G87
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O12 | S10 | doub | 1.42Å | 1.44Å | |
| O11 | S10 | doub | 1.42Å | 1.44Å | |
| CL1 | C03 | sing | 1.74Å | 1.75Å | |
| S10 | C13 | sing | 1.76Å | 1.81Å | |
| S10 | N09 | sing | 1.66Å | 1.65Å | |
| O24 | C25 | sing | 1.43Å | 1.41Å | |
| O24 | C16 | sing | 1.35Å | 1.41Å | |
| N14 | C13 | doub | 1.31Å | 1.38Å | Aromatic |
| N14 | N15 | sing | 1.40Å | 1.36Å | Aromatic |
| C13 | N21 | sing | 1.33Å | 1.34Å | Aromatic |
| C01 | C02 | sing | 1.51Å | 1.48Å | |
| C16 | N15 | sing | 1.37Å | 1.38Å | Aromatic |
| C16 | C17 | doub | 1.36Å | 1.38Å | Aromatic |
| N15 | C20 | sing | 1.37Å | 1.33Å | Aromatic |
| C03 | C02 | doub | 1.38Å | 1.38Å | Aromatic |
| C03 | C04 | sing | 1.39Å | 1.41Å | Aromatic |
| N09 | C04 | sing | 1.40Å | 1.42Å | |
| N21 | C20 | doub | 1.33Å | 1.42Å | Aromatic |
| C02 | C07 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | N19 | sing | 1.34Å | 1.44Å | Aromatic |
| C17 | C18 | sing | 1.40Å | 1.43Å | Aromatic |
| C04 | C05 | doub | 1.39Å | 1.40Å | Aromatic |
| N19 | C18 | doub | 1.32Å | 1.33Å | Aromatic |
| C18 | O22 | sing | 1.36Å | 1.43Å | |
| C07 | C06 | doub | 1.38Å | 1.41Å | Aromatic |
| C05 | C06 | sing | 1.38Å | 1.38Å | Aromatic |
| C05 | CL | sing | 1.74Å | 1.77Å | |
| O22 | C23 | sing | 1.43Å | 1.44Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C06 | H4 | sing | 1.08Å | 1.08Å | |
| C07 | H5 | sing | 1.08Å | 1.08Å | |
| N09 | H6 | sing | 0.97Å | 1.00Å | |
| C17 | H7 | sing | 1.08Å | 1.08Å | |
| C23 | H8 | sing | 1.09Å | 1.10Å | |
| C23 | H9 | sing | 1.09Å | 1.10Å | |
| C23 | H10 | sing | 1.09Å | 1.10Å | |
| C25 | H11 | sing | 1.09Å | 1.10Å | |
| C25 | H12 | sing | 1.09Å | 1.10Å | |
| C25 | H13 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O12 | S10 | O11 | 103.0° | 123.2° |
| O12 | S10 | C13 | 108.2° | 106.4° |
| O12 | S10 | N09 | 112.2° | 106.4° |
| O11 | S10 | C13 | 111.6° | 106.4° |
| O11 | S10 | N09 | 111.9° | 106.4° |
| CL1 | C03 | C02 | 119.9° | 120.0° |
| CL1 | C03 | C04 | 120.0° | 120.1° |
| C13 | S10 | N09 | 109.7° | 107.2° |
| S10 | C13 | N14 | 123.6° | 125.2° |
| S10 | C13 | N21 | 127.6° | 125.2° |
| S10 | N09 | C04 | 118.9° | 120.0° |
| S10 | N09 | H6 | 107.1° | 120.0° |
| C25 | O24 | C16 | 115.9° | 117.0° |
| O24 | C25 | H11 | 109.5° | 109.5° |
| O24 | C25 | H12 | 109.5° | 109.5° |
| O24 | C25 | H13 | 109.5° | 109.4° |
| O24 | C16 | N15 | 117.0° | 120.5° |
| O24 | C16 | C17 | 123.5° | 120.5° |
| C13 | N14 | N15 | 107.4° | 107.1° |
| N14 | C13 | N21 | 108.8° | 109.6° |
| N14 | N15 | C16 | 128.4° | 133.3° |
| N14 | N15 | C20 | 109.2° | 106.4° |
| C13 | N21 | C20 | 106.7° | 109.7° |
| C01 | C02 | C03 | 119.6° | 119.9° |
| C01 | C02 | C07 | 120.3° | 120.0° |
| C02 | C01 | H1 | 109.5° | 109.4° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.4° |
| N15 | C16 | C17 | 119.5° | 119.0° |
| C16 | N15 | C20 | 122.4° | 120.3° |
| C16 | C17 | C18 | 118.9° | 119.1° |
| C16 | C17 | H7 | 120.5° | 120.5° |
| N15 | C20 | N21 | 108.0° | 107.2° |
| N15 | C20 | N19 | 119.1° | 120.4° |
