H38
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C03 | C02 | doub | 1.34Å | 1.40Å | Aromatic |
| C03 | C04 | sing | 1.38Å | 1.39Å | Aromatic |
| C02 | S01 | sing | 1.71Å | 1.74Å | Aromatic |
| C04 | C05 | doub | 1.36Å | 1.38Å | Aromatic |
| S01 | C05 | sing | 1.76Å | 1.71Å | Aromatic |
| C05 | C06 | sing | 1.47Å | 1.49Å | |
| C06 | N06 | doub | 1.31Å | 1.33Å | |
| C06 | N07 | sing | 1.38Å | 1.34Å | |
| C12 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | N07 | sing | 1.40Å | 1.38Å | |
| C11 | C16 | doub | 1.39Å | 1.40Å | Aromatic |
| C14 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C34 | C33 | doub | 1.38Å | 1.40Å | Aromatic |
| C34 | C35 | sing | 1.39Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | C35 | sing | 1.48Å | 1.48Å | |
| C33 | C32 | sing | 1.38Å | 1.40Å | Aromatic |
| C35 | C36 | doub | 1.39Å | 1.40Å | Aromatic |
| C32 | C31 | doub | 1.39Å | 1.40Å | Aromatic |
| C36 | C31 | sing | 1.39Å | 1.40Å | Aromatic |
| C31 | N27 | sing | 1.40Å | 1.36Å | |
| N27 | C26 | sing | 1.38Å | 1.33Å | |
| C26 | C25 | sing | 1.47Å | 1.49Å | |
| C26 | N26 | doub | 1.31Å | 1.33Å | |
| C25 | C24 | doub | 1.36Å | 1.39Å | Aromatic |
| C25 | S21 | sing | 1.76Å | 1.73Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.40Å | Aromatic |
| S21 | C22 | sing | 1.71Å | 1.74Å | Aromatic |
| C23 | C22 | doub | 1.34Å | 1.40Å | Aromatic |
| N26 | H1 | sing | 0.97Å | 1.00Å | |
| C22 | H2 | sing | 1.08Å | 1.08Å | |
| C23 | H3 | sing | 1.08Å | 1.08Å | |
| C24 | H4 | sing | 1.08Å | 1.08Å | |
| N27 | H5 | sing | 0.97Å | 1.00Å | |
| C36 | H6 | sing | 1.08Å | 1.08Å | |
| C32 | H7 | sing | 1.08Å | 1.08Å | |
| C33 | H8 | sing | 1.08Å | 1.08Å | |
| C34 | H9 | sing | 1.08Å | 1.08Å | |
| C14 | H10 | sing | 1.08Å | 1.08Å | |
| C13 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C16 | H13 | sing | 1.08Å | 1.08Å | |
| N07 | H14 | sing | 0.97Å | 1.00Å | |
| N06 | H15 | sing | 0.97Å | 1.00Å | |
| C02 | H16 | sing | 1.08Å | 1.08Å | |
| C03 | H17 | sing | 1.08Å | 1.08Å | |
| C04 | H18 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | C03 | C04 | 119.1° | 115.1° |
| C03 | C02 | S01 | 104.6° | 110.9° |
| C03 | C02 | H16 | 127.7° | 124.5° |
| C02 | C03 | H17 | 120.4° | 122.4° |
| C03 | C04 | C05 | 109.9° | 113.3° |
| C04 | C03 | H17 | 120.4° | 122.5° |
| C03 | C04 | H18 | 125.0° | 123.3° |
| C02 | S01 | C05 | 95.1° | 91.6° |
| S01 | C02 | H16 | 127.7° | 124.5° |
| C04 | C05 | S01 | 111.2° | 109.1° |
| C04 | C05 | C06 | 136.3° | 125.4° |
| C05 | C04 | H18 | 125.0° | 123.4° |
| S01 | C05 | C06 | 112.4° | 125.4° |
| C05 | C06 | N06 | 120.5° | 120.0° |
| C05 | C06 | N07 | 117.1° | 120.0° |
| N06 | C06 | N07 | 122.3° | 120.0° |
