GGY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.53Å | 1.54Å | |
| C02 | C03 | sing | 1.51Å | 1.53Å | |
| C02 | O09 | sing | 1.43Å | 1.44Å | |
| C03 | C04 | doub | 1.31Å | 1.34Å | |
| C04 | C05 | sing | 1.51Å | 1.53Å | |
| C05 | F06 | sing | 1.40Å | 1.37Å | |
| C05 | F07 | sing | 1.40Å | 1.35Å | |
| C05 | F08 | sing | 1.40Å | 1.36Å | |
| O09 | C10 | sing | 1.36Å | 1.37Å | |
| C10 | C11 | sing | 1.38Å | 1.41Å | Aromatic |
| C10 | C31 | doub | 1.40Å | 1.43Å | Aromatic |
| C11 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.48Å | 1.48Å | |
| C12 | C29 | sing | 1.40Å | 1.44Å | Aromatic |
| C13 | C14 | doub | 1.39Å | 1.42Å | Aromatic |
| C13 | C27 | sing | 1.40Å | 1.41Å | Aromatic |
| C14 | C15 | sing | 1.40Å | 1.40Å | Aromatic |
| C15 | C16 | sing | 1.48Å | 1.48Å | |
| C15 | C25 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C17 | doub | 1.35Å | 1.38Å | Aromatic |
| C16 | S24 | sing | 1.76Å | 1.76Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.47Å | Aromatic |
| C18 | C19 | sing | 1.51Å | 1.55Å | |
| C18 | C23 | doub | 1.34Å | 1.35Å | Aromatic |
| C19 | N20 | sing | 1.47Å | 1.54Å | |
| N20 | C21 | sing | 1.47Å | 1.54Å | |
| N20 | C22 | sing | 1.47Å | 1.53Å | |
| C23 | S24 | sing | 1.76Å | 1.73Å | Aromatic |
| C25 | N26 | sing | 1.32Å | 1.33Å | Aromatic |
| N26 | C27 | doub | 1.32Å | 1.36Å | Aromatic |
| C27 | N28 | sing | 1.39Å | 1.39Å | |
| C29 | C30 | doub | 1.36Å | 1.39Å | Aromatic |
| C30 | C31 | sing | 1.40Å | 1.41Å | Aromatic |
| C31 | C32 | sing | 1.47Å | 1.50Å | |
| C32 | N33 | sing | 1.35Å | 1.39Å | |
| C32 | O34 | doub | 1.22Å | 1.21Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C02 | H02 | sing | 1.09Å | 1.10Å | |
| C03 | H03 | sing | 1.08Å | 1.08Å | |
| C04 | H04 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H213 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H223 | sing | 1.09Å | 1.10Å | |
| N28 | H281 | sing | 0.97Å | 1.00Å | |
| N28 | H282 | sing | 0.97Å | 1.00Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| N33 | H331 | sing | 0.97Å | 1.00Å | |
| N33 | H332 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 107.8° | 109.5° |
| C01 | C02 | O09 | 111.6° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.4° |
| C01 | C02 | H02 | 107.7° | 109.5° |
| C03 | C02 | O09 | 112.8° | 109.4° |
| C02 | C03 | C04 | 124.8° | 119.9° |
| C03 | C02 | H02 | 107.8° | 109.5° |
| C02 | C03 | H03 | 117.6° | 120.0° |
| C02 | O09 | C10 | 120.6° | 117.0° |
| O09 | C02 | H02 | 108.9° | 109.4° |
| C03 | C04 | C05 | 125.3° | 120.1° |
| C04 | C03 | H03 | 117.6° | 120.0° |
| C03 | C04 | H04 | 117.4° | 120.0° |
| C04 | C05 | F06 | 114.6° | 109.4° |
| C04 | C05 | F07 | 113.5° | 109.5° |
| C04 | C05 | F08 | 113.7° | 109.5° |
| C05 | C04 | H04 | 117.4° | 120.0° |
