BQX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C08 | sing | 1.53Å | 1.62Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C13 | C12 | sing | 1.53Å | 1.61Å | |
| C13 | N14 | sing | 1.47Å | 1.43Å | |
| C15 | N14 | sing | 1.35Å | 1.50Å | |
| C15 | N16 | sing | 1.35Å | 1.48Å | |
| C15 | O17 | doub | 1.22Å | 1.15Å | |
| C22 | C23 | sing | 1.53Å | 1.55Å | |
| C22 | N21 | sing | 1.46Å | 1.45Å | |
| C24 | C23 | sing | 1.53Å | 1.62Å | |
| C24 | C25 | sing | 1.53Å | 1.50Å | |
| C28 | C27 | doub | 1.41Å | 1.41Å | Aromatic |
| C28 | C34 | sing | 1.41Å | 1.50Å | Aromatic |
| C28 | N29 | sing | 1.35Å | 1.33Å | Aromatic |
| C01 | N02 | sing | 1.34Å | 1.53Å | |
| C01 | N05 | sing | 1.34Å | 1.62Å | |
| C01 | O09 | doub | 1.22Å | 1.19Å | |
| C03 | C06 | sing | 1.54Å | 1.43Å | |
| C03 | N02 | sing | 1.47Å | 1.37Å | |
| C04 | C08 | sing | 1.54Å | 1.66Å | |
| C04 | N05 | sing | 1.47Å | 1.29Å | |
| C06 | S07 | sing | 1.84Å | 1.77Å | |
| C08 | S07 | sing | 1.84Å | 1.51Å | |
| C11 | C12 | sing | 1.53Å | 1.59Å | |
| C25 | N26 | sing | 1.46Å | 1.50Å | |
| C27 | N26 | sing | 1.37Å | 1.33Å | Aromatic |
| C27 | N31 | sing | 1.33Å | 1.34Å | Aromatic |
| C30 | N26 | sing | 1.36Å | 1.33Å | Aromatic |
| C30 | N29 | doub | 1.30Å | 1.35Å | Aromatic |
| C32 | N31 | doub | 1.32Å | 1.40Å | Aromatic |
| C32 | N33 | sing | 1.32Å | 1.37Å | Aromatic |
| C34 | N33 | doub | 1.33Å | 1.31Å | Aromatic |
| C34 | N35 | sing | 1.38Å | 1.43Å | |
| N16 | S18 | sing | 1.66Å | 1.72Å | |
| N21 | S18 | sing | 1.66Å | 1.68Å | |
| O19 | S18 | doub | 1.42Å | 1.49Å | |
| O20 | S18 | doub | 1.42Å | 1.47Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C22 | H5 | sing | 1.09Å | 1.10Å | |
| C22 | H6 | sing | 1.09Å | 1.10Å | |
| C24 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C03 | H9 | sing | 1.09Å | 1.10Å | |
| C04 | H11 | sing | 1.09Å | 1.10Å | |
| C06 | H13 | sing | 1.09Å | 1.10Å | |
| C06 | H14 | sing | 1.09Å | 1.10Å | |
| C08 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C30 | H24 | sing | 1.08Å | 1.08Å | |
| C32 | H25 | sing | 1.08Å | 1.08Å | |
| N02 | H26 | sing | 0.97Å | 1.00Å | |
| N05 | H27 | sing | 0.97Å | 1.00Å | |
| N14 | H28 | sing | 0.97Å | 1.00Å | |
| N16 | H29 | sing | 0.97Å | 1.00Å | |
| N21 | H30 | sing | 0.97Å | 1.00Å | |
| N35 | H31 | sing | 0.97Å | 1.00Å | |
| N35 | H32 | sing | 0.97Å | 1.00Å | |
