RV5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | C22 | doub | 1.36Å | 1.38Å | Aromatic |
| C20 | C17 | sing | 1.40Å | 1.41Å | Aromatic |
| C22 | C21 | sing | 1.41Å | 1.38Å | Aromatic |
| O02 | C14 | doub | 1.21Å | 1.23Å | |
| N06 | C17 | sing | 1.40Å | 1.43Å | |
| N06 | C16 | sing | 1.35Å | 1.43Å | |
| C17 | C18 | doub | 1.39Å | 1.41Å | Aromatic |
| C21 | N07 | sing | 1.34Å | 1.44Å | Aromatic |
| C21 | C19 | doub | 1.41Å | 1.42Å | Aromatic |
| N07 | N08 | doub | 1.27Å | 1.24Å | Aromatic |
| N05 | C16 | sing | 1.35Å | 1.42Å | |
| N05 | C15 | sing | 1.46Å | 1.49Å | |
| C18 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | S01 | sing | 1.76Å | 1.74Å | Aromatic |
| N08 | S01 | sing | 1.57Å | 1.75Å | Aromatic |
| C16 | O03 | doub | 1.22Å | 1.23Å | |
| C14 | C15 | sing | 1.51Å | 1.61Å | |
| C14 | N04 | sing | 1.35Å | 1.44Å | |
| C12 | C11 | sing | 1.53Å | 1.54Å | |
| C12 | N04 | sing | 1.47Å | 1.50Å | |
| C11 | C09 | sing | 1.53Å | 1.52Å | |
| N04 | C13 | sing | 1.47Å | 1.49Å | |
| C13 | C10 | sing | 1.53Å | 1.54Å | |
| C09 | C10 | sing | 1.53Å | 1.51Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| N05 | H051 | sing | 0.97Å | 1.00Å | |
| N06 | H061 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | C20 | C17 | 122.9° | 121.2° |
| C20 | C22 | C21 | 118.8° | 120.3° |
| C22 | C20 | H201 | 118.5° | 119.4° |
| C20 | C22 | H221 | 120.6° | 119.9° |
| C20 | C17 | N06 | 120.3° | 120.1° |
| C20 | C17 | C18 | 117.6° | 119.9° |
| C17 | C20 | H201 | 118.5° | 119.4° |
| C22 | C21 | N07 | 126.9° | 131.9° |
| C22 | C21 | C19 | 120.2° | 118.1° |
| C21 | C22 | H221 | 120.6° | 119.8° |
| O02 | C14 | C15 | 117.4° | 120.0° |
| O02 | C14 | N04 | 116.5° | 120.0° |
| C17 | N06 | C16 | 129.6° | 120.0° |
| N06 | C17 | C18 | 122.0° | 120.0° |
| C17 | N06 | H061 | 115.2° | 120.0° |
| N06 | C16 | N05 | 119.3° | 120.0° |
| N06 | C16 | O03 | 120.0° | 120.0° |
| C16 | N06 | H061 | 115.2° | 120.0° |
| C17 | C18 | C19 | 119.9° | 119.4° |
| C17 | C18 | H181 | 120.1° | 120.3° |
| N07 | C21 | C19 | 113.0° | 110.1° |
| C21 | N07 | N08 | 113.5° | 120.0° |
| C21 | C19 | C18 | 120.6° | 121.2° |
| C21 | C19 | S01 | 107.7° | 103.9° |
| N07 | N08 | S01 | 114.7° | 110.6° |
| C16 | N05 | C15 | 122.2° | 120.0° |
| N05 | C16 | O03 | 120.7° | 120.0° |
| C16 | N05 | H051 | 118.9° | 120.0° |
| N05 | C15 | C14 | 114.0° | 109.5° |
| N05 | C15 | H151 | 108.3° | 109.5° |
| N05 | C15 | H152 | 108.3° | 109.5° |
| C15 | N05 | H051 | 118.9° | 120.0° |
| C18 | C19 | S01 | 131.7° | 134.8° |
| C19 | C18 | H181 | 120.1° | 120.3° |
| C19 | S01 | N08 | 91.1° | 95.4° |
