RZR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | C16 | sing | 1.51Å | 1.56Å | |
| C18 | C11 | sing | 1.51Å | 1.53Å | |
| C16 | C12 | sing | 1.54Å | 1.51Å | |
| O14 | C13 | doub | 1.21Å | 1.26Å | |
| O23 | C09 | doub | 1.22Å | 1.18Å | |
| C11 | C12 | sing | 1.54Å | 1.49Å | |
| C11 | N10 | sing | 1.47Å | 1.45Å | |
| C12 | C13 | sing | 1.51Å | 1.54Å | |
| C13 | O15 | sing | 1.34Å | 1.26Å | |
| C09 | N10 | sing | 1.35Å | 1.45Å | |
| C09 | C08 | sing | 1.48Å | 1.52Å | |
| C08 | C07 | doub | 1.40Å | 1.39Å | Aromatic |
| C08 | C24 | sing | 1.40Å | 1.38Å | Aromatic |
| C07 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.37Å | Aromatic |
| C06 | C05 | doub | 1.39Å | 1.39Å | Aromatic |
| C25 | C05 | sing | 1.39Å | 1.38Å | Aromatic |
| C05 | N04 | sing | 1.39Å | 1.45Å | |
| O26 | C03 | doub | 1.22Å | 1.18Å | |
| N04 | C03 | sing | 1.35Å | 1.45Å | |
| C03 | N02 | sing | 1.35Å | 1.45Å | |
| N02 | C01 | sing | 1.46Å | 1.45Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| N02 | H021 | sing | 0.97Å | 1.00Å | |
| N04 | H041 | sing | 0.97Å | 1.00Å | |
| N10 | H101 | sing | 0.97Å | 1.00Å | |
| O15 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | C21 | C22 | 120.7° | 120.0° |
| C21 | C20 | C19 | 120.1° | 119.9° |
| C21 | C20 | H201 | 119.9° | 120.0° |
| C20 | C21 | H211 | 119.7° | 120.0° |
| C21 | C22 | C17 | 119.3° | 120.2° |
| C22 | C21 | H211 | 119.7° | 120.0° |
| C21 | C22 | H221 | 120.3° | 119.9° |
| C20 | C19 | C18 | 119.6° | 120.2° |
| C19 | C20 | H201 | 120.0° | 120.1° |
| C20 | C19 | H191 | 120.2° | 119.9° |
| C22 | C17 | C18 | 120.1° | 119.8° |
| C22 | C17 | C16 | 130.9° | 130.4° |
| C17 | C22 | H221 | 120.3° | 119.9° |
| C19 | C18 | C17 | 120.2° | 119.9° |
| C19 | C18 | C11 | 131.5° | 130.4° |
| C18 | C19 | H191 | 120.2° | 119.9° |
| C18 | C17 | C16 | 108.9° | 109.8° |
| C17 | C18 | C11 | 108.2° | 109.7° |
| C17 | C16 | C12 | 102.9° | 105.2° |
| C17 | C16 | H162 | 111.1° | 110.3° |
| C17 | C16 | H161 | 111.1° | 110.4° |
| C18 | C11 | C12 | 104.8° | 105.2° |
| C18 | C11 | N10 | 115.6° | 110.3° |
| C18 | C11 | H111 | 109.0° | 110.4° |
| C16 | C12 | C11 | 105.3° | 102.4° |
| C16 | C12 | C13 | 110.9° | 110.8° |
| C12 | C16 | H162 | 111.1° | 110.3° |
| C12 | C16 | H161 | 111.1° | 110.3° |
| C16 | C12 | H121 | 110.5° | 110.9° |
| O14 | C13 | C12 | 119.8° | 120.0° |
| O14 | C13 | O15 | 119.4° | 120.0° |
| O23 | C09 | N10 | 121.2° | 120.0° |
| O23 | C09 | C08 | 121.2° | 120.0° |
| C12 | C11 | N10 | 107.3° | 110.3° |
| C11 | C12 | C13 | 108.9° | 110.8° |
| C11 | C12 | H121 | 110.9° | 111.0° |
| C12 | C11 | H111 | 109.6° | 110.3° |
| C11 | N10 | C09 | 123.1° | 120.0° |
| N10 | C11 | H111 | 110.2° | 110.4° |
| C11 | N10 | H101 | 118.5° | 120.0° |