| C04 | C03 | sing | 1.53Å | 1.70Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C08 | C10 | C11 | 111.1° | 109.5° |
| C10 | C08 | C04 | 108.1° | 110.8° |
| C10 | C08 | S07 | 114.9° | 110.7° |
| C08 | C10 | H1 | 109.1° | 109.5° |
| C08 | C10 | H2 | 109.1° | 109.4° |
| C10 | C08 | H15 | 109.7° | 110.7° |
| C10 | C11 | C12 | 111.1° | 109.5° |
| C11 | C10 | H1 | 109.0° | 109.5° |
| C11 | C10 | H2 | 109.1° | 109.5° |
| C10 | C11 | H16 | 109.1° | 109.5° |
| C10 | C11 | H17 | 109.1° | 109.5° |
| C12 | C13 | N14 | 112.2° | 109.5° |
| C13 | C12 | C11 | 110.9° | 109.5° |
| C12 | C13 | H3 | 108.8° | 109.5° |
| C12 | C13 | H4 | 108.8° | 109.5° |
| C13 | C12 | H18 | 109.1° | 109.5° |
| C13 | C12 | H19 | 109.1° | 109.5° |
| C13 | N14 | C15 | 123.7° | 120.0° |
| N14 | C13 | H3 | 108.8° | 109.5° |
| N14 | C13 | H4 | 108.8° | 109.5° |
| C13 | N14 | H28 | 118.2° | 119.9° |
| N14 | C15 | N16 | 119.5° | 120.0° |
| N14 | C15 | O17 | 122.6° | 120.0° |
| C15 | N14 | H28 | 118.1° | 120.1° |
| N16 | C15 | O17 | 117.9° | 120.0° |
| C15 | N16 | S18 | 112.4° | 120.0° |
| C15 | N16 | H29 | 123.8° | 120.0° |
| C23 | C22 | N21 | 109.0° | 109.5° |
| C22 | C23 | C24 | 109.4° | 109.5° |
| C23 | C22 | H5 | 109.6° | 109.5° |
| C23 | C22 | H6 | 109.6° | 109.4° |
| C22 | C23 | H20 | 109.5° | 109.5° |
| C22 | C23 | H21 | 109.5° | 109.5° |
| C22 | N21 | S18 | 119.4° | 120.0° |
| N21 | C22 | H5 | 109.6° | 109.5° |
| N21 | C22 | H6 | 109.6° | 109.5° |
| C22 | N21 | H30 | 106.9° | 120.0° |
| C23 | C24 | C25 | 112.2° | 109.5° |
| C23 | C24 | H7 | 108.8° | 109.5° |
| C23 | C24 | H8 | 108.8° | 109.5° |
| C24 | C23 | H20 | 109.5° | 109.5° |
| C24 | C23 | H21 | 109.5° | 109.5° |
| C24 | C25 | N26 | 107.7° | 109.5° |
| C25 | C24 | H7 | 108.8° | 109.4° |
| C25 | C24 | H8 | 108.8° | 109.5° |
| C24 | C25 | H22 | 109.9° | 109.5° |
| C24 | C25 | H23 | 109.9° | 109.5° |
| C27 | C28 | C34 | 117.7° | 118.2° |
| C27 | C28 | N29 | 106.6° | 107.1° |
| C28 | C27 | N26 | 107.3° | 106.0° |
| C28 | C27 | N31 | 119.5° | 119.0° |
| C34 | C28 | N29 | 135.7° | 134.7° |
| C28 | C34 | N33 | 119.9° | 118.5° |
| C28 | C34 | N35 | 120.4° | 120.7° |
| C28 | N29 | C30 | 108.4° | 109.4° |
| N02 | C01 | N05 | 106.6° | 113.9° |
| N02 | C01 | O09 | 126.6° | 123.0° |
| C01 | N02 | C03 | 109.0° | 109.0° |
| C01 | N02 | H26 | 125.5° | 125.4° |
