° | 119.0° |
| C01 | C02 | N03 | 119.4° | 119.6° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C02 | N03 | C04 | 122.0° | 122.1° |
| C06 | C05 | C04 | 118.4° | 120.5° |
| C05 | C06 | O07 | 108.5° | 109.5° |
| C05 | C06 | H062 | 109.7° | 109.5° |
| C05 | C06 | H061 | 109.7° | 109.5° |
| C05 | C04 | N03 | 119.8° | 121.1° |
| C05 | C04 | H041 | 120.1° | 119.4° |
| N03 | C04 | H041 | 120.1° | 119.5° |
| C06 | O07 | P08 | 118.6° | 123.0° |
| O07 | C06 | H062 | 109.7° | 109.5° |
| O07 | C06 | H061 | 109.7° | 109.5° |
| O10 | P08 | O07 | 114.6° | 109.5° |
| O10 | P08 | O11 | 107.3° | 109.5° |
| O10 | P08 | O09 | 108.5° | 109.5° |
| O07 | P08 | O11 | 109.1° | 109.5° |
| O07 | P08 | O09 | 105.6° | 109.4° |
| O11 | P08 | O09 | 111.7° | 109.5° |
| P08 | O11 | H3 | 109.5° | 114.1° |
| P08 | O09 | H2 | 109.5° | 114.0° |
| H011 | C01 | H012 | 109.5° | 109.5° |
| H011 | C01 | H013 | 109.5° | 109.4° |
| H012 | C01 | H013 | 109.5° | 109.5° |
| H062 | C06 | H061 | 109.5° | 109.4° |
| H161 | C16 | H162 | 109.5° | 109.5° |
| H172 | C17 | H171 | 109.5° | 109.4° |
| H181 | C18 | H182 | 109.5° | 109.5° |
| H221 | N22 | H1 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N21 | C20 | N19 | N22 | 178.4° | 179.9° |
| N21 | C20 | N19 | C18 | 178.8° | 0.0° |
| N21 | C20 | N19 | H191 | 1.2° | 180.0° |
| N21 | C20 | N22 | H221 | 178.4° | 180.0° |
| N21 | C20 | N22 | H1 | 1.6° | 0.1° |
| C20 | N19 | C18 | H191 | 180.0° | 180.0° |
| C20 | N19 | C18 | C17 | 97.7° | 180.0° |
| C20 | N19 | C18 | H181 | 22.5° | 60.0° |
| C20 | N19 | C18 | H182 | 142.2° | 60.0° |
| N19 | C20 | N21 | H211 | 178.3° | 180.0° |
| N19 | C20 | N22 | H221 | 0.0° | 0.0° |
| N19 | C20 | N22 | H1 | 180.0° | 180.0° |
| C18 | N19 | C20 | N22 | 0.4° | 180.0° |
| N19 | C18 | C17 | H181 | 120.1° | 120.0° |
| N19 | C18 | C17 | H182 | 120.1° | 120.0° |
| N19 | C18 | C17 | C16 | 168.7° | 180.0° |
| N19 | C18 | C17 | H172 | 71.7° | 60.0° |
| N19 | C18 | C17 | H171 | 49.1° | 59.9° |
| N19 | C18 | H181 | H182 | 119.6° | 120.0° |
| N22 | C20 | N19 | H191 | 179.7° | 0.0° |
| N22 | C20 | N21 | H211 | 0.0° | 0.1° |
| C20 | N22 | H221 | H1 | 180.0° | 180.0° |
| O24 | C23 | O25 | C15 | 176.8° | 180.0° |
| O24 | C23 | C15 | C16 | 36.2° | 120.0° |
| O24 | C23 | C15 | N14 | 166.7° | 0.0° |
| O24 | C23 | C15 | H151 | 78.3° | 120.0° |
| O24 | C23 | O25 | H4 | 0.0° | 0.0° |
| O25 | C23 | C15 | C16 | 147.0° | 60.1° |
| O25 | C23 | C15 | N14 | 16.5° | 180.0° |
| O25 | C23 | C15 | H151 | 98.5° | 60.0° |
