7RM
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C01 | C02 | sing | 1.51Å | 1.51Å | |
O03 | C02 | doub | 1.21Å | 1.25Å | |
O07 | S05 | doub | 1.42Å | 1.44Å | |
C02 | N04 | sing | 1.35Å | 1.34Å | |
N04 | S05 | sing | 1.66Å | 1.60Å | |
N24 | C23 | sing | 1.38Å | 1.36Å | |
S05 | O06 | doub | 1.42Å | 1.44Å | |
S05 | O08 | sing | 1.52Å | 1.53Å | |
N17 | C16 | doub | 1.30Å | 1.35Å | Aromatic |
N17 | C18 | sing | 1.36Å | 1.35Å | Aromatic |
C16 | N15 | sing | 1.36Å | 1.34Å | Aromatic |
C23 | C18 | doub | 1.41Å | 1.39Å | Aromatic |
C23 | N22 | sing | 1.33Å | 1.35Å | Aromatic |
C18 | C19 | sing | 1.40Å | 1.39Å | Aromatic |
O08 | C09 | sing | 1.43Å | 1.41Å | |
N15 | C19 | sing | 1.37Å | 1.33Å | Aromatic |
N15 | C13 | sing | 1.46Å | 1.48Å | |
N22 | C21 | doub | 1.32Å | 1.35Å | Aromatic |
O14 | C13 | sing | 1.44Å | 1.44Å | |
O14 | C10 | sing | 1.44Å | 1.44Å | |
C19 | N20 | doub | 1.33Å | 1.35Å | Aromatic |
C09 | C10 | sing | 1.53Å | 1.52Å | |
C13 | C12 | sing | 1.55Å | 1.51Å | |
C21 | N20 | sing | 1.32Å | 1.34Å | Aromatic |
C10 | C11 | sing | 1.55Å | 1.53Å | |
C12 | C11 | sing | 1.54Å | 1.50Å | |
C12 | O25 | sing | 1.43Å | 1.42Å | |
C11 | O26 | sing | 1.43Å | 1.43Å | |
C01 | H1 | sing | 1.09Å | 1.10Å | |
C01 | H2 | sing | 1.09Å | 1.10Å | |
C01 | H3 | sing | 1.09Å | 1.10Å | |
C09 | H4 | sing | 1.09Å | 1.10Å | |
C09 | H5 | sing | 1.09Å | 1.10Å | |
C10 | H6 | sing | 1.09Å | 1.10Å | |
C11 | H7 | sing | 1.09Å | 1.10Å | |
C12 | H8 | sing | 1.09Å | 1.10Å | |
C13 | H9 | sing | 1.09Å | 1.10Å | |
C16 | H10 | sing | 1.08Å | 1.08Å | |
C21 | H11 | sing | 1.08Å | 1.08Å | |
N04 | H12 | sing | 0.97Å | 1.00Å | |
N24 | H13 | sing | 0.97Å | 1.00Å | |
N24 | H14 | sing | 0.97Å | 1.00Å | |
O25 | H15 | sing | 0.97Å | 0.95Å | |
O26 | H16 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C01 | C02 | O03 | 122.6° | 120.0° |
C01 | C02 | N04 | 114.8° | 120.0° |
C02 | C01 | H1 | 109.5° | 109.5° |
C02 | C01 | H2 | 109.5° | 109.5° |
C02 | C01 | H3 | 109.5° | 109.4° |
O03 | C02 | N04 | 122.7° | 120.0° |
O07 | S05 | N04 | 108.3° | 106.4° |
O07 | S05 | O06 | 113.5° | 123.1° |
O07 | S05 | O08 | 107.4° | 106.4° |
C02 | N04 | S05 | 117.4° | 120.0° |
C02 | N04 | H12 | 121.3° | 120.0° |
N04 | S05 | O06 | 107.8° | 106.4° |
N04 | S05 | O08 | 109.0° | 107.3° |
S05 | N04 | H12 | 121.3° | 120.0° |
N24 | C23 | C18 | 120.7° | 120.8° |
N24 | C23 | N22 | 121.1° | 120.8° |
C23 | N24 | H13 | 109.5° | 120.0° |
C23 | N24 | H14 | 109.5° | 120.0° |
O06 | S05 | O08 | 110.8° | 106.4° |
S05 | O08 | C09 | 118.6° | 114.0° |
C16 | N17 | C18 | 107.3° | 109.4° |
N17 | C16 | N15 | 109.1° | 110.0° |
N17 | C16 | H10 | 125.5° | 125.0° |