| N05 | C01 | O09 | 126.8° | 123.1° |
| C01 | N05 | C04 | 108.2° | 109.0° |
| C01 | N05 | H27 | 125.9° | 125.5° |
| C06 | C03 | N02 | 109.7° | 109.2° |
| C03 | C06 | S07 | 106.5° | 102.7° |
| C06 | C03 | H9 | 112.2° | 110.2° |
| C03 | C06 | H13 | 110.2° | 110.7° |
| C03 | C06 | H14 | 110.2° | 110.8° |
| C06 | C03 | C04 | 105.9° | 112.4° |
| N02 | C03 | H9 | 113.2° | 110.3° |
| C03 | N02 | H26 | 125.5° | 125.5° |
| N02 | C03 | C04 | 107.0° | 104.0° |
| C08 | C04 | N05 | 111.8° | 109.2° |
| C04 | C08 | S07 | 103.6° | 102.7° |
| C08 | C04 | H11 | 109.0° | 110.2° |
| C04 | C08 | H15 | 109.1° | 110.8° |
| C08 | C04 | C03 | 102.9° | 112.4° |
| N05 | C04 | H11 | 114.8° | 110.3° |
| C04 | N05 | H27 | 125.9° | 125.5° |
| N05 | C04 | C03 | 109.2° | 104.1° |
| C06 | S07 | C08 | 97.8° | 94.8° |
| S07 | C06 | H13 | 110.2° | 110.8° |
| S07 | C06 | H14 | 110.2° | 110.8° |
| S07 | C08 | H15 | 111.1° | 110.9° |
| C12 | C11 | H16 | 109.1° | 109.4° |
| C12 | C11 | H17 | 109.0° | 109.5° |
| C11 | C12 | H18 | 109.1° | 109.5° |
| C11 | C12 | H19 | 109.1° | 109.4° |
| C25 | N26 | C27 | 124.5° | 126.2° |
| C25 | N26 | C30 | 126.7° | 126.3° |
| N26 | C25 | H22 | 109.9° | 109.5° |
| N26 | C25 | H23 | 109.9° | 109.4° |
| N26 | C27 | N31 | 133.2° | 134.9° |
| C27 | N26 | C30 | 108.8° | 107.4° |
| C27 | N31 | C32 | 121.1° | 120.6° |
| N26 | C30 | N29 | 108.9° | 110.0° |
| N26 | C30 | H24 | 125.5° | 125.0° |
| N29 | C30 | H24 | 125.5° | 125.0° |
| N31 | C32 | N33 | 121.4° | 122.5° |
| N31 | C32 | H25 | 119.3° | 118.7° |
| C32 | N33 | C34 | 120.4° | 121.2° |
| N33 | C32 | H25 | 119.3° | 118.8° |
| N33 | C34 | N35 | 119.7° | 120.8° |
| C34 | N35 | H31 | 109.5° | 120.0° |
| C34 | N35 | H32 | 109.5° | 120.0° |
| N16 | S18 | N21 | 106.9° | 107.2° |
| N16 | S18 | O19 | 111.8° | 106.4° |
| N16 | S18 | O20 | 111.6° | 106.4° |
| S18 | N16 | H29 | 123.8° | 120.0° |
| N21 | S18 | O19 | 110.1° | 106.4° |
| N21 | S18 | O20 | 111.6° | 106.4° |
| S18 | N21 | H30 | 106.9° | 120.0° |
| O19 | S18 | O20 | 104.9° | 123.2° |
| H1 | C10 | H2 | 109.4° | 109.5° |
| H3 | C13 | H4 | 109.5° | 109.4° |
| H5 | C22 | H6 | 109.5° | 109.5° |
| H7 | C24 | H8 | 109.5° | 109.5° |
| H9 | C03 | C04 | 108.4° | 110.6° |
| H11 | C04 | C03 | 108.6° | 110.5° |
| H13 | C06 | H14 | 109.5° | 110.8° |
| H16 | C11 | H17 | 109.5° | 109.5° |
