AMZ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O5 | C6 | doub | 1.22Å | 1.24Å | |
C6 | N2 | sing | 1.35Å | 1.31Å | |
C6 | C3A | sing | 1.47Å | 1.53Å | |
N2 | H11 | sing | 0.97Å | 1.02Å | |
N2 | H12 | sing | 0.97Å | 1.02Å | |
C3A | C7A | doub | 1.39Å | 1.42Å | Aromatic |
C3A | N1 | sing | 1.36Å | 1.38Å | Aromatic |
C7A | N3 | sing | 1.38Å | 1.43Å | |
C7A | N | sing | 1.36Å | 1.37Å | Aromatic |
N3 | H9 | sing | 0.97Å | 1.02Å | |
N3 | H10 | sing | 0.97Å | 1.02Å | |
N1 | C5 | doub | 1.30Å | 1.36Å | Aromatic |
C5 | N | sing | 1.36Å | 1.41Å | Aromatic |
C5 | H13 | sing | 1.08Å | 1.10Å | |
N | C1 | sing | 1.46Å | 1.51Å | |
C1 | C2 | sing | 1.54Å | 1.52Å | |
C1 | O | sing | 1.44Å | 1.42Å | |
C1 | H2 | sing | 1.09Å | 1.12Å | |
C2 | C3 | sing | 1.55Å | 1.52Å | |
C2 | O1 | sing | 1.43Å | 1.43Å | |
C2 | H3 | sing | 1.09Å | 1.11Å | |
C3 | O2 | sing | 1.43Å | 1.43Å | |
C3 | C | sing | 1.54Å | 1.54Å | |
C3 | H4 | sing | 1.09Å | 1.11Å | |
O2 | H5 | sing | 0.97Å | 0.95Å | |
O1 | H1 | sing | 0.97Å | 0.95Å | |
O | C | sing | 1.44Å | 1.45Å | |
C | C4 | sing | 1.53Å | 1.54Å | |
C | H6 | sing | 1.09Å | 1.12Å | |
C4 | O3 | sing | 1.43Å | 1.45Å | |
C4 | H7 | sing | 1.09Å | 1.12Å | |
C4 | H8 | sing | 1.09Å | 1.12Å | |
O3 | P | sing | 1.61Å | 1.63Å | |
P | OP1 | sing | 1.61Å | 1.61Å | |
P | O4 | sing | 1.61Å | 1.60Å | |
P | OP2 | doub | 1.48Å | 1.59Å | |
OP1 | H15 | sing | 0.97Å | 0.95Å | |
O4 | H14 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O5 | C6 | N2 | 118.0° | 120.0° |
O5 | C6 | C3A | 120.8° | 120.0° |
N2 | C6 | C3A | 121.1° | 120.0° |
C6 | N2 | H11 | 121.1° | 120.0° |
C6 | N2 | H12 | 118.0° | 120.0° |
C6 | C3A | C7A | 123.5° | 126.4° |
C6 | C3A | N1 | 126.0° | 126.3° |
H11 | N2 | H12 | 120.9° | 120.0° |
C7A | C3A | N1 | 110.5° | 107.3° |
C3A | C7A | N3 | 127.0° | 126.8° |
C3A | C7A | N | 111.7° | 106.4° |
C3A | N1 | C5 | 99.2° | 109.2° |
N3 | C7A | N | 121.2° | 126.8° |
C7A | N3 | H9 | 127.0° | 120.0° |
C7A | N3 | H10 | 106.1° | 119.9° |
C7A | N | C5 | 98.0° | 107.6° |
C7A | N | C1 | 128.5° | 126.3° |
H9 | N3 | H10 | 106.0° | 120.1° |
N1 | C5 | N | 120.5° | 109.5° |
N1 | C5 | H13 | 118.0° | 125.2° |
N | C5 | H13 | 121.4° | 125.2° |
C5 | N | C1 | 133.2° | 126.1° |
N | C1 | C2 | 106.0° | 110.4° |
N | C1 | O | 112.0° | 110.4° |
N | C1 | H2 | 113.2° | 110.3° |
C2 | C1 | O | 117.0° | 104.9° |
C2 | C1 | H2 | 107.6° | 110.3° |
C1 | C2 | C3 | 97.0° | 104.0° |
C1 | C2 | O1 | 110.7° | 110.8° |
C1 | C2 | H3 | 119.5° | 110.4° |
O | C1 | H2 | 101.1° | 110.4° |
C1 | O | C | 101.0° | 105.2° |
C3 | C2 | O1 | 117.2° | 110.5° |
C3 | C2 | H3 | 113.2° | 110.5° |
C2 | C3 | O2 | 107.2° | 110.5° |
C2 | C3 | C | 102.8° | 104.1° |
C2 | C3 | H4 | 116.6° | 110.6° |
O1 | C2 | H3 | 100.2° | 110.5° |