| C06 | N06 | H15 | 112.0° | 120.0° |
| C06 | N07 | C11 | 123.2° | 120.0° |
| C06 | N07 | H14 | 118.4° | 120.0° |
| C13 | C12 | C11 | 121.2° | 120.2° |
| C12 | C13 | C14 | 120.2° | 120.2° |
| C12 | C13 | H11 | 119.9° | 119.9° |
| C13 | C12 | H12 | 119.4° | 120.0° |
| C12 | C11 | N07 | 121.4° | 120.0° |
| C12 | C11 | C16 | 118.4° | 119.9° |
| C11 | C12 | H12 | 119.4° | 119.8° |
| C13 | C14 | C15 | 118.3° | 120.0° |
| C13 | C14 | H10 | 120.8° | 120.0° |
| C14 | C13 | H11 | 119.9° | 120.0° |
| N07 | C11 | C16 | 120.2° | 120.0° |
| C11 | N07 | H14 | 118.4° | 120.0° |
| C11 | C16 | C15 | 120.0° | 119.8° |
| C11 | C16 | H13 | 120.0° | 120.1° |
| C14 | C15 | C16 | 121.8° | 119.9° |
| C14 | C15 | C35 | 118.8° | 120.1° |
| C15 | C14 | H10 | 120.8° | 120.0° |
| C33 | C34 | C35 | 120.6° | 120.0° |
| C34 | C33 | C32 | 119.2° | 120.2° |
| C34 | C33 | H8 | 120.4° | 119.9° |
| C33 | C34 | H9 | 119.7° | 120.0° |
| C34 | C35 | C15 | 119.5° | 120.1° |
| C34 | C35 | C36 | 120.4° | 119.8° |
| C35 | C34 | H9 | 119.7° | 120.0° |
| C16 | C15 | C35 | 119.4° | 120.1° |
| C15 | C16 | H13 | 120.0° | 120.1° |
| C15 | C35 | C36 | 120.1° | 120.1° |
| C33 | C32 | C31 | 120.4° | 120.2° |
| C33 | C32 | H7 | 119.8° | 119.9° |
| C32 | C33 | H8 | 120.4° | 119.9° |
| C35 | C36 | C31 | 119.2° | 119.8° |
| C35 | C36 | H6 | 120.4° | 120.1° |
| C32 | C31 | C36 | 120.2° | 119.9° |
| C32 | C31 | N27 | 120.8° | 120.1° |
| C31 | C32 | H7 | 119.8° | 119.9° |
| C36 | C31 | N27 | 118.9° | 120.0° |
| C31 | C36 | H6 | 120.4° | 120.1° |
| C31 | N27 | C26 | 127.4° | 120.0° |
| C31 | N27 | H5 | 116.3° | 120.0° |
| N27 | C26 | C25 | 117.5° | 120.0° |
| N27 | C26 | N26 | 122.4° | 120.0° |
| C26 | N27 | H5 | 116.3° | 120.0° |
| C25 | C26 | N26 | 120.2° | 120.0° |
| C26 | C25 | C24 | 133.5° | 125.5° |
| C26 | C25 | S21 | 117.3° | 125.4° |
| C26 | N26 | H1 | 112.0° | 120.0° |
| C24 | C25 | S21 | 109.2° | 109.1° |
| C25 | C24 | C23 | 112.7° | 113.3° |
| C25 | C24 | H4 | 123.6° | 123.3° |
| C25 | S21 | C22 | 95.1° | 91.6° |
| C24 | C23 | C22 | 116.1° | 115.1° |
| C24 | C23 | H3 | 121.9° | 122.4° |
| C23 | C24 | H4 | 123.7° | 123.4° |
| S21 | C22 | C23 | 107.0° | 110.9° |
| S21 | C22 | H2 | 126.5° | 124.5° |
| C23 | C22 | H2 | 126.5° | 124.5° |
| C22 | C23 | H3 | 121.9° | 122.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | C03 | C04 | H17 | 180.0° | 179.6° |
| C03 | C02 | S01 | H16 | 180.0° | 179.9° |
| C02 | C03 | C04 | C05 | 0.5° | 0.6° |
| C03 | C02 | S01 | C05 | 0.8° | 0.1° |
| C02 | C03 | C04 | H18 | 179.5° | 180.0° |
| C04 | C03 | C02 | S01 | 0.3° | 0.4° |
| C03 | C04 | C05 | H18 | 180.0° | 179.5° |
| C03 | C04 | C05 | S01 | 1.1° | 0.5° |
| C03 | C04 | C05 | C06 | 176.7° | 179.8° |