| H18 | C12 | H19 | 109.5° | 109.5° |
| H20 | C23 | H21 | 109.5° | 109.4° |
| H22 | C25 | H23 | 109.5° | 109.4° |
| H31 | N35 | H32 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C08 | C10 | C11 | H1 | 120.3° | 120.0° |
| C08 | C10 | C11 | H2 | 120.2° | 120.0° |
| C10 | C08 | C04 | S07 | 122.3° | 118.3° |
| C10 | C08 | C04 | H15 | 119.2° | 123.2° |
| C10 | C08 | C04 | N05 | 39.0° | 28.0° |
| C10 | C08 | S07 | C06 | 162.7° | 153.0° |
| C10 | C08 | S07 | H15 | 125.2° | 123.3° |
| C08 | C10 | C11 | C12 | 151.0° | 180.0° |
| C08 | C10 | H1 | H2 | 119.2° | 120.0° |
| C10 | C08 | C04 | H11 | 88.9° | 93.3° |
| C08 | C10 | C11 | H16 | 88.7° | 60.0° |
| C08 | C10 | C11 | H17 | 30.8° | 60.0° |
| C10 | C08 | C04 | C03 | 156.0° | 142.9° |
| C10 | C11 | C12 | C13 | 167.4° | 180.0° |
| C11 | C10 | C08 | C04 | 58.1° | 175.1° |
| C11 | C10 | C08 | S07 | 173.2° | 71.7° |
| C10 | C11 | C12 | H16 | 120.3° | 120.0° |
| C10 | C11 | C12 | H17 | 120.2° | 120.1° |
| C11 | C10 | H1 | H2 | 119.2° | 120.1° |
| C11 | C10 | C08 | H15 | 60.8° | 51.8° |
| C10 | C11 | H16 | H17 | 119.3° | 120.1° |
| C10 | C11 | C12 | H18 | 72.4° | 59.9° |
| C10 | C11 | C12 | H19 | 47.2° | 60.0° |
| C12 | C13 | N14 | H3 | 120.4° | 120.0° |
| C12 | C13 | N14 | H4 | 120.4° | 120.0° |
| C12 | C13 | N14 | C15 | 70.1° | 180.0° |
| C13 | C12 | C11 | H18 | 120.2° | 120.1° |
| C13 | C12 | C11 | H19 | 120.2° | 120.0° |
| C12 | C13 | H3 | H4 | 118.8° | 120.0° |
| C13 | C12 | C11 | H16 | 72.4° | 60.0° |
| C13 | C12 | C11 | H17 | 47.1° | 59.9° |
| C13 | C12 | H18 | H19 | 119.4° | 120.0° |
| C12 | C13 | N14 | H28 | 109.8° | 0.1° |
| C13 | N14 | C15 | H28 | 180.0° | 179.9° |
| C13 | N14 | C15 | N16 | 179.2° | 180.0° |
| C13 | N14 | C15 | O17 | 0.4° | 0.1° |
| N14 | C13 | C12 | C11 | 176.7° | 180.0° |
| N14 | C13 | H3 | H4 | 118.7° | 120.0° |
| N14 | C13 | C12 | H18 | 63.1° | 60.0° |
| N14 | C13 | C12 | H19 | 56.5° | 60.0° |
| N14 | C15 | N16 | O17 | 178.8° | 179.9° |
| N14 | C15 | N16 | S18 | 179.3° | 180.0° |
| C15 | N14 | C13 | H3 | 50.3° | 60.0° |
| C15 | N14 | C13 | H4 | 169.4° | 59.9° |
| N14 | C15 | N16 | H29 | 0.7° | 0.1° |
| C15 | N16 | S18 | H29 | 180.0° | 180.0° |
| C15 | N16 | S18 | N21 | 36.6° | 65.0° |
| C15 | N16 | S18 | O19 | 84.0° | 178.5° |
| C15 | N16 | S18 | O20 | 158.9° | 48.5° |
| N16 | C15 | N14 | H28 | 0.9° | 0.1° |