C2 | O1 | H1 | 110.8° | 106.8° |
O2 | C3 | C | 113.5° | 110.5° |
O2 | C3 | H4 | 106.4° | 110.5° |
C3 | O2 | H5 | 107.2° | 106.8° |
C | C3 | H4 | 110.5° | 110.5° |
C3 | C | O | 110.4° | 104.8° |
C3 | C | C4 | 109.0° | 110.5° |
C3 | C | H6 | 109.3° | 110.4° |
O | C | C4 | 109.8° | 110.4° |
O | C | H6 | 108.5° | 110.4° |
C4 | C | H6 | 109.9° | 110.3° |
C | C4 | O3 | 114.0° | 109.5° |
C | C4 | H7 | 110.5° | 109.5° |
C | C4 | H8 | 110.6° | 109.4° |
O3 | C4 | H7 | 110.6° | 109.4° |
O3 | C4 | H8 | 110.6° | 109.5° |
C4 | O3 | P | 117.7° | 106.8° |
H7 | C4 | H8 | 99.7° | 109.5° |
O3 | P | OP1 | 102.9° | 109.5° |
O3 | P | O4 | 113.5° | 109.5° |
O3 | P | OP2 | 104.8° | 109.5° |
OP1 | P | O4 | 109.7° | 109.4° |
OP1 | P | OP2 | 116.3° | 109.4° |
P | OP1 | H15 | 102.9° | 106.8° |
O4 | P | OP2 | 109.5° | 109.5° |
P | O4 | H14 | 113.4° | 106.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O5 | C6 | N2 | C3A | 179.7° | 180.0° |
O5 | C6 | N2 | H11 | 0.3° | 0.0° |
O5 | C6 | N2 | H12 | 180.0° | 179.7° |
O5 | C6 | C3A | C7A | 0.1° | 0.2° |
O5 | C6 | C3A | N1 | 179.9° | 180.0° |
C6 | N2 | H11 | H12 | 179.6° | 179.7° |
N2 | C6 | C3A | C7A | 179.8° | 179.7° |
N2 | C6 | C3A | N1 | 0.5° | 0.0° |
C3A | C6 | N2 | H11 | 180.0° | 180.0° |
C3A | C6 | N2 | H12 | 0.3° | 0.2° |
C6 | C3A | C7A | N1 | 179.8° | 179.8° |
C6 | C3A | C7A | N3 | 0.4° | 0.2° |
C6 | C3A | C7A | N | 179.6° | 179.8° |
C6 | C3A | N1 | C5 | 179.5° | 180.0° |
C3A | C7A | N3 | N | 180.0° | 179.6° |
C3A | C7A | N3 | H9 | 180.0° | 0.4° |
C3A | C7A | N3 | H10 | 54.8° | 179.6° |
C7A | C3A | N1 | C5 | 0.3° | 0.3° |
C3A | C7A | N | C5 | 0.0° | 0.4° |
C3A | C7A | N | C1 | 175.4° | 179.9° |
N1 | C3A | C7A | N3 | 179.8° | 179.9° |
N1 | C3A | C7A | N | 0.2° | 0.4° |
C3A | N1 | C5 | N | 0.3° | 0.0° |
C3A | N1 | C5 | H13 | 179.6° | 179.9° |
C7A | N3 | H9 | H10 | 125.3° | 180.0° |
N3 | C7A | N | C5 | 179.9° | 179.9° |
N3 | C7A | N | C1 | 4.7° | 0.3° |
N | C7A | N3 | H9 | 0.1° | 180.0° |
N | C7A | N3 | H10 | 125.2° | 0.0° |
C7A | N | C5 | N1 | 0.2° | 0.3° |
C7A | N | C5 | C1 | 175.1° | 179.7° |
C7A | N | C5 | H13 | 179.8° | 179.8° |
C7A | N | C1 | C2 | 124.1° | 91.8° |
C7A | N | C1 | O | 107.1° | 152.6° |
C7A | N | C1 | H2 | 6.4° | 30.3° |
N1 | C5 | N | H13 | 180.0° | 180.0° |
N1 | C5 | N | C1 | 175.3° | 179.9° |
C5 | N | C1 | C2 | 62.1° | 88.6° |
C5 | N | C1 | O | 66.7° | 27.0° |
C5 | N | C1 | H2 | 179.9° | 149.3° |
H13 | C5 | N | C1 | 4.7° | 0.1° |
N | C1 | C2 | O | 125.8° | 118.9° |
N | C1 | C2 | H2 | 121.4° | 122.1° |
N | C1 | O | H2 | 120.7° | 122.2° |
N | C1 | C2 | C3 | 98.9° | 142.8° |
N | C1 | C2 | O1 | 138.4° | 98.5° |
N | C1 | C2 | H3 | 22.9° | 24.2° |
N | C1 | O | C | 114.6° | 159.4° |
C2 | C1 | O | H2 | 116.5° | 118.9° |
C1 | C2 | C3 | O1 | 117.7° | 119.0° |