| C18 | C17 | C16 | H172 | 119.6° | 120.0° |
| C18 | C17 | C16 | H171 | 119.6° | 120.1° |
| C18 | C17 | C16 | C15 | 171.9° | 180.0° |
| C18 | C17 | C16 | H161 | 50.6° | 60.0° |
| C18 | C17 | C16 | H162 | 66.8° | 60.0° |
| C18 | C17 | H172 | H171 | 121.1° | 120.0° |
| C17 | C18 | H181 | H182 | 119.5° | 120.0° |
| C17 | C18 | N19 | H191 | 82.3° | 0.0° |
| C17 | C16 | C15 | C23 | 61.7° | 175.0° |
| C17 | C16 | C15 | H161 | 121.4° | 120.0° |
| C17 | C16 | C15 | H162 | 121.3° | 119.9° |
| C17 | C16 | C15 | N14 | 67.2° | 65.0° |
| C17 | C16 | C15 | H151 | 176.5° | 55.0° |
| C17 | C16 | H161 | H162 | 115.8° | 120.0° |
| C16 | C17 | H172 | H171 | 121.1° | 120.0° |
| C16 | C17 | C18 | H181 | 48.6° | 60.0° |
| C16 | C17 | C18 | H182 | 71.2° | 60.0° |
| C23 | C15 | C16 | N14 | 128.9° | 119.9° |
| C23 | C15 | C16 | H151 | 114.7° | 120.0° |
| C23 | C15 | N14 | H151 | 114.6° | 120.0° |
| C23 | C15 | N14 | C13 | 126.1° | 120.1° |
| C23 | C15 | C16 | H161 | 176.9° | 65.0° |
| C23 | C15 | C16 | H162 | 59.6° | 55.1° |
| C15 | C23 | O25 | H4 | 176.8° | 180.0° |
| C16 | C15 | N14 | H151 | 115.8° | 120.1° |
| C16 | C15 | N14 | C13 | 3.5° | 120.0° |
| C15 | C16 | H161 | H162 | 115.7° | 120.0° |
| C15 | C16 | C17 | H172 | 68.4° | 60.0° |
| C15 | C16 | C17 | H171 | 52.3° | 60.0° |
| O27 | C26 | C12 | C13 | 1.9° | 0.1° |
| O27 | C26 | C12 | C02 | 179.5° | 179.9° |
| O27 | C26 | C12 | C05 | 178.3° | 179.9° |
| O27 | C26 | C02 | C01 | 0.8° | 0.0° |
| O27 | C26 | C02 | N03 | 179.4° | 179.8° |
| C15 | N14 | C13 | C12 | 176.5° | 180.0° |
| C15 | N14 | C13 | H131 | 3.5° | 0.1° |
| N14 | C15 | C16 | H161 | 54.2° | 55.0° |
| N14 | C15 | C16 | H162 | 171.5° | 175.0° |
| N14 | C13 | C12 | H131 | 180.0° | 180.0° |
| N14 | C13 | C12 | C26 | 23.8° | 0.0° |
| N14 | C13 | C12 | C05 | 152.5° | 180.0° |
| C13 | N14 | C15 | H151 | 119.4° | 0.1° |
| C13 | C12 | C26 | C05 | 176.4° | 180.0° |
| C13 | C12 | C26 | C02 | 178.6° | 180.0° |
| C13 | C12 | C05 | C06 | 3.2° | 0.0° |
| C13 | C12 | C05 | C04 | 178.9° | 179.7° |
| C12 | C26 | C02 | C01 | 178.8° | 179.9° |
| C12 | C26 | C02 | N03 | 1.1° | 0.3° |
| C26 | C12 | C05 | C06 | 179.7° | 180.0° |
| C26 | C12 | C05 | C04 | 2.4° | 0.3° |
| C26 | C12 | C13 | H131 | 156.1° | 180.0° |
| C12 | C26 | O27 | H271 | 180.0° | 90.0° |
| C02 | C26 | C12 | C05 | 2.2° | 0.0° |
| C26 | C02 | C01 | N03 | 179.8° | 179.8° |
| C26 | C02 | N03 | C04 | 0.0° | 0.3° |
| C26 | C02 | C01 | H011 | 179.8° | 89.7° |
| C26 | C02 | C01 | H012 | 60.2° | 30.2° |