| O17 | C15 | N16 | S18 | 0.4° | 0.0° |
| O17 | C15 | N14 | H28 | 179.6° | 180.0° |
| O17 | C15 | N16 | H29 | 179.5° | 180.0° |
| C23 | C22 | N21 | H5 | 119.9° | 120.0° |
| C23 | C22 | N21 | H6 | 119.9° | 120.0° |
| C22 | C23 | C24 | H20 | 120.0° | 120.0° |
| C22 | C23 | C24 | H21 | 120.0° | 120.0° |
| C22 | C23 | C24 | C25 | 168.8° | NaN° |
| C23 | C22 | N21 | S18 | 99.2° | 165.0° |
| C23 | C22 | H5 | H6 | 120.2° | 120.0° |
| C22 | C23 | C24 | H7 | 70.8° | 60.0° |
| C22 | C23 | C24 | H8 | 48.4° | 60.0° |
| C22 | C23 | H20 | H21 | 120.0° | 120.0° |
| C23 | C22 | N21 | H30 | 139.4° | 15.0° |
| N21 | C22 | C23 | C24 | 157.9° | 180.0° |
| C22 | N21 | S18 | N16 | 150.3° | 65.0° |
| C22 | N21 | S18 | H30 | 121.4° | 180.0° |
| C22 | N21 | S18 | O19 | 88.1° | 48.5° |
| C22 | N21 | S18 | O20 | 28.0° | 178.5° |
| N21 | C22 | H5 | H6 | 120.2° | 120.1° |
| N21 | C22 | C23 | H20 | 82.1° | 60.0° |
| N21 | C22 | C23 | H21 | 37.9° | 60.0° |
| C23 | C24 | C25 | H7 | 120.4° | 120.0° |
| C23 | C24 | C25 | H8 | 120.4° | 120.0° |
| C23 | C24 | C25 | N26 | 80.6° | 180.0° |
| C24 | C23 | C22 | H5 | 82.1° | 60.0° |
| C24 | C23 | C22 | H6 | 38.0° | 60.0° |
| C23 | C24 | H7 | H8 | 118.8° | 120.0° |
| C24 | C23 | H20 | H21 | 120.0° | 120.0° |
| C23 | C24 | C25 | H22 | 159.7° | 60.0° |
| C23 | C24 | C25 | H23 | 39.2° | 60.0° |
| C24 | C25 | N26 | H22 | 119.8° | 120.1° |
| C24 | C25 | N26 | H23 | 119.7° | 120.0° |
| C24 | C25 | N26 | C27 | 126.8° | 85.0° |
| C24 | C25 | N26 | C30 | 53.0° | 95.0° |
| C25 | C24 | H7 | H8 | 118.8° | 120.0° |
| C25 | C24 | C23 | H20 | 48.8° | 60.0° |
| C25 | C24 | C23 | H21 | 71.2° | 60.0° |
| C24 | C25 | H22 | H23 | 120.8° | 120.0° |
| C27 | C28 | C34 | N29 | 179.7° | 179.8° |
| C28 | C27 | N26 | C25 | 179.9° | 180.0° |
| C28 | C27 | N26 | N31 | 179.4° | 180.0° |
| C28 | C27 | N26 | C30 | 0.0° | 0.0° |
| C27 | C28 | N29 | C30 | 0.4° | 0.4° |
| C28 | C27 | N31 | C32 | 0.5° | 0.0° |
| C27 | C28 | C34 | N33 | 0.0° | 0.1° |
| C27 | C28 | C34 | N35 | 179.9° | 179.9° |
| C34 | C28 | C27 | N26 | 180.0° | 180.0° |
| C34 | C28 | C27 | N31 | 0.5° | 0.1° |
| C34 | C28 | N29 | C30 | 179.9° | 179.8° |
| C28 | C34 | N33 | C32 | 0.4° | 0.0° |
| C28 | C34 | N33 | N35 | 179.9° | 179.9° |
| C28 | C34 | N35 | H31 | 180.0° | 0.1° |
| C28 | C34 | N35 | H32 | 60.1° | 180.0° |
| N29 | C28 | C27 | N26 | 0.2° | 0.2° |