| F06 | C05 | F07 | 105.2° | 109.5° |
| F06 | C05 | F08 | 104.8° | 109.4° |
| F07 | C05 | F08 | 103.9° | 109.5° |
| O09 | C10 | C11 | 123.1° | 120.2° |
| O09 | C10 | C31 | 118.7° | 120.2° |
| C11 | C10 | C31 | 118.2° | 119.7° |
| C10 | C11 | C12 | 124.0° | 119.9° |
| C10 | C11 | H11 | 118.0° | 120.1° |
| C10 | C31 | C30 | 118.6° | 119.9° |
| C10 | C31 | C32 | 119.3° | 120.0° |
| C11 | C12 | C13 | 122.7° | 119.9° |
| C11 | C12 | C29 | 116.3° | 120.1° |
| C12 | C11 | H11 | 118.0° | 120.1° |
| C13 | C12 | C29 | 120.9° | 120.0° |
| C12 | C13 | C14 | 122.8° | 120.5° |
| C12 | C13 | C27 | 121.7° | 120.5° |
| C12 | C29 | C30 | 120.7° | 120.3° |
| C12 | C29 | H29 | 119.6° | 119.8° |
| C14 | C13 | C27 | 115.4° | 119.0° |
| C13 | C14 | C15 | 125.9° | 118.2° |
| C13 | C14 | H14 | 117.1° | 120.9° |
| C13 | C27 | N26 | 120.1° | 120.7° |
| C13 | C27 | N28 | 123.2° | 119.7° |
| C14 | C15 | C16 | 128.8° | 120.4° |
| C14 | C15 | C25 | 111.6° | 119.2° |
| C15 | C14 | H14 | 117.1° | 120.9° |
| C16 | C15 | C25 | 119.6° | 120.4° |
| C15 | C16 | C17 | 131.4° | 125.3° |
| C15 | C16 | S24 | 122.5° | 125.3° |
| C15 | C25 | N26 | 126.4° | 120.9° |
| C15 | C25 | H25 | 116.8° | 119.5° |
| C17 | C16 | S24 | 106.1° | 109.5° |
| C16 | C17 | C18 | 117.3° | 114.7° |
| C16 | C17 | H17 | 121.4° | 122.7° |
| C16 | S24 | C23 | 94.5° | 91.0° |
| C17 | C18 | C19 | 124.3° | 122.5° |
| C17 | C18 | C23 | 109.6° | 115.0° |
| C18 | C17 | H17 | 121.3° | 122.6° |
| C19 | C18 | C23 | 126.1° | 122.4° |
| C18 | C19 | N20 | 118.3° | 109.5° |
| C18 | C19 | H191 | 107.2° | 109.5° |
| C18 | C19 | H192 | 107.2° | 109.4° |
| C18 | C23 | S24 | 112.4° | 109.8° |
| C18 | C23 | H23 | 123.8° | 125.1° |
| C19 | N20 | C21 | 111.5° | 111.0° |
| C19 | N20 | C22 | 110.2° | 111.0° |
| N20 | C19 | H191 | 107.2° | 109.5° |
| N20 | C19 | H192 | 107.2° | 109.5° |
| C21 | N20 | C22 | 107.9° | 111.0° |
| N20 | C21 | H211 | 109.5° | 109.5° |
| N20 | C21 | H212 | 109.5° | 109.5° |
| N20 | C21 | H213 | 109.4° | 109.5° |
| N20 | C22 | H221 | 109.5° | 109.5° |
| N20 | C22 | H222 | 109.5° | 109.5° |
| N20 | C22 | H223 | 109.5° | 109.5° |
| S24 | C23 | H23 | 123.8° | 125.1° |
| C25 | N26 | C27 | 120.6° | 121.9° |
| N26 | C25 | H25 | 116.8° | 119.6° |
| N26 | C27 | N28 | 116.7° | 119.6° |
| C27 | N28 | H281 | 109.5° | 120.0° |
| C27 | N28 | H282 | 109.4° | 120.1° |
| C29 | C30 | C31 | 122.2° | 120.2° |
| C30 | C29 | H29 | 119.7° | 119.9° |
| C29 | C30 | H30 | 118.9° | 119.9° |
| C30 | C31 | C32 | 122.1° | 120.1° |
| C31 | C30 | H30 | 118.9° | 119.9° |
| C31 | C32 | N33 | 119.5° | 120.0° |
| C31 | C32 | O34 | 123.9° | 120.0° |
| N33 | C32 | O34 | 116.6° | 120.0° |
| C32 | N33 | H331 | 120.0° | 120.0° |
| C32 | N33 | H332 | 120.0° | 120.0° |