| C26 | C02 | C01 | H013 | 59.8° | 150.3° |
| C02 | C26 | O27 | H271 | 0.5° | 89.9° |
| C12 | C05 | C06 | C04 | 177.9° | 179.7° |
| C12 | C05 | C04 | N03 | 1.4° | 0.3° |
| C12 | C05 | C06 | O07 | 68.8° | 179.7° |
| C12 | C05 | C04 | H041 | 178.6° | 179.7° |
| C12 | C05 | C06 | H062 | 171.4° | 60.3° |
| C12 | C05 | C06 | H061 | 51.1° | 59.7° |
| C05 | C12 | C13 | H131 | 27.5° | 0.0° |
| C01 | C02 | N03 | C04 | 179.8° | 180.0° |
| C02 | C01 | H011 | H012 | 120.0° | 120.0° |
| C02 | C01 | H011 | H013 | 120.0° | 120.0° |
| C02 | C01 | H012 | H013 | 120.0° | 120.1° |
| C02 | N03 | C04 | C05 | 0.2° | 0.1° |
| N03 | C02 | C01 | H011 | 0.0° | 90.0° |
| N03 | C02 | C01 | H012 | 120.0° | 150.0° |
| N03 | C02 | C01 | H013 | 120.0° | 29.9° |
| C02 | N03 | C04 | H041 | 179.8° | 179.9° |
| C06 | C05 | C04 | N03 | 179.3° | 180.0° |
| C05 | C06 | O07 | H062 | 119.9° | 120.0° |
| C05 | C06 | O07 | H061 | 119.8° | 120.0° |
| C05 | C06 | O07 | P08 | 170.9° | 180.0° |
| C06 | C05 | C04 | H041 | 0.7° | 0.0° |
| C05 | C06 | H062 | H061 | 120.4° | 120.0° |
| C05 | C04 | N03 | H041 | 180.0° | 180.0° |
| C04 | C05 | C06 | O07 | 113.3° | 0.0° |
| C04 | C05 | C06 | H062 | 6.5° | 120.0° |
| C04 | C05 | C06 | H061 | 126.9° | 120.0° |
| C06 | O07 | P08 | O10 | 80.7° | 55.0° |
| C06 | O07 | P08 | O11 | 39.6° | 175.0° |
| C06 | O07 | P08 | O09 | 159.9° | 65.0° |
| O07 | C06 | H062 | H061 | 120.5° | 120.0° |
| O10 | P08 | O07 | O11 | 120.4° | 120.0° |
| O10 | P08 | O07 | O09 | 119.4° | 120.0° |
| O10 | P08 | O11 | O09 | 118.9° | 120.0° |
| O10 | P08 | O09 | H2 | 0.0° | 180.0° |
| O10 | P08 | O11 | H3 | 0.0° | 60.0° |
| O07 | P08 | O11 | O09 | 116.4° | 120.0° |
| P08 | O07 | C06 | H062 | 69.3° | 60.0° |
| P08 | O07 | C06 | H061 | 51.1° | 60.0° |
| O07 | P08 | O09 | H2 | 123.4° | 60.0° |
| O07 | P08 | O11 | H3 | 124.8° | 180.0° |
| O11 | P08 | O09 | H2 | 118.1° | 60.0° |
| O09 | P08 | O11 | H3 | 118.9° | 60.0° |
| H011 | C01 | H012 | H013 | 120.0° | 119.9° |
| H151 | C15 | C16 | H161 | 62.2° | 175.0° |
| H151 | C15 | C16 | H162 | 55.1° | 64.9° |
| H161 | C16 | C17 | H172 | 170.2° | 180.0° |
| H161 | C16 | C17 | H171 | 69.0° | 60.0° |
| H162 | C16 | C17 | H172 | 52.9° | 60.0° |
| H162 | C16 | C17 | H171 | 173.6° | 179.9° |
| H172 | C17 | C18 | H181 | 168.2° | 180.0° |
| H172 | C17 | C18 | H182 | 48.5° | 60.0° |
| H171 | C17 | C18 | H181 | 71.0° | 60.0° |
| H171 | C17 | C18 | H182 | 169.2° | 180.0° |
| H181 | C18 | N19 | H191 | 157.6° | 120.0° |
| H182 | C18 | N19 | H191 | 37.8° | 120.0° |
