B7P
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O29 | C28 | doub | 1.22Å | 1.23Å | |
C28 | N27 | sing | 1.35Å | 1.38Å | |
C28 | N21 | sing | 1.35Å | 1.39Å | |
N27 | C25 | sing | 1.35Å | 1.41Å | |
C03 | C04 | sing | 1.55Å | 1.54Å | |
C03 | C02 | sing | 1.55Å | 1.54Å | |
C04 | N21 | sing | 1.47Å | 1.47Å | |
C04 | O05 | sing | 1.44Å | 1.42Å | |
N21 | C22 | sing | 1.37Å | 1.38Å | |
O01 | C02 | sing | 1.43Å | 1.40Å | |
C25 | O26 | doub | 1.22Å | 1.22Å | |
C25 | C23 | sing | 1.42Å | 1.45Å | |
C02 | C06 | sing | 1.54Å | 1.54Å | |
O05 | C06 | sing | 1.44Å | 1.47Å | |
C22 | C23 | doub | 1.35Å | 1.33Å | |
C06 | C07 | sing | 1.53Å | 1.50Å | |
C23 | F24 | sing | 1.35Å | 1.32Å | |
O15 | P13 | doub | 1.48Å | 1.50Å | |
C07 | O08 | sing | 1.43Å | 1.44Å | |
O08 | P09 | sing | 1.61Å | 1.66Å | |
P13 | O12 | sing | 1.61Å | 1.73Å | |
P13 | O14 | sing | 1.61Å | 1.50Å | |
P13 | O16 | sing | 1.61Å | 1.56Å | |
O12 | P09 | sing | 1.61Å | 1.54Å | |
O16 | P17 | sing | 1.61Å | 1.61Å | |
P09 | O10 | doub | 1.48Å | 1.50Å | |
P09 | O11 | sing | 1.61Å | 1.50Å | |
P17 | O19 | doub | 1.48Å | 1.51Å | |
P17 | O18 | sing | 1.61Å | 1.52Å | |
P17 | O20 | sing | 1.61Å | 1.52Å | |
C22 | H1 | sing | 1.08Å | 1.08Å | |
O01 | H2 | sing | 0.97Å | 0.95Å | |
C02 | H3 | sing | 1.09Å | 1.10Å | |
C03 | H4 | sing | 1.09Å | 1.10Å | |
C03 | H5 | sing | 1.09Å | 1.10Å | |
C04 | H6 | sing | 1.09Å | 1.10Å | |
C06 | H7 | sing | 1.09Å | 1.10Å | |
C07 | H8 | sing | 1.09Å | 1.10Å | |
C07 | H9 | sing | 1.09Å | 1.10Å | |
O11 | H10 | sing | 0.97Å | 0.95Å | |
O14 | H11 | sing | 0.97Å | 0.95Å | |
O18 | H12 | sing | 0.97Å | 0.95Å | |
O20 | H13 | sing | 0.97Å | 0.95Å | |
N27 | H14 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O29 | C28 | N27 | 118.3° | 119.5° |
O29 | C28 | N21 | 124.3° | 119.6° |
N27 | C28 | N21 | 117.4° | 121.0° |
C28 | N27 | C25 | 125.9° | 120.3° |
C28 | N27 | H14 | 117.0° | 119.9° |
C28 | N21 | C04 | 117.1° | 119.6° |
C28 | N21 | C22 | 119.6° | 120.6° |
N27 | C25 | O26 | 121.8° | 120.3° |
N27 | C25 | C23 | 112.3° | 119.4° |
C25 | N27 | H14 | 117.1° | 119.8° |
C04 | C03 | C02 | 104.1° | 102.1° |
C03 | C04 | N21 | 111.4° | 110.6° |
C03 | C04 | O05 | 104.6° | 103.5° |
C04 | C03 | H4 | 110.8° | 110.9° |
C04 | C03 | H5 | 110.8° | 110.9° |
C03 | C04 | H6 | 109.7° | 110.6° |
C03 | C02 | O01 | 108.7° | 110.5° |
C03 | C02 | C06 | 101.0° | 104.2° |
C03 | C02 | H3 | 110.8° | 110.6° |
C02 | C03 | H4 | 110.8° | 110.9° |
C02 | C03 | H5 | 110.8° | 110.9° |
N21 | C04 | O05 | 108.7° | 110.6° |
C04 | N21 | C22 | 123.0° | 119.7° |
N21 | C04 | H6 | 110.7° | 110.6° |