| H011 | C01 | H012 | 109.5° | 109.5° |
| H011 | C01 | H013 | 109.5° | 109.5° |
| H012 | C01 | H013 | 109.4° | 109.5° |
| H191 | C19 | H192 | 109.5° | 109.5° |
| H211 | C21 | H212 | 109.5° | 109.5° |
| H211 | C21 | H213 | 109.5° | 109.4° |
| H212 | C21 | H213 | 109.5° | 109.5° |
| H221 | C22 | H222 | 109.5° | 109.5° |
| H221 | C22 | H223 | 109.4° | 109.5° |
| H222 | C22 | H223 | 109.5° | 109.4° |
| H281 | N28 | H282 | 109.5° | 120.0° |
| H331 | N33 | H332 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | O09 | 123.6° | 120.0° |
| C01 | C02 | C03 | H02 | 116.0° | 120.1° |
| C01 | C02 | O09 | H02 | 118.8° | 120.0° |
| C01 | C02 | C03 | C04 | 104.7° | 115.9° |
| C01 | C02 | O09 | C10 | 159.7° | 84.8° |
| C02 | C01 | H011 | H012 | 120.0° | 120.0° |
| C02 | C01 | H011 | H013 | 120.0° | 120.0° |
| C02 | C01 | H012 | H013 | 120.0° | 120.0° |
| C01 | C02 | C03 | H03 | 75.3° | 64.1° |
| C03 | C02 | O09 | H02 | 119.7° | 120.0° |
| C02 | C03 | C04 | H03 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 27.2° | 5.9° |
| C03 | C02 | O09 | C10 | 78.7° | 155.2° |
| C03 | C02 | C01 | H011 | 180.0° | 60.0° |
| C03 | C02 | C01 | H012 | 60.0° | 180.0° |
| C03 | C02 | C01 | H013 | 60.0° | 60.1° |
| C02 | C03 | C04 | H04 | 152.8° | 174.1° |
| O09 | C02 | C03 | C04 | 131.7° | 124.1° |
| C02 | O09 | C10 | C11 | 28.6° | 5.6° |
| C02 | O09 | C10 | C31 | 151.6° | 174.7° |
| O09 | C02 | C01 | H011 | 55.6° | 60.0° |
| O09 | C02 | C01 | H012 | 175.6° | 60.0° |
| O09 | C02 | C01 | H013 | 64.4° | 180.0° |
| O09 | C02 | C03 | H03 | 48.3° | 55.9° |
| C03 | C04 | C05 | H04 | 180.0° | 180.0° |
| C03 | C04 | C05 | F06 | 159.8° | 55.7° |
| C03 | C04 | C05 | F07 | 79.2° | 175.7° |
| C03 | C04 | C05 | F08 | 39.3° | 64.2° |
| C04 | C03 | C02 | H02 | 11.3° | 4.2° |
| C04 | C05 | F06 | F07 | 125.4° | 120.0° |
| C04 | C05 | F06 | F08 | 125.4° | 119.9° |
| C04 | C05 | F07 | F08 | 124.0° | 120.0° |
| C05 | C04 | C03 | H03 | 152.8° | 174.1° |
| F06 | C05 | F07 | F08 | 109.9° | 120.0° |
| F06 | C05 | C04 | H04 | 20.2° | 124.3° |
| F07 | C05 | C04 | H04 | 100.8° | 4.3° |
| F08 | C05 | C04 | H04 | 140.7° | 115.8° |
| O09 | C10 | C11 | C31 | 179.8° | 179.8° |
| O09 | C10 | C11 | C12 | 179.4° | 180.0° |
| O09 | C10 | C31 | C30 | 179.5° | 179.7° |
| O09 | C10 | C31 | C32 | 0.1° | 0.0° |
| C10 | O09 | C02 | H02 | 41.0° | 35.2° |
| O09 | C10 | C11 | H11 | 0.6° | 0.0° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 178.4° | 179.9° |
| C10 | C11 | C12 | C29 | 1.2° | 0.0° |
| C11 | C10 | C31 | C30 | 0.3° | 0.5° |
| C11 | C10 | C31 | C32 | 179.9° | 179.7° |
| C31 | C10 | C11 | C12 | 0.4° | 0.2° |
| C10 | C31 | C30 | C29 | 1.2° | 0.6° |
| C10 | C31 | C30 | C32 | 179.5° | 179.7° |
| C10 | C31 | C32 | N33 | 26.8° | 180.0° |