| C15 | C14 | N04 | 126.1° | 120.0° |
| C14 | C15 | H151 | 108.3° | 109.4° |
| C14 | C15 | H152 | 108.3° | 109.5° |
| C14 | N04 | C12 | 121.2° | 120.6° |
| C14 | N04 | C13 | 129.3° | 120.7° |
| C11 | C12 | N04 | 112.0° | 108.8° |
| C12 | C11 | C09 | 114.8° | 109.3° |
| C12 | C11 | H111 | 108.1° | 109.5° |
| C12 | C11 | H112 | 108.1° | 109.5° |
| C11 | C12 | H122 | 108.8° | 109.6° |
| C11 | C12 | H121 | 108.9° | 109.6° |
| C12 | N04 | C13 | 109.4° | 118.7° |
| N04 | C12 | H122 | 108.8° | 109.6° |
| N04 | C12 | H121 | 108.8° | 109.5° |
| C11 | C09 | C10 | 109.6° | 109.5° |
| C11 | C09 | H092 | 109.4° | 109.4° |
| C11 | C09 | H091 | 109.5° | 109.4° |
| C09 | C11 | H111 | 108.1° | 109.5° |
| C09 | C11 | H112 | 108.1° | 109.5° |
| N04 | C13 | C10 | 110.1° | 108.7° |
| N04 | C13 | H132 | 109.3° | 109.6° |
| N04 | C13 | H131 | 109.3° | 109.7° |
| C13 | C10 | C09 | 111.7° | 109.3° |
| C13 | C10 | H102 | 108.9° | 109.5° |
| C13 | C10 | H101 | 108.9° | 109.5° |
| C10 | C13 | H132 | 109.3° | 109.6° |
| C10 | C13 | H131 | 109.3° | 109.6° |
| C09 | C10 | H102 | 108.9° | 109.6° |
| C09 | C10 | H101 | 108.9° | 109.5° |
| C10 | C09 | H092 | 109.4° | 109.5° |
| C10 | C09 | H091 | 109.4° | 109.5° |
| H102 | C10 | H101 | 109.5° | 109.5° |
| H132 | C13 | H131 | 109.5° | 109.6° |
| H151 | C15 | H152 | 109.4° | 109.4° |
| H092 | C09 | H091 | 109.5° | 109.5° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H122 | C12 | H121 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | C20 | C17 | H201 | 180.0° | 180.0° |
| C20 | C22 | C21 | H221 | 180.0° | 180.0° |
| C22 | C20 | C17 | N06 | 179.2° | 179.8° |
| C22 | C20 | C17 | C18 | 1.4° | 0.0° |
| C20 | C22 | C21 | N07 | 180.0° | 180.0° |
| C20 | C22 | C21 | C19 | 0.1° | 0.0° |
| C17 | C20 | C22 | C21 | 0.6° | 0.0° |
| C20 | C17 | N06 | C18 | 177.7° | 179.7° |
| C20 | C17 | N06 | C16 | 149.4° | 146.5° |
| C20 | C17 | C18 | C19 | 1.4° | 0.0° |
| C17 | C20 | C22 | H221 | 179.4° | 180.0° |
| C20 | C17 | C18 | H181 | 178.6° | 180.0° |
| C20 | C17 | N06 | H061 | 30.6° | 33.4° |
| C22 | C21 | N07 | C19 | 179.9° | 180.0° |
| C22 | C21 | N07 | N08 | 180.0° | 180.0° |
| C22 | C21 | C19 | C18 | 0.1° | 0.0° |
| C22 | C21 | C19 | S01 | 179.9° | 180.0° |
| C21 | C22 | C20 | H201 | 179.3° | 180.0° |
| O02 | C14 | C15 | N05 | 7.8° | 0.1° |
| O02 | C14 | C15 | N04 | 178.9° | 179.9° |
| O02 | C14 | N04 | C12 | 2.2° | 0.1° |
| O02 | C14 | N04 | C13 | 178.6° | 179.9° |
| O02 | C14 | C15 | H151 | 128.5° | 120.0° |
| O02 | C14 | C15 | H152 | 112.9° | 120.1° |
| C17 | N06 | C16 | H061 | 180.0° | 179.9° |