| C04 | C03 | C02 | H16 | 179.7° | 179.7° |
| C02 | S01 | C05 | C04 | 1.2° | 0.2° |
| C02 | S01 | C05 | C06 | 177.9° | 180.0° |
| S01 | C02 | C03 | H17 | 179.7° | 180.0° |
| C04 | C05 | S01 | C06 | 176.7° | 179.8° |
| C04 | C05 | C06 | N06 | 146.4° | 0.3° |
| C04 | C05 | C06 | N07 | 34.4° | 179.8° |
| C05 | C04 | C03 | H17 | 179.5° | 179.8° |
| S01 | C05 | C06 | N06 | 38.0° | 180.0° |
| S01 | C05 | C06 | N07 | 141.1° | 0.0° |
| C05 | S01 | C02 | H16 | 179.2° | 180.0° |
| S01 | C05 | C04 | H18 | 178.9° | 179.9° |
| C05 | C06 | N06 | N07 | 179.1° | 180.0° |
| C05 | C06 | N07 | C11 | 21.6° | 174.0° |
| C05 | C06 | N07 | H14 | 158.3° | 6.0° |
| C05 | C06 | N06 | H15 | 179.1° | 172.1° |
| C06 | C05 | C04 | H18 | 3.3° | 0.3° |
| N06 | C06 | N07 | C11 | 157.5° | 6.1° |
| N06 | C06 | N07 | H14 | 22.6° | 174.0° |
| C06 | N07 | C11 | C12 | 36.8° | 137.7° |
| C06 | N07 | C11 | H14 | 180.0° | 180.0° |
| C06 | N07 | C11 | C16 | 142.9° | 42.6° |
| N07 | C06 | N06 | H15 | 0.0° | 7.8° |
| C13 | C12 | C11 | H12 | 180.0° | 179.9° |
| C12 | C13 | C14 | H11 | 180.0° | 180.0° |
| C13 | C12 | C11 | N07 | 179.3° | 179.9° |
| C13 | C12 | C11 | C16 | 1.0° | 0.4° |
| C12 | C13 | C14 | C15 | 1.1° | 0.0° |
| C12 | C13 | C14 | H10 | 178.9° | 180.0° |
| C11 | C12 | C13 | C14 | 0.3° | 0.0° |
| C12 | C11 | N07 | C16 | 179.7° | 179.7° |
| C12 | C11 | C16 | C15 | 1.5° | 0.7° |
| C11 | C12 | C13 | H11 | 179.7° | 179.9° |
| C12 | C11 | C16 | H13 | 178.6° | 179.7° |
| C12 | C11 | N07 | H14 | 143.2° | 42.4° |
| C13 | C14 | C15 | H10 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.6° | 0.3° |
| C13 | C14 | C15 | C35 | 179.3° | 180.0° |
| C14 | C13 | C12 | H12 | 179.7° | 179.9° |
| N07 | C11 | C16 | C15 | 178.8° | 179.6° |
| N07 | C11 | C12 | H12 | 0.7° | 0.0° |
| N07 | C11 | C16 | H13 | 1.2° | 0.0° |
| C11 | C16 | C15 | C14 | 0.7° | 0.6° |
| C11 | C16 | C15 | H13 | 180.0° | 179.7° |
| C11 | C16 | C15 | C35 | 179.4° | 179.7° |
| C16 | C11 | C12 | H12 | 179.0° | 179.7° |
| C16 | C11 | N07 | H14 | 37.1° | 137.3° |
| C14 | C15 | C35 | C34 | 145.4° | 180.0° |
| C14 | C15 | C16 | C35 | 180.0° | 179.7° |
| C14 | C15 | C35 | C36 | 35.2° | 0.2° |
| C15 | C14 | C13 | H11 | 178.9° | 180.0° |
| C14 | C15 | C16 | H13 | 179.4° | 179.7° |
| C33 | C34 | C35 | H9 | 180.0° | 179.7° |
| C33 | C34 | C35 | C15 | 179.9° | 180.0° |
| C34 | C33 | C32 | H8 | 180.0° | 180.0° |
| C33 | C34 | C35 | C36 | 0.5° | 0.3° |
| C34 | C33 | C32 | C31 | 1.0° | 0.0° |
| C34 | C33 | C32 | H7 | 178.9° | 180.0° |
| C34 | C35 | C15 | C16 | 34.6° | 0.3° |
| C34 | C35 | C15 | C36 | 179.4° | 179.7° |
| C35 | C34 | C33 | C32 | 0.0° | 0.3° |
| C34 | C35 | C36 | C31 | 0.1° | 0.0° |
| C34 | C35 | C36 | H6 | 179.9° | 180.0° |