| C02 | C03 | C04 | 120.1° | 119.9° |
| C03 | C02 | C07 | 120.1° | 120.1° |
| C03 | C04 | N09 | 119.5° | 120.1° |
| C03 | C04 | C05 | 119.7° | 119.8° |
| N09 | C04 | C05 | 120.8° | 120.1° |
| C04 | N09 | H6 | 107.1° | 120.1° |
| N21 | C20 | N19 | 133.0° | 132.4° |
| C02 | C07 | C06 | 120.0° | 120.2° |
| C02 | C07 | H5 | 120.0° | 120.0° |
| C20 | N19 | C18 | 119.5° | 120.9° |
| C17 | C18 | N19 | 120.7° | 120.3° |
| C17 | C18 | O22 | 121.5° | 119.8° |
| C18 | C17 | H7 | 120.6° | 120.4° |
| C04 | C05 | C06 | 120.0° | 119.9° |
| C04 | C05 | CL | 120.2° | 120.0° |
| N19 | C18 | O22 | 117.8° | 119.9° |
| C18 | O22 | C23 | 112.0° | 117.0° |
| C07 | C06 | C05 | 120.1° | 120.0° |
| C07 | C06 | H4 | 120.0° | 120.0° |
| C06 | C07 | H5 | 120.0° | 119.8° |
| C06 | C05 | CL | 119.8° | 120.0° |
| C05 | C06 | H4 | 119.9° | 120.0° |
| O22 | C23 | H8 | 109.5° | 109.5° |
| O22 | C23 | H9 | 109.5° | 109.5° |
| O22 | C23 | H10 | 109.5° | 109.5° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.4° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H8 | C23 | H9 | 109.5° | 109.5° |
| H8 | C23 | H10 | 109.5° | 109.5° |
| H9 | C23 | H10 | 109.5° | 109.4° |
| H11 | C25 | H12 | 109.4° | 109.5° |
| H11 | C25 | H13 | 109.5° | 109.5° |
| H12 | C25 | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O12 | S10 | O11 | C13 | 115.8° | 123.0° |
| O12 | S10 | O11 | N09 | 120.8° | 122.9° |
| O12 | S10 | C13 | N09 | 122.8° | 113.5° |
| O12 | S10 | C13 | N14 | 3.0° | 151.7° |
| O12 | S10 | C13 | N21 | 176.9° | 28.5° |
| O12 | S10 | N09 | C04 | 36.2° | 180.0° |
| O12 | S10 | N09 | H6 | 157.5° | 0.0° |
| O11 | S10 | C13 | N09 | 124.6° | 113.5° |
| O11 | S10 | C13 | N14 | 115.7° | 18.8° |
| O11 | S10 | C13 | N21 | 64.2° | 161.5° |
| O11 | S10 | N09 | C04 | 151.4° | 47.1° |
| O11 | S10 | N09 | H6 | 87.2° | 132.9° |
| CL1 | C03 | C02 | C01 | 0.2° | 0.0° |
| CL1 | C03 | C02 | C04 | 179.7° | 180.0° |
| CL1 | C03 | C04 | N09 | 0.8° | 0.0° |
| CL1 | C03 | C02 | C07 | 179.9° | 179.7° |
| CL1 | C03 | C04 | C05 | 180.0° | 180.0° |
| S10 | C13 | N14 | N21 | 179.9° | 179.8° |
| S10 | C13 | N14 | N15 | 179.9° | 179.8° |
| C13 | S10 | N09 | C04 | 84.1° | 66.5° |
| S10 | C13 | N21 | C20 | 179.9° | 179.8° |
| C13 | S10 | N09 | H6 | 37.2° | 113.5° |
| N09 | S10 | C13 | N14 | 119.7° | 94.8° |
| N09 | S10 | C13 | N21 | 60.4° | 85.0° |
| S10 | N09 | C04 | C03 | 81.1° | 110.8° |
| S10 | N09 | C04 | H6 | 121.3° | 180.0° |
| S10 | N09 | C04 | C05 | 98.0° | 69.2° |
| C25 | O24 | C16 | N15 | 171.8° | 180.0° |
| C25 | O24 | C16 | C17 | 8.5° | 0.1° |
| O24 | C25 | H11 | H12 | 120.0° | 120.0° |
| O24 | C25 | H11 | H13 | 120.0° | 119.9° |
| O24 | C25 | H12 | H13 | 120.0° | 120.0° |
| O24 | C16 | N15 | N14 | 0.1° | 0.1° |
| O24 | C16 | N15 | C17 | 179.8° | 179.9° |
| O24 | C16 | N15 | C20 | 179.7° | 180.0° |
| O24 | C16 | C17 | C18 | 179.8° | 180.0° |
| O24 | C16 | C17 | H7 | 0.2° | 0.0° |
| C16 | O24 | C25 | H11 | 180.0° | 59.9° |
| C16 | O24 | C25 | H12 | 60.0° | 179.9° |
| C16 | O24 | C25 | H13 | 60.0° | 60.1° |