| C17 | N06 | C16 | N05 | 178.0° | 174.7° |
| N06 | C17 | C18 | C19 | 179.2° | 179.8° |
| C17 | N06 | C16 | O03 | 1.9° | 5.3° |
| N06 | C17 | C20 | H201 | 0.7° | 0.3° |
| N06 | C17 | C18 | H181 | 0.8° | 0.3° |
| C16 | N06 | C17 | C18 | 28.3° | 33.2° |
| N06 | C16 | N05 | O03 | 179.9° | 180.0° |
| N06 | C16 | N05 | C15 | 178.7° | 180.0° |
| N06 | C16 | N05 | H051 | 1.3° | 0.1° |
| C17 | C18 | C19 | C21 | 0.7° | 0.0° |
| C17 | C18 | C19 | H181 | 180.0° | 180.0° |
| C17 | C18 | C19 | S01 | 179.3° | 180.0° |
| C18 | C17 | C20 | H201 | 178.6° | 180.0° |
| C18 | C17 | N06 | H061 | 151.7° | 146.8° |
| N07 | C21 | C19 | C18 | 180.0° | 180.0° |
| N07 | C21 | C19 | S01 | 0.0° | 0.0° |
| C21 | N07 | N08 | S01 | 0.1° | 0.0° |
| N07 | C21 | C22 | H221 | 0.1° | 0.0° |
| C19 | C21 | N07 | N08 | 0.0° | 0.0° |
| C21 | C19 | C18 | S01 | 180.0° | 180.0° |
| C21 | C19 | S01 | N08 | 0.0° | 0.0° |
| C19 | C21 | C22 | H221 | 179.8° | 180.0° |
| C21 | C19 | C18 | H181 | 179.3° | 180.0° |
| N07 | N08 | S01 | C19 | 0.1° | 0.0° |
| C16 | N05 | C15 | H051 | 180.0° | 179.9° |
| C16 | N05 | C15 | C14 | 122.0° | 180.0° |
| C16 | N05 | C15 | H151 | 1.3° | 60.0° |
| C16 | N05 | C15 | H152 | 117.3° | 60.0° |
| N05 | C16 | N06 | H061 | 2.0° | 5.4° |
| C15 | N05 | C16 | O03 | 1.4° | 0.0° |
| N05 | C15 | C14 | H151 | 120.7° | 120.1° |
| N05 | C15 | C14 | H152 | 120.7° | 120.0° |
| N05 | C15 | C14 | N04 | 173.2° | 180.0° |
| N05 | C15 | H151 | H152 | 117.9° | 120.0° |
| C18 | C19 | S01 | N08 | 180.0° | 180.0° |
| S01 | C19 | C18 | H181 | 0.7° | 0.0° |
| O03 | C16 | N05 | H051 | 178.5° | 180.0° |
| O03 | C16 | N06 | H061 | 178.1° | 174.6° |
| C15 | C14 | N04 | C12 | 178.9° | 180.0° |
| C15 | C14 | N04 | C13 | 2.4° | 0.0° |
| C14 | C15 | H151 | H152 | 117.9° | 119.9° |
| C14 | C15 | N05 | H051 | 58.0° | 0.0° |
| C14 | N04 | C12 | C11 | 121.9° | 126.4° |
| C14 | N04 | C12 | C13 | 177.1° | 180.0° |
| C14 | N04 | C13 | C10 | 115.5° | 126.4° |
| C14 | N04 | C13 | H132 | 4.6° | 113.8° |
| C14 | N04 | C13 | H131 | 124.5° | 6.6° |
| N04 | C14 | C15 | H151 | 52.6° | 59.9° |
| N04 | C14 | C15 | H152 | 66.1° | 60.0° |
| C14 | N04 | C12 | H122 | 1.5° | 6.6° |
| C14 | N04 | C12 | H121 | 117.7° | 113.8° |
| C11 | C12 | N04 | H122 | 120.4° | 119.8° |
| C11 | C12 | N04 | H121 | 120.4° | 119.7° |
| C12 | C11 | C09 | H111 | 120.8° | 119.9° |
| C12 | C11 | C09 | H112 | 120.8° | 120.0° |
| C11 | C12 | N04 | C13 | 55.2° | 53.6° |
| C12 | C11 | C09 | C10 | 47.9° | 61.4° |
| C12 | C11 | C09 | H092 | 72.1° | 178.6° |
| C12 | C11 | C09 | H091 | 167.9° | 58.7° |