C04 | O05 | C06 | 112.6° | 107.0° |
O05 | C04 | H6 | 111.5° | 110.7° |
N21 | C22 | C23 | 122.1° | 119.7° |
N21 | C22 | H1 | 118.9° | 120.2° |
O01 | C02 | C06 | 111.7° | 110.5° |
C02 | O01 | H2 | 109.5° | 114.0° |
O01 | C02 | H3 | 113.0° | 110.5° |
O26 | C25 | C23 | 125.8° | 120.3° |
C25 | C23 | C22 | 122.6° | 119.1° |
C25 | C23 | F24 | 115.2° | 120.5° |
C02 | C06 | O05 | 102.8° | 107.3° |
C02 | C06 | C07 | 111.7° | 109.9° |
C06 | C02 | H3 | 110.9° | 110.4° |
C02 | C06 | H7 | 109.1° | 109.9° |
O05 | C06 | C07 | 113.6° | 109.9° |
O05 | C06 | H7 | 110.0° | 109.9° |
C22 | C23 | F24 | 122.2° | 120.5° |
C23 | C22 | H1 | 118.9° | 120.2° |
C06 | C07 | O08 | 109.1° | 109.4° |
C07 | C06 | H7 | 109.5° | 110.0° |
C06 | C07 | H8 | 109.6° | 109.5° |
C06 | C07 | H9 | 109.6° | 109.5° |
O15 | P13 | O12 | 95.5° | 109.5° |
O15 | P13 | O14 | 119.6° | 109.5° |
O15 | P13 | O16 | 109.9° | 109.5° |
C07 | O08 | P09 | 121.0° | 123.0° |
O08 | C07 | H8 | 109.6° | 109.4° |
O08 | C07 | H9 | 109.6° | 109.4° |
O08 | P09 | O12 | 103.2° | 109.5° |
O08 | P09 | O10 | 102.3° | 109.5° |
O08 | P09 | O11 | 104.2° | 109.5° |
O12 | P13 | O14 | 101.3° | 109.4° |
O12 | P13 | O16 | 115.5° | 109.5° |
P13 | O12 | P09 | 134.4° | 134.0° |
O14 | P13 | O16 | 113.7° | 109.4° |
P13 | O14 | H11 | 109.5° | 114.0° |
P13 | O16 | P17 | 132.1° | 134.0° |
O12 | P09 | O10 | 115.4° | 109.4° |
O12 | P09 | O11 | 113.8° | 109.4° |
O16 | P17 | O19 | 103.1° | 109.4° |
O16 | P17 | O18 | 103.1° | 109.5° |
O16 | P17 | O20 | 110.1° | 109.5° |
O10 | P09 | O11 | 115.7° | 109.5° |
P09 | O11 | H10 | 109.5° | 114.0° |
O19 | P17 | O18 | 114.4° | 109.5° |
O19 | P17 | O20 | 113.5° | 109.5° |
O18 | P17 | O20 | 111.8° | 109.5° |
P17 | O18 | H12 | 109.5° | 114.0° |
P17 | O20 | H13 | 109.5° | 114.0° |
H4 | C03 | H5 | 109.5° | 110.9° |
H8 | C07 | H9 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O29 | C28 | N27 | N21 | 179.7° | 179.3° |
O29 | C28 | N27 | C25 | 178.4° | 180.0° |
O29 | C28 | N21 | C04 | 2.2° | 0.2° |
O29 | C28 | N21 | C22 | 176.7° | 179.7° |
O29 | C28 | N27 | H14 | 1.6° | 0.8° |
C28 | N27 | C25 | H14 | 180.0° | 179.2° |
N27 | C28 | N21 | C04 | 177.5° | 179.5° |
N27 | C28 | N21 | C22 | 3.0° | 0.5° |
C28 | N27 | C25 | O26 | 179.7° | 179.5° |
C28 | N27 | C25 | C23 | 0.0° | 0.5° |
N21 | C28 | N27 | C25 | 1.3° | 0.7° |
C28 | N21 | C04 | C03 | 97.2° | 115.0° |
C28 | N21 | C04 | C22 | 174.3° | 179.9° |
C28 | N21 | C04 | O05 | 148.0° | 131.0° |
C28 | N21 | C22 | C23 | 3.7° | 0.1° |
C28 | N21 | C22 | H1 | 176.3° | 179.7° |
C28 | N21 | C04 | H6 | 25.2° | 7.9° |