| C10 | C31 | C32 | O34 | 153.5° | 0.0° |
| C31 | C10 | C11 | H11 | 179.6° | 179.8° |
| C10 | C31 | C30 | H30 | 178.8° | 179.7° |
| C11 | C12 | C13 | C29 | 177.1° | 180.0° |
| C11 | C12 | C13 | C14 | 50.7° | 130.0° |
| C11 | C12 | C13 | C27 | 132.8° | 50.3° |
| C11 | C12 | C29 | C30 | 2.1° | 0.0° |
| C11 | C12 | C29 | H29 | 177.9° | 179.9° |
| C12 | C13 | C14 | C27 | 176.8° | 179.7° |
| C12 | C13 | C14 | C15 | 177.9° | 180.0° |
| C12 | C13 | C27 | N26 | 178.2° | 179.7° |
| C12 | C13 | C27 | N28 | 3.0° | 0.0° |
| C13 | C12 | C29 | C30 | 179.3° | 180.0° |
| C13 | C12 | C11 | H11 | 1.6° | 0.1° |
| C13 | C12 | C29 | H29 | 0.6° | 0.1° |
| C12 | C13 | C14 | H14 | 2.1° | 0.0° |
| C29 | C12 | C13 | C14 | 126.4° | 49.9° |
| C29 | C12 | C13 | C27 | 50.1° | 129.7° |
| C12 | C29 | C30 | H29 | 180.0° | 179.9° |
| C12 | C29 | C30 | C31 | 2.2° | 0.3° |
| C29 | C12 | C11 | H11 | 178.8° | 180.0° |
| C12 | C29 | C30 | H30 | 177.8° | 180.0° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 179.5° | 180.0° |
| C13 | C14 | C15 | C25 | 0.0° | 0.0° |
| C14 | C13 | C27 | N26 | 1.4° | 0.6° |
| C14 | C13 | C27 | N28 | 179.8° | 179.7° |
| C27 | C13 | C14 | C15 | 1.1° | 0.3° |
| C13 | C27 | N26 | C25 | 0.7° | 0.6° |
| C13 | C27 | N26 | N28 | 178.8° | 179.7° |
| C27 | C13 | C14 | H14 | 178.9° | 179.7° |
| C13 | C27 | N28 | H281 | 178.7° | 0.0° |
| C13 | C27 | N28 | H282 | 58.8° | 180.0° |
| C14 | C15 | C16 | C25 | 179.5° | 180.0° |
| C14 | C15 | C16 | C17 | 177.5° | 180.0° |
| C14 | C15 | C16 | S24 | 0.6° | 0.3° |
| C14 | C15 | C25 | N26 | 0.9° | 0.0° |
| C14 | C15 | C25 | H25 | 179.2° | 180.0° |
| C15 | C16 | C17 | S24 | 178.3° | 179.7° |
| C15 | C16 | C17 | C18 | 179.1° | 179.9° |
| C15 | C16 | S24 | C23 | 179.4° | 180.0° |
| C16 | C15 | C25 | N26 | 178.7° | 179.9° |
| C16 | C15 | C14 | H14 | 0.5° | 0.0° |
| C16 | C15 | C25 | H25 | 1.3° | 0.0° |
| C15 | C16 | C17 | H17 | 0.9° | 0.1° |
| C25 | C15 | C16 | C17 | 2.0° | 0.0° |
| C25 | C15 | C16 | S24 | 179.9° | 179.7° |
| C15 | C25 | N26 | H25 | 180.0° | 180.0° |
| C15 | C25 | N26 | C27 | 0.5° | 0.3° |
| C25 | C15 | C14 | H14 | 180.0° | 180.0° |
| C16 | C17 | C18 | H17 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 178.9° | 180.0° |
| C16 | C17 | C18 | C23 | 0.2° | 0.0° |
| C17 | C16 | S24 | C23 | 0.9° | 0.3° |
| S24 | C16 | C17 | C18 | 0.8° | 0.2° |
| C16 | S24 | C23 | C18 | 0.9° | 0.3° |
| S24 | C16 | C17 | H17 | 179.2° | 179.8° |
| C16 | S24 | C23 | H23 | 179.1° | 179.8° |
| C17 | C18 | C19 | C23 | 179.0° | 180.0° |
| C17 | C18 | C19 | N20 | 27.3° | 90.0° |
| C17 | C18 | C23 | S24 | 0.5° | 0.2° |
| C17 | C18 | C19 | H191 | 93.9° | 149.9° |
| C17 | C18 | C19 | H192 | 148.6° | 30.0° |
| C17 | C18 | C23 | H23 | 179.4° | 179.9° |
| C18 | C19 | N20 | H191 | 121.3° | 120.0° |