| C12 | C13 | O15 | 120.7° | 120.0° |
| C13 | C12 | H121 | 110.2° | 110.7° |
| C13 | O15 | H1 | 109.5° | 116.9° |
| N10 | C09 | C08 | 117.5° | 120.0° |
| C09 | N10 | H101 | 118.4° | 120.0° |
| C09 | C08 | C07 | 122.2° | 120.1° |
| C09 | C08 | C24 | 117.8° | 120.1° |
| C07 | C08 | C24 | 119.8° | 119.9° |
| C08 | C07 | C06 | 120.0° | 119.9° |
| C08 | C07 | H071 | 120.0° | 120.0° |
| C08 | C24 | C25 | 120.1° | 119.9° |
| C08 | C24 | H241 | 119.9° | 120.0° |
| C07 | C06 | C05 | 119.6° | 120.0° |
| C07 | C06 | H061 | 120.2° | 120.0° |
| C06 | C07 | H071 | 120.0° | 120.1° |
| C24 | C25 | C05 | 120.5° | 120.1° |
| C25 | C24 | H241 | 119.9° | 120.1° |
| C24 | C25 | H251 | 119.7° | 119.9° |
| C06 | C05 | C25 | 119.9° | 120.2° |
| C06 | C05 | N04 | 124.0° | 119.9° |
| C05 | C06 | H061 | 120.2° | 120.0° |
| C25 | C05 | N04 | 116.0° | 119.9° |
| C05 | C25 | H251 | 119.8° | 120.0° |
| C05 | N04 | C03 | 124.7° | 120.0° |
| C05 | N04 | H041 | 117.6° | 120.0° |
| O26 | C03 | N04 | 123.0° | 120.0° |
| O26 | C03 | N02 | 120.5° | 120.0° |
| N04 | C03 | N02 | 116.4° | 120.0° |
| C03 | N04 | H041 | 117.6° | 120.0° |
| C03 | N02 | C01 | 120.6° | 120.0° |
| C03 | N02 | H021 | 119.7° | 120.0° |
| N02 | C01 | H013 | 109.5° | 109.4° |
| N02 | C01 | H012 | 109.4° | 109.5° |
| N02 | C01 | H011 | 109.5° | 109.5° |
| C01 | N02 | H021 | 119.7° | 120.0° |
| H162 | C16 | H161 | 109.5° | 110.2° |
| H013 | C01 | H012 | 109.5° | 109.5° |
| H013 | C01 | H011 | 109.4° | 109.5° |
| H012 | C01 | H011 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | C21 | C22 | H211 | 180.0° | 179.9° |
| C21 | C20 | C19 | H201 | 180.0° | 179.9° |
| C20 | C21 | C22 | C17 | 0.0° | 0.1° |
| C21 | C20 | C19 | C18 | 0.5° | 0.1° |
| C21 | C20 | C19 | H191 | 179.5° | 179.9° |
| C20 | C21 | C22 | H221 | 180.0° | 180.0° |
| C22 | C21 | C20 | C19 | 0.0° | 0.1° |
| C21 | C22 | C17 | H221 | 180.0° | 179.9° |
| C21 | C22 | C17 | C18 | 0.4° | 0.0° |
| C21 | C22 | C17 | C16 | 179.8° | 180.0° |
| C22 | C21 | C20 | H201 | 180.0° | 179.8° |
| C20 | C19 | C18 | H191 | 180.0° | 180.0° |
| C20 | C19 | C18 | C17 | 1.0° | 0.3° |
| C20 | C19 | C18 | C11 | 179.4° | 180.0° |
| C19 | C20 | C21 | H211 | 180.0° | 180.0° |
| C22 | C17 | C18 | C19 | 0.9° | 0.2° |
| C22 | C17 | C18 | C16 | 179.5° | 180.0° |
| C22 | C17 | C18 | C11 | 179.7° | 180.0° |
| C22 | C17 | C16 | C12 | 161.5° | 162.8° |
| C22 | C17 | C16 | H162 | 79.6° | 78.2° |
| C22 | C17 | C16 | H161 | 42.6° | 43.9° |
| C17 | C22 | C21 | H211 | 180.0° | 180.0° |
| C19 | C18 | C17 | C11 | 178.8° | 179.8° |
| C19 | C18 | C17 | C16 | 179.6° | 179.8° |
| C19 | C18 | C11 | C12 | 161.8° | 162.5° |
| C19 | C18 | C11 | N10 | 43.9° | 43.7° |
| C19 | C18 | C11 | H111 | 80.9° | 78.5° |