N21 | C28 | N27 | H14 | 178.7° | 180.0° |
N27 | C25 | O26 | C23 | 179.7° | 179.9° |
N27 | C25 | C23 | C22 | 0.6° | 0.0° |
N27 | C25 | C23 | F24 | 178.9° | 180.0° |
C04 | C03 | C02 | H4 | 119.1° | 118.2° |
C04 | C03 | C02 | H5 | 119.1° | 118.2° |
C03 | C04 | N21 | O05 | 114.8° | 114.0° |
C03 | C04 | N21 | H6 | 122.4° | 122.9° |
C03 | C04 | O05 | H6 | 118.5° | 118.6° |
C03 | C04 | N21 | C22 | 77.1° | 64.9° |
C04 | C03 | C02 | O01 | 154.3° | 97.8° |
C04 | C03 | C02 | C06 | 36.6° | 20.9° |
C03 | C04 | O05 | C06 | 0.2° | 40.0° |
C04 | C03 | C02 | H3 | 80.9° | 139.6° |
C04 | C03 | H4 | H5 | 122.5° | 123.7° |
C02 | C03 | C04 | N21 | 94.0° | 155.5° |
C02 | C03 | C04 | O05 | 23.3° | 37.0° |
C03 | C02 | O01 | C06 | 110.6° | 114.8° |
C03 | C02 | O01 | H3 | 123.5° | 122.7° |
C03 | C02 | C06 | H3 | 117.5° | 118.8° |
C03 | C02 | C06 | O05 | 36.1° | 2.0° |
C03 | C02 | C06 | C07 | 158.2° | 121.5° |
C03 | C02 | O01 | H2 | 180.0° | 65.2° |
C02 | C03 | H4 | H5 | 122.5° | 123.6° |
C02 | C03 | C04 | H6 | 143.0° | 81.6° |
C03 | C02 | C06 | H7 | 80.6° | 117.4° |
N21 | C04 | O05 | H6 | 122.3° | 123.0° |
N21 | C04 | O05 | C06 | 119.3° | 158.5° |
C04 | N21 | C22 | C23 | 177.9° | 180.0° |
C04 | N21 | C22 | H1 | 2.1° | 0.3° |
N21 | C04 | C03 | H4 | 146.9° | 37.3° |
N21 | C04 | C03 | H5 | 25.2° | 86.3° |
O05 | C04 | N21 | C22 | 37.7° | 49.1° |
C04 | O05 | C06 | C02 | 23.6° | 26.5° |
C04 | O05 | C06 | C07 | 144.4° | 145.9° |
O05 | C04 | C03 | H4 | 95.8° | 81.2° |
O05 | C04 | C03 | H5 | 142.5° | 155.2° |
C04 | O05 | C06 | H7 | 92.4° | 92.9° |
N21 | C22 | C23 | C25 | 2.4° | 0.3° |
N21 | C22 | C23 | H1 | 180.0° | 179.7° |
N21 | C22 | C23 | F24 | 179.4° | 179.8° |
C22 | N21 | C04 | H6 | 160.5° | 172.1° |
O01 | C02 | C06 | H3 | 127.1° | 122.5° |
O01 | C02 | C06 | O05 | 151.5° | 120.7° |
O01 | C02 | C06 | C07 | 86.4° | 119.8° |
O01 | C02 | C03 | H4 | 35.1° | 144.0° |
O01 | C02 | C03 | H5 | 86.6° | 20.4° |
O01 | C02 | C06 | H7 | 34.8° | 1.3° |
O26 | C25 | C23 | C22 | 179.1° | 180.0° |
O26 | C25 | C23 | F24 | 0.8° | 0.0° |
O26 | C25 | N27 | H14 | 0.3° | 0.3° |
C25 | C23 | C22 | F24 | 178.2° | 180.0° |
C25 | C23 | C22 | H1 | 177.5° | 179.9° |
C23 | C25 | N27 | H14 | 179.9° | 179.7° |
C02 | C06 | O05 | C07 | 120.8° | 119.4° |
C02 | C06 | O05 | H7 | 116.0° | 119.4° |
C02 | C06 | C07 | H7 | 120.9° | 121.1° |
C02 | C06 | C07 | O08 | 52.0° | 175.0° |
C06 | C02 | O01 | H2 | 69.4° | 180.0° |
C06 | C02 | C03 | H4 | 82.5° | 97.3° |
C06 | C02 | C03 | H5 | 155.8° | 139.1° |
C02 | C06 | C07 | H8 | 171.9° | 55.0° |
C02 | C06 | C07 | H9 | 67.9° | 65.1° |