N17 | C18 | C23 | 132.8° | 134.7° |
N17 | C18 | C19 | 107.7° | 107.1° |
C16 | N15 | C19 | 108.7° | 107.4° |
C16 | N15 | C13 | 125.1° | 126.2° |
N15 | C16 | H10 | 125.4° | 125.0° |
C18 | C23 | N22 | 118.2° | 118.4° |
C23 | C18 | C19 | 119.6° | 118.2° |
C23 | N22 | C21 | 120.9° | 121.2° |
C18 | C19 | N15 | 107.3° | 106.0° |
C18 | C19 | N20 | 120.0° | 119.1° |
O08 | C09 | C10 | 107.0° | 109.4° |
O08 | C09 | H4 | 110.1° | 109.5° |
O08 | C09 | H5 | 110.1° | 109.4° |
C19 | N15 | C13 | 126.2° | 126.3° |
N15 | C19 | N20 | 132.7° | 134.9° |
N15 | C13 | O14 | 109.2° | 110.5° |
N15 | C13 | C12 | 109.4° | 110.4° |
N15 | C13 | H9 | 110.4° | 110.3° |
N22 | C21 | N20 | 122.0° | 122.4° |
N22 | C21 | H11 | 119.0° | 118.8° |
C13 | O14 | C10 | 109.8° | 105.3° |
O14 | C13 | C12 | 106.8° | 104.8° |
O14 | C13 | H9 | 110.9° | 110.3° |
O14 | C10 | C09 | 109.2° | 110.4° |
O14 | C10 | C11 | 105.5° | 104.8° |
O14 | C10 | H6 | 110.2° | 110.5° |
C19 | N20 | C21 | 119.2° | 120.7° |
C09 | C10 | C11 | 113.7° | 110.4° |
C10 | C09 | H4 | 110.1° | 109.5° |
C10 | C09 | H5 | 110.1° | 109.5° |
C09 | C10 | H6 | 109.1° | 110.3° |
C13 | C12 | C11 | 104.0° | 104.1° |
C13 | C12 | O25 | 106.9° | 110.5° |
C13 | C12 | H8 | 111.9° | 110.6° |
C12 | C13 | H9 | 110.0° | 110.3° |
N20 | C21 | H11 | 119.0° | 118.8° |
C10 | C11 | C12 | 102.6° | 104.1° |
C10 | C11 | O26 | 112.2° | 110.5° |
C11 | C10 | H6 | 109.0° | 110.3° |
C10 | C11 | H7 | 109.7° | 110.5° |
C11 | C12 | O25 | 108.0° | 110.5° |
C12 | C11 | O26 | 110.8° | 110.5° |
C12 | C11 | H7 | 110.1° | 110.6° |
C11 | C12 | H8 | 112.0° | 110.5° |
O25 | C12 | H8 | 113.3° | 110.5° |
C12 | O25 | H15 | 109.5° | 114.0° |
O26 | C11 | H7 | 111.1° | 110.5° |
C11 | O26 | H16 | 109.5° | 114.0° |
H1 | C01 | H2 | 109.5° | 109.4° |
H1 | C01 | H3 | 109.5° | 109.5° |
H2 | C01 | H3 | 109.4° | 109.5° |
H4 | C09 | H5 | 109.5° | 109.5° |
H13 | N24 | H14 | 109.5° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C01 | C02 | O03 | N04 | 179.3° | 180.0° |
C01 | C02 | N04 | S05 | 178.5° | 180.0° |
C02 | C01 | H1 | H2 | 120.0° | 120.0° |
C02 | C01 | H1 | H3 | 120.0° | 120.0° |
C02 | C01 | H2 | H3 | 120.0° | 120.0° |
C01 | C02 | N04 | H12 | 1.5° | 0.0° |
O03 | C02 | N04 | S05 | 0.9° | 0.0° |
O03 | C02 | C01 | H1 | 0.0° | 119.9° |
O03 | C02 | C01 | H2 | 120.0° | 0.0° |
O03 | C02 | C01 | H3 | 120.0° | 120.0° |
O03 | C02 | N04 | H12 | 179.2° | 180.0° |
O07 | S05 | N04 | C02 | 63.1° | 48.6° |
O07 | S05 | N04 | O06 | 123.1° | 132.9° |
O07 | S05 | N04 | O08 | 116.5° | 113.5° |
O07 | S05 | O06 | O08 | 120.9° | 122.9° |
O07 | S05 | O08 | C09 | 169.3° | 171.5° |