| C18 | C19 | C20 | H201 | 179.5° | 180.0° |
| C18 | C17 | C16 | C12 | 17.9° | 17.2° |
| C17 | C18 | C11 | C12 | 19.7° | 17.2° |
| C17 | C18 | C11 | N10 | 137.5° | 136.1° |
| C18 | C17 | C16 | H162 | 101.0° | 101.8° |
| C18 | C17 | C16 | H161 | 136.9° | 136.2° |
| C17 | C18 | C11 | H111 | 97.7° | 101.7° |
| C17 | C18 | C19 | H191 | 179.1° | 179.7° |
| C18 | C17 | C22 | H221 | 179.6° | 179.9° |
| C16 | C17 | C18 | C11 | 0.8° | 0.0° |
| C17 | C16 | C12 | H162 | 118.9° | 119.0° |
| C17 | C16 | C12 | H161 | 118.9° | 119.0° |
| C17 | C16 | C12 | C11 | 29.7° | 26.4° |
| C17 | C16 | C12 | C13 | 147.4° | 144.6° |
| C17 | C16 | H162 | H161 | 123.1° | 122.2° |
| C17 | C16 | C12 | H121 | 90.1° | 92.1° |
| C16 | C17 | C22 | H221 | 0.2° | 0.1° |
| C18 | C11 | C12 | C16 | 30.7° | 26.4° |
| C18 | C11 | C12 | N10 | 123.3° | 118.9° |
| C18 | C11 | C12 | H111 | 116.9° | 119.0° |
| C18 | C11 | N10 | H111 | 124.2° | 122.2° |
| C18 | C11 | C12 | C13 | 149.8° | 144.6° |
| C18 | C11 | N10 | C09 | 69.3° | 86.5° |
| C18 | C11 | C12 | H121 | 88.8° | 91.9° |
| C11 | C18 | C19 | H191 | 0.6° | 0.0° |
| C18 | C11 | N10 | H101 | 110.8° | 93.6° |
| C16 | C12 | C13 | O14 | 65.5° | 118.6° |
| C16 | C12 | C11 | C13 | 119.0° | 118.2° |
| C16 | C12 | C11 | H121 | 119.6° | 118.4° |
| C16 | C12 | C11 | N10 | 154.1° | 145.3° |
| C16 | C12 | C13 | H121 | 122.7° | 123.4° |
| C16 | C12 | C13 | O15 | 115.1° | 61.5° |
| C12 | C16 | H162 | H161 | 123.1° | 122.1° |
| C16 | C12 | C11 | H111 | 86.2° | 92.6° |
| O14 | C13 | C12 | C11 | 50.0° | 5.6° |
| O14 | C13 | C12 | O15 | 179.4° | 180.0° |
| O14 | C13 | C12 | H121 | 171.8° | 118.0° |
| O14 | C13 | O15 | H1 | 0.0° | 0.1° |
| O23 | C09 | N10 | C11 | 0.1° | 0.0° |
| O23 | C09 | N10 | C08 | 177.1° | 180.0° |
| O23 | C09 | C08 | C07 | 1.5° | 0.0° |
| O23 | C09 | C08 | C24 | 175.3° | 180.0° |
| O23 | C09 | N10 | H101 | 179.9° | 180.0° |
| C12 | C11 | N10 | H111 | 119.4° | 122.1° |
| C11 | C12 | C13 | H121 | 121.8° | 123.6° |
| C11 | C12 | C13 | O15 | 129.4° | 174.4° |
| C12 | C11 | N10 | C09 | 174.3° | 157.8° |
| C11 | C12 | C16 | H162 | 89.2° | 92.6° |
| C11 | C12 | C16 | H161 | 148.7° | 145.4° |
| C12 | C11 | N10 | H101 | 5.7° | 22.1° |
| N10 | C11 | C12 | C13 | 86.9° | 96.5° |
| C11 | N10 | C09 | H101 | 180.0° | 179.9° |
| C11 | N10 | C09 | C08 | 177.2° | 180.0° |
| N10 | C11 | C12 | H121 | 34.5° | 26.9° |
| C13 | C12 | C16 | H162 | 28.4° | 25.6° |
| C13 | C12 | C16 | H161 | 93.7° | 96.4° |
| C13 | C12 | C11 | H111 | 32.9° | 25.6° |
| C12 | C13 | O15 | H1 | 179.4° | 180.0° |
| O15 | C13 | C12 | H121 | 7.6° | 61.9° |
| N10 | C09 | C08 | C07 | 178.5° | 180.0° |
| N10 | C09 | C08 | C24 | 1.8° | 0.0° |
| C09 | N10 | C11 | H111 | 54.9° | 35.7° |
| C09 | C08 | C07 | C24 | 176.6° | 180.0° |