| C35 | C34 | C33 | H8 | 180.0° | 179.7° |
| C16 | C15 | C35 | C36 | 144.9° | 180.0° |
| C16 | C15 | C14 | H10 | 179.4° | 179.7° |
| C15 | C35 | C36 | C31 | 179.3° | 179.7° |
| C15 | C35 | C36 | H6 | 0.7° | 0.2° |
| C15 | C35 | C34 | H9 | 0.1° | 0.3° |
| C35 | C15 | C14 | H10 | 0.7° | 0.0° |
| C35 | C15 | C16 | H13 | 0.6° | 0.0° |
| C33 | C32 | C31 | H7 | 180.0° | 180.0° |
| C33 | C32 | C31 | C36 | 1.6° | 0.3° |
| C33 | C32 | C31 | N27 | 178.9° | 180.0° |
| C32 | C33 | C34 | H9 | 180.0° | 180.0° |
| C35 | C36 | C31 | C32 | 1.2° | 0.3° |
| C35 | C36 | C31 | H6 | 180.0° | 179.9° |
| C35 | C36 | C31 | N27 | 178.5° | 180.0° |
| C36 | C35 | C34 | H9 | 179.5° | 180.0° |
| C32 | C31 | C36 | N27 | 177.3° | 179.7° |
| C32 | C31 | N27 | C26 | 61.6° | 38.0° |
| C32 | C31 | N27 | H5 | 118.4° | 142.0° |
| C32 | C31 | C36 | H6 | 178.8° | 179.8° |
| C31 | C32 | C33 | H8 | 178.9° | 180.0° |
| C36 | C31 | N27 | C26 | 121.1° | 142.3° |
| C36 | C31 | N27 | H5 | 59.0° | 37.6° |
| C36 | C31 | C32 | H7 | 178.4° | 179.7° |
| C31 | N27 | C26 | H5 | 180.0° | 179.9° |
| C31 | N27 | C26 | C25 | 175.2° | 172.8° |
| C31 | N27 | C26 | N26 | 5.9° | 7.2° |
| N27 | C31 | C36 | H6 | 1.5° | 0.1° |
| N27 | C31 | C32 | H7 | 1.1° | 0.1° |
| N27 | C26 | C25 | N26 | 178.9° | 180.0° |
| N27 | C26 | C25 | C24 | 53.3° | 180.0° |
| N27 | C26 | C25 | S21 | 127.6° | 0.3° |
| N27 | C26 | N26 | H1 | 178.9° | 179.9° |
| C26 | C25 | C24 | S21 | 179.2° | 179.7° |
| C26 | C25 | C24 | C23 | 179.1° | 179.8° |
| C26 | C25 | S21 | C22 | 179.5° | 180.0° |
| C25 | C26 | N26 | H1 | 0.0° | 0.0° |
| C26 | C25 | C24 | H4 | 0.8° | 0.0° |
| C25 | C26 | N27 | H5 | 4.8° | 7.3° |
| N26 | C26 | C25 | C24 | 125.6° | 0.0° |
| N26 | C26 | C25 | S21 | 53.5° | 179.7° |
| N26 | C26 | N27 | H5 | 174.2° | 172.8° |
| C25 | C24 | C23 | H4 | 180.0° | 179.7° |
| C24 | C25 | S21 | C22 | 0.2° | 0.3° |
| C25 | C24 | C23 | C22 | 0.4° | 0.5° |
| C25 | C24 | C23 | H3 | 179.6° | 179.8° |
| S21 | C25 | C24 | C23 | 0.0° | 0.5° |
| C25 | S21 | C22 | C23 | 0.4° | 0.0° |
| C25 | S21 | C22 | H2 | 179.7° | 180.0° |
| S21 | C25 | C24 | H4 | 180.0° | 179.7° |
| C24 | C23 | C22 | S21 | 0.5° | 0.3° |
| C24 | C23 | C22 | H3 | 180.0° | 179.7° |
| C24 | C23 | C22 | H2 | 179.5° | 179.7° |
| S21 | C22 | C23 | H2 | 180.0° | 180.0° |
| S21 | C22 | C23 | H3 | 179.5° | 180.0° |
| C22 | C23 | C24 | H4 | 179.7° | 179.7° |
| H2 | C22 | C23 | H3 | 0.5° | 0.0° |
| H3 | C23 | C24 | H4 | 0.3° | 0.0° |
| H7 | C32 | C33 | H8 | 1.1° | 0.0° |
| H8 | C33 | C34 | H9 | 0.0° | 0.0° |
| H10 | C14 | C13 | H11 | 1.1° | 0.0° |
| H11 | C13 | C12 | H12 | 0.4° | 0.0° |
| H16 | C02 | C03 | H17 | 0.3° | 0.1° |
| H17 | C03 | C04 | H18 | 0.5° | 0.3° |