O05 | C06 | C07 | H7 | 123.4° | 121.1° |
O05 | C06 | C07 | O08 | 63.6° | 67.1° |
O05 | C06 | C02 | H3 | 81.4° | 116.8° |
C06 | O05 | C04 | H6 | 118.3° | 78.5° |
O05 | C06 | C07 | H8 | 56.3° | 172.9° |
O05 | C06 | C07 | H9 | 176.4° | 52.8° |
C06 | C07 | O08 | H8 | 119.9° | 120.0° |
C06 | C07 | O08 | H9 | 120.0° | 120.0° |
C06 | C07 | O08 | P09 | 132.5° | 180.0° |
C07 | C06 | C02 | H3 | 40.7° | 2.7° |
C06 | C07 | H8 | H9 | 120.2° | 120.1° |
F24 | C23 | C22 | H1 | 0.6° | 0.1° |
O15 | P13 | O12 | O14 | 121.6° | 120.0° |
O15 | P13 | O12 | O16 | 115.1° | 120.0° |
O15 | P13 | O14 | O16 | 132.4° | 120.0° |
O15 | P13 | O12 | P09 | 155.8° | 45.0° |
O15 | P13 | O16 | P17 | 173.7° | 40.0° |
O15 | P13 | O14 | H11 | 0.0° | 179.9° |
C07 | O08 | P09 | O12 | 76.3° | 175.0° |
C07 | O08 | P09 | O10 | 163.6° | 55.0° |
C07 | O08 | P09 | O11 | 42.8° | 65.0° |
O08 | C07 | C06 | H7 | 172.9° | 53.9° |
O08 | C07 | H8 | H9 | 120.2° | 120.0° |
O08 | P09 | O12 | P13 | 116.7° | 165.0° |
O08 | P09 | O12 | O10 | 110.6° | 120.0° |
O08 | P09 | O12 | O11 | 112.2° | 120.0° |
O08 | P09 | O10 | O11 | 112.5° | 120.0° |
P09 | O08 | C07 | H8 | 107.6° | 60.0° |
P09 | O08 | C07 | H9 | 12.5° | 60.0° |
O08 | P09 | O11 | H10 | 111.4° | 60.0° |
O12 | P13 | O14 | O16 | 124.5° | 120.0° |
O12 | P13 | O16 | P17 | 79.7° | 160.0° |
P13 | O12 | P09 | O10 | 132.7° | 45.0° |
P13 | O12 | P09 | O11 | 4.4° | 75.0° |
O12 | P13 | O14 | H11 | 103.0° | 59.9° |
O14 | P13 | O12 | P09 | 34.2° | 75.1° |
O14 | P13 | O16 | P17 | 36.7° | 80.1° |
O16 | P13 | O12 | P09 | 89.1° | 165.0° |
P13 | O16 | P17 | O19 | 114.7° | 44.9° |
P13 | O16 | P17 | O18 | 126.1° | 75.0° |
P13 | O16 | P17 | O20 | 6.7° | 165.0° |
O16 | P13 | O14 | H11 | 132.5° | 60.0° |
O12 | P09 | O10 | O11 | 136.3° | 119.9° |
O12 | P09 | O11 | H10 | 137.0° | 60.0° |
O16 | P17 | O19 | O18 | 111.1° | 120.0° |
O16 | P17 | O19 | O20 | 119.1° | 120.0° |
O16 | P17 | O18 | O20 | 118.2° | 120.0° |
O16 | P17 | O18 | H12 | 111.1° | 60.0° |
O16 | P17 | O20 | H13 | 114.9° | 180.0° |
O10 | P09 | O11 | H10 | 0.0° | 180.0° |
O19 | P17 | O18 | O20 | 130.7° | 120.0° |
O19 | P17 | O18 | H12 | 0.0° | 180.0° |
O19 | P17 | O20 | H13 | 0.0° | 60.0° |
O18 | P17 | O20 | H13 | 131.1° | 60.0° |
O20 | P17 | O18 | H12 | 130.6° | 60.0° |
H2 | O01 | C02 | H3 | 56.5° | 57.5° |
H3 | C02 | C03 | H4 | 159.9° | 21.4° |
H3 | C02 | C03 | H5 | 38.2° | 102.2° |
H3 | C02 | C06 | H7 | 161.9° | 123.8° |
H4 | C03 | C04 | H6 | 23.9° | 160.2° |
H5 | C03 | C04 | H6 | 97.8° | 36.6° |
H7 | C06 | C07 | H8 | 67.1° | 66.0° |
H7 | C06 | C07 | H9 | 53.0° | 173.9° |