O07 | S05 | N04 | H12 | 117.0° | 131.5° |
C02 | N04 | S05 | H12 | 180.0° | 179.9° |
C02 | N04 | S05 | O06 | 173.8° | 178.5° |
C02 | N04 | S05 | O08 | 53.5° | 65.0° |
N04 | C02 | C01 | H1 | 179.4° | 60.0° |
N04 | C02 | C01 | H2 | 60.6° | 180.0° |
N04 | C02 | C01 | H3 | 59.4° | 60.0° |
N04 | S05 | O06 | O08 | 119.2° | 114.2° |
N04 | S05 | O08 | C09 | 52.2° | 75.0° |
N24 | C23 | C18 | N17 | 0.6° | 0.5° |
N24 | C23 | C18 | N22 | 179.9° | 179.9° |
N24 | C23 | C18 | C19 | 179.8° | 179.9° |
N24 | C23 | N22 | C21 | 179.9° | 180.0° |
C23 | N24 | H13 | H14 | 120.0° | 179.9° |
O06 | S05 | O08 | C09 | 66.3° | 38.6° |
O06 | S05 | N04 | H12 | 6.1° | 1.4° |
S05 | O08 | C09 | C10 | 178.2° | 179.9° |
S05 | O08 | C09 | H4 | 58.5° | 60.0° |
S05 | O08 | C09 | H5 | 62.2° | 59.9° |
O08 | S05 | N04 | H12 | 126.5° | 115.0° |
N17 | C16 | N15 | H10 | 180.0° | 179.6° |
C16 | N17 | C18 | C23 | 179.2° | 179.8° |
C16 | N17 | C18 | C19 | 0.2° | 0.2° |
N17 | C16 | N15 | C19 | 0.8° | 0.3° |
N17 | C16 | N15 | C13 | 179.2° | 179.7° |
C18 | N17 | C16 | N15 | 0.6° | 0.1° |
N17 | C18 | C23 | C19 | 179.3° | 179.6° |
N17 | C18 | C23 | N22 | 179.5° | 179.6° |
N17 | C18 | C19 | N15 | 0.3° | 0.3° |
N17 | C18 | C19 | N20 | 179.7° | 179.7° |
C18 | N17 | C16 | H10 | 179.4° | 179.7° |
C16 | N15 | C19 | C18 | 0.7° | 0.4° |
C16 | N15 | C19 | C13 | 180.0° | 179.9° |
C16 | N15 | C13 | O14 | 5.3° | 20.5° |
C16 | N15 | C19 | N20 | 179.9° | 179.7° |
C16 | N15 | C13 | C12 | 111.3° | 95.0° |
C16 | N15 | C13 | H9 | 127.6° | 142.8° |
C23 | C18 | C19 | N15 | 179.8° | 180.0° |
C18 | C23 | N22 | C21 | 0.1° | 0.1° |
C23 | C18 | C19 | N20 | 0.9° | 0.0° |
C18 | C23 | N24 | H13 | 180.0° | 0.1° |
C18 | C23 | N24 | H14 | 59.9° | 179.9° |
N22 | C23 | C18 | C19 | 0.2° | 0.0° |
C23 | N22 | C21 | N20 | 0.7° | 0.1° |
C23 | N22 | C21 | H11 | 179.3° | 179.9° |
N22 | C23 | N24 | H13 | 0.0° | 180.0° |
N22 | C23 | N24 | H14 | 120.0° | 0.2° |
C18 | C19 | N15 | N20 | 179.3° | 179.9° |
C18 | C19 | N15 | C13 | 179.3° | 179.7° |
C18 | C19 | N20 | C21 | 1.4° | 0.0° |
O08 | C09 | C10 | O14 | 56.5° | 69.6° |
O08 | C09 | C10 | H4 | 119.6° | 120.0° |
O08 | C09 | C10 | H5 | 119.6° | 120.0° |
O08 | C09 | C10 | C11 | 174.1° | 175.0° |
O08 | C09 | H4 | H5 | 121.1° | 120.0° |
O08 | C09 | C10 | H6 | 64.1° | 52.8° |
C19 | N15 | C13 | O14 | 174.7° | 159.5° |
C19 | N15 | C13 | C12 | 68.7° | 85.0° |
N15 | C19 | N20 | C21 | 179.4° | 180.0° |
C19 | N15 | C13 | H9 | 52.4° | 37.3° |
C19 | N15 | C16 | H10 | 179.2° | 180.0° |
N15 | C13 | O14 | C12 | 118.3° | 118.9° |
N15 | C13 | O14 | H9 | 121.9° | 122.2° |
N15 | C13 | O14 | C10 | 114.2° | 159.4° |