| C09 | C08 | C07 | C06 | 178.2° | 180.0° |
| C09 | C08 | C24 | C25 | 178.5° | 179.7° |
| C09 | C08 | C07 | H071 | 1.8° | 0.1° |
| C09 | C08 | C24 | H241 | 1.5° | 0.0° |
| C08 | C09 | N10 | H101 | 2.8° | 0.1° |
| C08 | C07 | C06 | H071 | 180.0° | 179.9° |
| C07 | C08 | C24 | C25 | 1.7° | 0.3° |
| C08 | C07 | C06 | C05 | 0.4° | 0.0° |
| C08 | C07 | C06 | H061 | 179.6° | 180.0° |
| C07 | C08 | C24 | H241 | 178.3° | 180.0° |
| C24 | C08 | C07 | C06 | 1.5° | 0.0° |
| C08 | C24 | C25 | H241 | 180.0° | 179.7° |
| C08 | C24 | C25 | C05 | 0.0° | 0.6° |
| C24 | C08 | C07 | H071 | 178.5° | 179.9° |
| C08 | C24 | C25 | H251 | 179.9° | 180.0° |
| C07 | C06 | C05 | H061 | 180.0° | 180.0° |
| C07 | C06 | C05 | C25 | 2.1° | 0.3° |
| C07 | C06 | C05 | N04 | 177.6° | 180.0° |
| C24 | C25 | C05 | C06 | 2.0° | 0.6° |
| C24 | C25 | C05 | H251 | 180.0° | 179.4° |
| C24 | C25 | C05 | N04 | 177.8° | 179.7° |
| C06 | C05 | C25 | N04 | 175.9° | 179.7° |
| C06 | C05 | N04 | C03 | 0.7° | 146.6° |
| C05 | C06 | C07 | H071 | 179.6° | 179.9° |
| C06 | C05 | C25 | H251 | 178.0° | 180.0° |
| C06 | C05 | N04 | H041 | 179.3° | 33.5° |
| C25 | C05 | N04 | C03 | 174.9° | 33.7° |
| C25 | C05 | C06 | H061 | 177.8° | 179.7° |
| C05 | C25 | C24 | H241 | 180.0° | 179.7° |
| C25 | C05 | N04 | H041 | 5.1° | 146.2° |
| C05 | N04 | C03 | O26 | 3.9° | 5.3° |
| C05 | N04 | C03 | H041 | 180.0° | 179.9° |
| C05 | N04 | C03 | N02 | 177.5° | 174.7° |
| N04 | C05 | C06 | H061 | 2.3° | 0.0° |
| N04 | C05 | C25 | H251 | 2.2° | 0.3° |
| O26 | C03 | N04 | N02 | 178.6° | 180.0° |
| O26 | C03 | N02 | C01 | 0.3° | 0.0° |
| O26 | C03 | N02 | H021 | 179.7° | 180.0° |
| O26 | C03 | N04 | H041 | 176.1° | 174.8° |
| N04 | C03 | N02 | C01 | 179.0° | 180.0° |
| N04 | C03 | N02 | H021 | 1.0° | 0.0° |
| C03 | N02 | C01 | H021 | 180.0° | 180.0° |
| C03 | N02 | C01 | H013 | 180.0° | 180.0° |
| C03 | N02 | C01 | H012 | 60.0° | 60.0° |
| C03 | N02 | C01 | H011 | 60.0° | 60.0° |
| N02 | C03 | N04 | H041 | 2.5° | 5.3° |
| N02 | C01 | H013 | H012 | 120.0° | 120.0° |
| N02 | C01 | H013 | H011 | 120.0° | 120.0° |
| N02 | C01 | H012 | H011 | 120.0° | 120.0° |
| H162 | C16 | C12 | H121 | 151.0° | 149.0° |
| H161 | C16 | C12 | H121 | 28.8° | 26.9° |
| H121 | C12 | C11 | H111 | 154.3° | 149.1° |
| H111 | C11 | N10 | H101 | 125.1° | 144.3° |
| H201 | C20 | C19 | H191 | 0.5° | 0.0° |
| H201 | C20 | C21 | H211 | 0.0° | 0.1° |
| H013 | C01 | H012 | H011 | 120.0° | 120.0° |
| H013 | C01 | N02 | H021 | 0.0° | 0.0° |
| H012 | C01 | N02 | H021 | 120.0° | 120.0° |
| H011 | C01 | N02 | H021 | 120.0° | 120.0° |
| H061 | C06 | C07 | H071 | 0.4° | 0.1° |
| H211 | C21 | C22 | H221 | 0.0° | 0.1° |
| H241 | C24 | C25 | H251 | 0.0° | 0.3° |