| N29 | C28 | C27 | N31 | 179.7° | 179.8° |
| C28 | N29 | C30 | N26 | 0.4° | 0.4° |
| N29 | C28 | C34 | N33 | 179.7° | 179.7° |
| N29 | C28 | C34 | N35 | 0.2° | 0.2° |
| C28 | N29 | C30 | H24 | 179.6° | 179.9° |
| N02 | C01 | N05 | O09 | 179.5° | 179.8° |
| C01 | N02 | C03 | C06 | 113.1° | 120.2° |
| C01 | N02 | C03 | H26 | 180.0° | 180.0° |
| N02 | C01 | N05 | C04 | 0.3° | 0.1° |
| C01 | N02 | C03 | H9 | 120.8° | 118.6° |
| N02 | C01 | N05 | H27 | 179.7° | 179.9° |
| C01 | N02 | C03 | C04 | 1.4° | 0.0° |
| N05 | C01 | N02 | C03 | 1.2° | 0.0° |
| C01 | N05 | C04 | C08 | 113.6° | 120.2° |
| C01 | N05 | C04 | H27 | 180.0° | 179.9° |
| C01 | N05 | C04 | H11 | 121.6° | 118.6° |
| N05 | C01 | N02 | H26 | 178.8° | 180.0° |
| C01 | N05 | C04 | C03 | 0.5° | 0.1° |
| O09 | C01 | N02 | C03 | 178.3° | 179.7° |
| O09 | C01 | N05 | C04 | 179.2° | 179.7° |
| O09 | C01 | N02 | H26 | 1.7° | 0.3° |
| O09 | C01 | N05 | H27 | 0.8° | 0.2° |
| C06 | C03 | N02 | H9 | 126.1° | 121.3° |
| C06 | C03 | N02 | C04 | 114.5° | 120.2° |
| C06 | C03 | C04 | C08 | 3.1° | 0.1° |
| C06 | C03 | C04 | N05 | 115.7° | 118.0° |
| C03 | C06 | S07 | H13 | 119.5° | 118.3° |
| C03 | C06 | S07 | H14 | 119.5° | 118.3° |
| C03 | C06 | S07 | C08 | 45.9° | 34.7° |
| C06 | C03 | H9 | C04 | 116.6° | 124.9° |
| C06 | C03 | C04 | H11 | 118.5° | 123.6° |
| C03 | C06 | H13 | H14 | 121.4° | 123.3° |
| C06 | C03 | N02 | H26 | 67.0° | 59.8° |
| N02 | C03 | C04 | C08 | 120.1° | 118.0° |
| N02 | C03 | C04 | N05 | 1.3° | 0.0° |
| N02 | C03 | C06 | S07 | 91.1° | 90.3° |
| N02 | C03 | H9 | C04 | 118.6° | 114.5° |
| N02 | C03 | C04 | H11 | 124.5° | 118.4° |
| N02 | C03 | C06 | H13 | 149.3° | 151.4° |
| N02 | C03 | C06 | H14 | 28.4° | 28.0° |
| C08 | C04 | N05 | H11 | 124.7° | 121.2° |
| C08 | C04 | N05 | C03 | 113.1° | 120.3° |
| C04 | C08 | S07 | C06 | 45.0° | 34.7° |
| C04 | C08 | S07 | H15 | 117.1° | 118.4° |
| C04 | C08 | C10 | H1 | 178.3° | 64.9° |
| C04 | C08 | C10 | H2 | 62.2° | 55.0° |
| C08 | C04 | C03 | H9 | 117.4° | 123.6° |
| C08 | C04 | H11 | C03 | 111.3° | 124.8° |
| C08 | C04 | N05 | H27 | 66.4° | 59.7° |
| N05 | C04 | C08 | S07 | 83.3° | 90.3° |
| N05 | C04 | C03 | H9 | 123.7° | 118.3° |
| N05 | C04 | H11 | C03 | 122.5° | 114.5° |
| N05 | C04 | C08 | H15 | 158.2° | 151.2° |
| S07 | C06 | C03 | H9 | 142.2° | 148.4° |