C1 | C2 | C3 | H3 | 126.4° | 118.5° |
C1 | C2 | O1 | H3 | 127.1° | 122.7° |
C1 | C2 | C3 | O2 | 151.6° | 118.8° |
C1 | C2 | C3 | C | 31.7° | 0.2° |
C1 | C2 | C3 | H4 | 89.4° | 118.5° |
C1 | C2 | O1 | H1 | 179.9° | 176.2° |
C2 | C1 | O | C | 8.2° | 40.4° |
O | C1 | C2 | C3 | 26.9° | 23.8° |
O | C1 | C2 | O1 | 95.8° | 142.6° |
O | C1 | C2 | H3 | 148.6° | 94.7° |
C1 | O | C | C3 | 14.9° | 40.5° |
C1 | O | C | C4 | 135.0° | 159.5° |
C1 | O | C | H6 | 104.9° | 78.3° |
H2 | C1 | C2 | C3 | 139.7° | 95.1° |
H2 | C1 | C2 | O1 | 17.1° | 23.7° |
H2 | C1 | C2 | H3 | 98.5° | 146.4° |
H2 | C1 | O | C | 124.7° | 78.4° |
C3 | C2 | O1 | H3 | 122.9° | 122.6° |
C2 | C3 | O2 | C | 112.8° | 114.7° |
C2 | C3 | O2 | H4 | 125.4° | 122.7° |
C2 | C3 | C | H4 | 125.1° | 118.8° |
C2 | C3 | O2 | H5 | 179.9° | 65.4° |
C3 | C2 | O1 | H1 | 70.0° | 61.5° |
C2 | C3 | C | O | 31.9° | 24.1° |
C2 | C3 | C | C4 | 152.6° | 143.0° |
C2 | C3 | C | H6 | 87.3° | 94.8° |
O1 | C2 | C3 | O2 | 33.9° | 0.1° |
O1 | C2 | C3 | C | 86.0° | 118.8° |
O1 | C2 | C3 | H4 | 152.9° | 122.5° |
H3 | C2 | C3 | O2 | 82.0° | 122.7° |
H3 | C2 | C3 | C | 158.0° | 118.6° |
H3 | C2 | C3 | H4 | 37.0° | 0.0° |
H3 | C2 | O1 | H1 | 52.9° | 61.1° |
O2 | C3 | C | H4 | 119.5° | 122.6° |
O2 | C3 | C | O | 147.3° | 142.8° |
O2 | C3 | C | C4 | 92.0° | 98.3° |
O2 | C3 | C | H6 | 28.1° | 23.9° |
C | C3 | O2 | H5 | 67.1° | 180.0° |
C3 | C | O | C4 | 120.1° | 119.0° |
C3 | C | O | H6 | 119.8° | 118.8° |
C3 | C | C4 | H6 | 119.8° | 122.3° |
C3 | C | C4 | O3 | 57.5° | 176.9° |
C3 | C | C4 | H7 | 177.2° | 63.1° |
C3 | C | C4 | H8 | 67.8° | 57.0° |
H4 | C3 | O2 | H5 | 54.7° | 57.4° |
H4 | C3 | C | O | 93.2° | 94.7° |
H4 | C3 | C | C4 | 27.4° | 24.3° |
H4 | C3 | C | H6 | 147.5° | 146.4° |
O | C | C4 | H6 | 119.3° | 122.3° |
O | C | C4 | O3 | 63.5° | 61.5° |
O | C | C4 | H7 | 61.8° | 178.6° |
O | C | C4 | H8 | 171.2° | 58.5° |
C | C4 | O3 | H7 | 125.3° | 120.0° |
C | C4 | O3 | H8 | 125.3° | 120.0° |
C | C4 | H7 | H8 | 116.4° | 120.0° |
C | C4 | O3 | P | 167.8° | 179.9° |
H6 | C | C4 | O3 | 177.2° | 60.8° |
H6 | C | C4 | H7 | 57.5° | 59.1° |
H6 | C | C4 | H8 | 52.0° | 179.2° |
O3 | C4 | H7 | H8 | 116.4° | 120.0° |
C4 | O3 | P | OP1 | 61.0° | 180.0° |
C4 | O3 | P | O4 | 179.5° | 60.1° |
C4 | O3 | P | OP2 | 61.1° | 60.0° |
H7 | C4 | O3 | P | 66.9° | 60.1° |
H8 | C4 | O3 | P | 42.6° | 60.0° |
O3 | P | OP1 | O4 | 121.1° | 120.0° |
O3 | P | OP1 | OP2 | 113.9° | 120.0° |
O3 | P | O4 | OP2 | 116.7° | 120.1° |
O3 | P | OP1 | H15 | 179.9° | 180.0° |
O3 | P | O4 | H14 | 180.0° | 59.9° |
OP1 | P | O4 | OP2 | 128.8° | 120.0° |
OP1 | P | O4 | H14 | 65.5° | 60.0° |
O4 | P | OP1 | H15 | 59.0° | 60.0° |
OP2 | P | OP1 | H15 | 66.0° | 60.0° |
OP2 | P | O4 | H14 | 63.3° | 180.0° |