| C12 | C11 | H111 | H112 | 117.5° | 120.1° |
| C11 | C12 | H122 | H121 | 118.9° | 120.3° |
| N04 | C12 | C11 | C09 | 49.8° | 54.6° |
| C12 | N04 | C13 | C10 | 61.3° | 53.6° |
| C12 | N04 | C13 | H132 | 178.6° | 66.2° |
| C12 | N04 | C13 | H131 | 58.8° | 173.4° |
| N04 | C12 | C11 | H111 | 170.6° | 65.4° |
| N04 | C12 | C11 | H112 | 71.0° | 174.6° |
| N04 | C12 | H122 | H121 | 118.8° | 120.3° |
| C11 | C09 | C10 | C13 | 53.3° | 61.4° |
| C11 | C09 | C10 | H092 | 120.0° | 120.0° |
| C11 | C09 | C10 | H091 | 120.0° | 120.0° |
| C11 | C09 | C10 | H102 | 67.0° | 58.6° |
| C11 | C09 | C10 | H101 | 173.6° | 178.6° |
| C11 | C09 | H092 | H091 | 120.0° | 119.9° |
| C09 | C11 | H111 | H112 | 117.6° | 120.1° |
| C09 | C11 | C12 | H122 | 170.2° | 174.4° |
| C09 | C11 | C12 | H121 | 70.5° | 65.1° |
| N04 | C13 | C10 | H132 | 120.1° | 119.8° |
| N04 | C13 | C10 | H131 | 120.1° | 119.9° |
| N04 | C13 | C10 | C09 | 61.9° | 54.7° |
| N04 | C13 | C10 | H102 | 58.5° | 65.3° |
| N04 | C13 | C10 | H101 | 177.8° | 174.6° |
| N04 | C13 | H132 | H131 | 119.7° | 120.4° |
| C13 | N04 | C12 | H122 | 175.6° | 173.4° |
| C13 | N04 | C12 | H121 | 65.2° | 66.2° |
| C13 | C10 | C09 | H102 | 120.3° | 120.0° |
| C13 | C10 | C09 | H101 | 120.3° | 119.9° |
| C13 | C10 | H102 | H101 | 119.0° | 120.0° |
| C10 | C13 | H132 | H131 | 119.7° | 120.3° |
| C13 | C10 | C09 | H092 | 66.7° | 178.6° |
| C13 | C10 | C09 | H091 | 173.3° | 58.5° |
| C09 | C10 | H102 | H101 | 119.0° | 120.1° |
| C09 | C10 | C13 | H132 | 178.1° | 65.1° |
| C09 | C10 | C13 | H131 | 58.2° | 174.6° |
| C10 | C09 | H092 | H091 | 119.9° | 120.1° |
| C10 | C09 | C11 | H111 | 168.7° | 58.6° |
| C10 | C09 | C11 | H112 | 72.9° | 178.6° |
| H102 | C10 | C13 | H132 | 61.6° | 174.9° |
| H102 | C10 | C13 | H131 | 178.6° | 54.5° |
| H102 | C10 | C09 | H092 | 173.0° | 61.4° |
| H102 | C10 | C09 | H091 | 53.0° | 178.5° |
| H101 | C10 | C13 | H132 | 57.7° | 54.8° |
| H101 | C10 | C13 | H131 | 62.1° | 65.5° |
| H101 | C10 | C09 | H092 | 53.6° | 58.7° |
| H101 | C10 | C09 | H091 | 66.3° | 61.4° |
| H151 | C15 | N05 | H051 | 178.7° | 120.0° |
| H152 | C15 | N05 | H051 | 62.6° | 120.0° |
| H201 | C20 | C22 | H221 | 0.6° | 0.0° |
| H092 | C09 | C11 | H111 | 48.7° | 61.4° |
| H092 | C09 | C11 | H112 | 167.1° | 58.6° |
| H091 | C09 | C11 | H111 | 71.3° | 178.6° |
| H091 | C09 | C11 | H112 | 47.1° | 61.3° |
| H111 | C11 | C12 | H122 | 69.0° | 54.5° |
| H111 | C11 | C12 | H121 | 50.3° | 174.9° |
| H112 | C11 | C12 | H122 | 49.4° | 65.6° |
| H112 | C11 | C12 | H121 | 168.7° | 54.9° |