| C18 | C19 | N20 | H192 | 121.3° | 120.0° |
| C18 | C19 | N20 | C21 | 157.4° | 66.1° |
| C18 | C19 | N20 | C22 | 82.8° | 170.0° |
| C19 | C18 | C23 | S24 | 179.6° | 179.8° |
| C19 | C18 | C17 | H17 | 1.1° | 0.0° |
| C18 | C19 | H191 | H192 | 116.0° | 119.9° |
| C19 | C18 | C23 | H23 | 0.3° | 0.1° |
| C23 | C18 | C19 | N20 | 151.6° | 90.0° |
| C18 | C23 | S24 | H23 | 180.0° | 179.9° |
| C23 | C18 | C17 | H17 | 179.8° | 180.0° |
| C23 | C18 | C19 | H191 | 87.1° | 30.1° |
| C23 | C18 | C19 | H192 | 30.4° | 150.0° |
| C19 | N20 | C21 | C22 | 121.1° | 124.0° |
| N20 | C19 | H191 | H192 | 116.0° | 120.0° |
| C19 | N20 | C21 | H211 | 180.0° | 60.0° |
| C19 | N20 | C21 | H212 | 60.0° | 180.0° |
| C19 | N20 | C21 | H213 | 60.0° | 60.0° |
| C19 | N20 | C22 | H221 | 180.0° | 60.0° |
| C19 | N20 | C22 | H222 | 60.0° | 180.0° |
| C19 | N20 | C22 | H223 | 60.0° | 60.1° |
| C21 | N20 | C19 | H191 | 36.1° | 54.0° |
| C21 | N20 | C19 | H192 | 81.3° | 174.0° |
| N20 | C21 | H211 | H212 | 120.0° | 120.0° |
| N20 | C21 | H211 | H213 | 120.0° | 120.0° |
| N20 | C21 | H212 | H213 | 120.0° | 120.0° |
| C21 | N20 | C22 | H221 | 58.1° | 176.0° |
| C21 | N20 | C22 | H222 | 62.0° | 56.0° |
| C21 | N20 | C22 | H223 | 178.0° | 64.0° |
| C22 | N20 | C19 | H191 | 155.9° | 70.0° |
| C22 | N20 | C19 | H192 | 38.4° | 50.0° |
| C22 | N20 | C21 | H211 | 58.9° | 64.0° |
| C22 | N20 | C21 | H212 | 178.9° | 56.0° |
| C22 | N20 | C21 | H213 | 61.1° | 176.0° |
| N20 | C22 | H221 | H222 | 120.0° | 120.0° |
| N20 | C22 | H221 | H223 | 120.0° | 120.0° |
| N20 | C22 | H222 | H223 | 120.0° | 120.0° |
| C25 | N26 | C27 | N28 | 179.5° | 179.7° |
| C27 | N26 | C25 | H25 | 179.5° | 179.7° |
| N26 | C27 | N28 | H281 | 0.0° | 179.7° |
| N26 | C27 | N28 | H282 | 120.0° | 0.3° |
| C27 | N28 | H281 | H282 | 120.0° | 180.0° |
| C29 | C30 | C31 | H30 | 180.0° | 179.7° |
| C29 | C30 | C31 | C32 | 179.2° | 179.7° |
| C30 | C31 | C32 | N33 | 153.6° | 0.3° |
| C30 | C31 | C32 | O34 | 26.1° | 179.7° |
| C31 | C30 | C29 | H29 | 177.8° | 179.8° |
| C31 | C32 | N33 | O34 | 179.7° | 180.0° |
| C32 | C31 | C30 | H30 | 0.8° | 0.0° |
| C31 | C32 | N33 | H331 | 179.7° | 0.1° |
| C31 | C32 | N33 | H332 | 0.3° | 180.0° |
| C32 | N33 | H331 | H332 | 180.0° | 179.9° |
| O34 | C32 | N33 | H331 | 0.0° | 180.0° |
| O34 | C32 | N33 | H332 | 180.0° | 0.1° |
| H011 | C01 | H012 | H013 | 120.0° | 120.0° |
| H011 | C01 | C02 | H02 | 63.9° | 179.9° |
| H012 | C01 | C02 | H02 | 56.1° | 59.9° |
| H013 | C01 | C02 | H02 | 176.1° | 60.0° |
| H02 | C02 | C03 | H03 | 168.7° | 175.8° |
| H03 | C03 | C04 | H04 | 27.2° | 5.9° |
| H29 | C29 | C30 | H30 | 2.2° | 0.1° |
| H211 | C21 | H212 | H213 | 120.0° | 119.9° |
| H221 | C22 | H222 | H223 | 120.0° | 120.0° |