| C13 | N14 | N15 | C16 | 180.0° | 180.0° |
| C13 | N14 | N15 | C20 | 0.2° | 0.0° |
| N14 | C13 | N21 | C20 | 0.2° | 0.0° |
| N15 | N14 | C13 | N21 | 0.2° | 0.0° |
| N14 | N15 | C16 | C20 | 179.8° | 179.9° |
| N14 | N15 | C16 | C17 | 179.8° | 180.0° |
| N14 | N15 | C20 | N21 | 0.1° | 0.0° |
| N14 | N15 | C20 | N19 | 179.8° | 180.0° |
| C13 | N21 | C20 | N15 | 0.1° | 0.0° |
| C13 | N21 | C20 | N19 | 179.9° | 180.0° |
| C01 | C02 | C03 | C07 | 179.9° | 179.7° |
| C01 | C02 | C03 | C04 | 179.9° | 180.0° |
| C01 | C02 | C07 | C06 | 180.0° | 179.7° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 119.9° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | C02 | C07 | H5 | 0.0° | 0.0° |
| C16 | N15 | C20 | N21 | 179.9° | 180.0° |
| C16 | N15 | C20 | N19 | 0.1° | 0.1° |
| N15 | C16 | C17 | C18 | 0.0° | 0.0° |
| N15 | C16 | C17 | H7 | 180.0° | 180.0° |
| C17 | C16 | N15 | C20 | 0.0° | 0.1° |
| C16 | C17 | C18 | H7 | 180.0° | 180.0° |
| C16 | C17 | C18 | N19 | 0.2° | 0.0° |
| C16 | C17 | C18 | O22 | 179.9° | 180.0° |
| N15 | C20 | N21 | N19 | 179.8° | 180.0° |
| N15 | C20 | N19 | C18 | 0.2° | 0.0° |
| C02 | C03 | C04 | N09 | 179.5° | 180.0° |
| C02 | C03 | C04 | C05 | 0.3° | 0.0° |
| C03 | C02 | C07 | C06 | 0.1° | 0.6° |
| C03 | C02 | C01 | H1 | 89.9° | 89.8° |
| C03 | C02 | C01 | H2 | 150.0° | 30.3° |
| C03 | C02 | C01 | H3 | 30.1° | 150.3° |
| C03 | C02 | C07 | H5 | 179.9° | 179.7° |
| C03 | C04 | N09 | C05 | 179.1° | 180.0° |
| C04 | C03 | C02 | C07 | 0.2° | 0.3° |
| C03 | C04 | C05 | C06 | 0.3° | 0.1° |
| C03 | C04 | C05 | CL | 179.8° | 180.0° |
| C03 | C04 | N09 | H6 | 157.6° | 69.2° |
| N09 | C04 | C05 | C06 | 179.5° | 180.0° |
| N09 | C04 | C05 | CL | 0.7° | 0.1° |
| N21 | C20 | N19 | C18 | 180.0° | 180.0° |
| C02 | C07 | C06 | H5 | 180.0° | 179.7° |
| C02 | C07 | C06 | C05 | 0.1° | 0.6° |
| C07 | C02 | C01 | H1 | 90.0° | 89.9° |
| C07 | C02 | C01 | H2 | 30.0° | 150.0° |
| C07 | C02 | C01 | H3 | 150.0° | 30.0° |
| C02 | C07 | C06 | H4 | 179.9° | 179.7° |
| C20 | N19 | C18 | C17 | 0.3° | 0.0° |
| C20 | N19 | C18 | O22 | 179.8° | 180.0° |
| C17 | C18 | N19 | O22 | 179.9° | 180.0° |
| C17 | C18 | O22 | C23 | 177.1° | 180.0° |
| C04 | C05 | C06 | C07 | 0.2° | 0.3° |
| C04 | C05 | C06 | CL | 179.9° | 179.9° |
| C04 | C05 | C06 | H4 | 179.8° | 180.0° |
| C05 | C04 | N09 | H6 | 23.3° | 110.8° |
| N19 | C18 | O22 | C23 | 2.8° | 0.0° |
| N19 | C18 | C17 | H7 | 179.8° | 180.0° |
| O22 | C18 | C17 | H7 | 0.1° | 0.0° |
| C18 | O22 | C23 | H8 | 180.0° | 60.0° |
| C18 | O22 | C23 | H9 | 60.0° | 60.1° |
| C18 | O22 | C23 | H10 | 60.0° | 180.0° |
| C07 | C06 | C05 | H4 | 180.0° | 179.7° |
| C07 | C06 | C05 | CL | 179.9° | 179.8° |
| C05 | C06 | C07 | H5 | 179.9° | 179.7° |
| CL | C05 | C06 | H4 | 0.1° | 0.1° |
| O22 | C23 | H8 | H9 | 120.0° | 120.0° |
| O22 | C23 | H8 | H10 | 120.0° | 120.0° |
| O22 | C23 | H9 | H10 | 120.0° | 120.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H4 | C06 | C07 | H5 | 0.1° | 0.0° |
| H8 | C23 | H9 | H10 | 120.0° | 120.0° |
| H11 | C25 | H12 | H13 | 120.0° | 120.0° |