C13 | N15 | C19 | N20 | 0.0° | 0.3° |
N15 | C13 | C12 | H9 | 121.5° | 122.2° |
N15 | C13 | C12 | C11 | 94.5° | 143.0° |
N15 | C13 | C12 | O25 | 151.3° | 98.4° |
N15 | C13 | C12 | H8 | 26.6° | 24.2° |
C13 | N15 | C16 | H10 | 0.8° | 0.1° |
N22 | C21 | N20 | C19 | 1.3° | 0.0° |
N22 | C21 | N20 | H11 | 180.0° | 180.0° |
C13 | O14 | C10 | C09 | 139.5° | 159.3° |
O14 | C13 | C12 | H9 | 120.4° | 118.8° |
C13 | O14 | C10 | C11 | 16.9° | 40.5° |
O14 | C13 | C12 | C11 | 23.6° | 24.0° |
O14 | C13 | C12 | O25 | 90.5° | 142.6° |
C13 | O14 | C10 | H6 | 100.6° | 78.4° |
O14 | C13 | C12 | H8 | 144.8° | 94.8° |
O14 | C10 | C09 | C11 | 117.6° | 115.4° |
O14 | C10 | C09 | H6 | 120.6° | 122.4° |
C10 | O14 | C13 | C12 | 4.1° | 40.5° |
O14 | C10 | C11 | H6 | 118.4° | 119.0° |
O14 | C10 | C11 | C12 | 30.8° | 24.0° |
O14 | C10 | C11 | O26 | 149.9° | 142.6° |
O14 | C10 | C09 | H4 | 63.1° | 170.4° |
O14 | C10 | C09 | H5 | 176.1° | 50.3° |
O14 | C10 | C11 | H7 | 86.1° | 94.8° |
C10 | O14 | C13 | H9 | 123.8° | 78.3° |
C19 | N20 | C21 | H11 | 178.7° | 179.9° |
C09 | C10 | C11 | H6 | 122.0° | 122.2° |
C09 | C10 | C11 | C12 | 150.5° | 142.8° |
C09 | C10 | C11 | O26 | 90.5° | 98.5° |
C10 | C09 | H4 | H5 | 121.1° | 120.1° |
C09 | C10 | C11 | H7 | 33.5° | 24.0° |
C13 | C12 | C11 | C10 | 32.7° | 0.0° |
C13 | C12 | C11 | O25 | 113.4° | 118.6° |
C13 | C12 | C11 | H8 | 121.1° | 118.8° |
C13 | C12 | O25 | H8 | 123.8° | 122.7° |
C13 | C12 | C11 | O26 | 152.7° | 118.6° |
C13 | C12 | C11 | H7 | 84.0° | 118.7° |
C13 | C12 | O25 | H15 | 180.0° | 176.1° |
C10 | C11 | C12 | O26 | 120.0° | 118.6° |
C10 | C11 | C12 | H7 | 116.7° | 118.7° |
C10 | C11 | C12 | O25 | 80.7° | 118.6° |
C10 | C11 | O26 | H7 | 123.2° | 122.6° |
C11 | C10 | C09 | H4 | 54.4° | 55.0° |
C11 | C10 | C09 | H5 | 66.4° | 65.1° |
C10 | C11 | C12 | H8 | 153.8° | 118.8° |
C10 | C11 | O26 | H16 | 180.0° | 179.9° |
C11 | C12 | O25 | H8 | 124.7° | 122.6° |
C12 | C11 | O26 | H7 | 122.7° | 122.8° |
C12 | C11 | C10 | H6 | 87.5° | 95.0° |
C11 | C12 | C13 | H9 | 144.0° | 94.9° |
C11 | C12 | O25 | H15 | 68.6° | 61.4° |
C12 | C11 | O26 | H16 | 65.9° | 65.4° |
O25 | C12 | C11 | O26 | 39.3° | 0.0° |
O25 | C12 | C11 | H7 | 162.6° | 122.7° |
O25 | C12 | C13 | H9 | 29.9° | 23.8° |
O26 | C11 | C10 | H6 | 31.5° | 23.6° |
O26 | C11 | C12 | H8 | 86.2° | 122.6° |
H1 | C01 | H2 | H3 | 120.0° | 120.1° |
H4 | C09 | C10 | H6 | 176.3° | 67.2° |
H5 | C09 | C10 | H6 | 55.5° | 172.7° |
H6 | C10 | C11 | H7 | 155.5° | 146.2° |
H7 | C11 | C12 | H8 | 37.1° | 0.1° |
H7 | C11 | O26 | H16 | 56.8° | 57.3° |
H8 | C12 | C13 | H9 | 94.8° | 146.4° |
H8 | C12 | O25 | H15 | 56.2° | 61.2° |