| S07 | C06 | H13 | H14 | 121.3° | 123.4° |
| C06 | S07 | C08 | H15 | 72.1° | 83.7° |
| S07 | C06 | C03 | C04 | 24.1° | 24.6° |
| S07 | C08 | C10 | H1 | 66.5° | 48.3° |
| S07 | C08 | C10 | H2 | 53.0° | 168.3° |
| S07 | C08 | C04 | H11 | 148.8° | 148.4° |
| C08 | S07 | C06 | H13 | 73.7° | 83.6° |
| C08 | S07 | C06 | H14 | 165.4° | 153.0° |
| S07 | C08 | C04 | C03 | 33.7° | 24.7° |
| C12 | C11 | C10 | H1 | 30.7° | 60.0° |
| C12 | C11 | C10 | H2 | 88.7° | 60.0° |
| C11 | C12 | C13 | H3 | 62.9° | 60.0° |
| C11 | C12 | C13 | H4 | 56.3° | 60.0° |
| C12 | C11 | H16 | H17 | 119.2° | 120.0° |
| C11 | C12 | H18 | H19 | 119.4° | 119.9° |
| C25 | N26 | C27 | C30 | 179.9° | 180.0° |
| C25 | N26 | C27 | N31 | 0.5° | 0.0° |
| C25 | N26 | C30 | N29 | 179.8° | 179.8° |
| N26 | C25 | C24 | H7 | 39.9° | 60.0° |
| N26 | C25 | C24 | H8 | 159.1° | 60.0° |
| N26 | C25 | H22 | H23 | 120.8° | 119.9° |
| C25 | N26 | C30 | H24 | 0.2° | 0.1° |
| C27 | N26 | C30 | N29 | 0.3° | 0.3° |
| N26 | C27 | N31 | C32 | 179.9° | 179.9° |
| C27 | N26 | C25 | H22 | 113.4° | 35.1° |
| C27 | N26 | C25 | H23 | 7.1° | 155.0° |
| C27 | N26 | C30 | H24 | 179.7° | 180.0° |
| N31 | C27 | N26 | C30 | 179.4° | 180.0° |
| C27 | N31 | C32 | N33 | 0.1° | 0.1° |
| C27 | N31 | C32 | H25 | 179.9° | 180.0° |
| N26 | C30 | N29 | H24 | 180.0° | 179.7° |
| C30 | N26 | C25 | H22 | 66.7° | 145.0° |
| C30 | N26 | C25 | H23 | 172.7° | 25.0° |
| N31 | C32 | N33 | H25 | 180.0° | 179.8° |
| N31 | C32 | N33 | C34 | 0.4° | 0.1° |
| C32 | N33 | C34 | N35 | 179.6° | 179.8° |
| C34 | N33 | C32 | H25 | 179.6° | 180.0° |
| N33 | C34 | N35 | H31 | 0.0° | 180.0° |
| N33 | C34 | N35 | H32 | 120.0° | 0.1° |
| C34 | N35 | H31 | H32 | 120.0° | 179.9° |
| N16 | S18 | N21 | O19 | 121.6° | 113.5° |
| N16 | S18 | N21 | O20 | 122.3° | 113.5° |
| N16 | S18 | O19 | O20 | 121.1° | 123.0° |
| N16 | S18 | N21 | H30 | 88.3° | 115.0° |
| N21 | S18 | O19 | O20 | 120.2° | 122.9° |
| S18 | N21 | C22 | H5 | 20.7° | 45.0° |
| S18 | N21 | C22 | H6 | 140.9° | 75.0° |
| N21 | S18 | N16 | H29 | 143.4° | 115.0° |
| O19 | S18 | N16 | H29 | 96.0° | 1.5° |
| O19 | S18 | N21 | H30 | 33.3° | 131.5° |
| O20 | S18 | N16 | H29 | 21.1° | 131.5° |
| O20 | S18 | N21 | H30 | 149.4° | 1.4° |
| H1 | C10 | C08 | H15 | 59.5° | 171.8° |
| H1 | C10 | C11 | H16 | 151.0° | 180.0° |
| H1 | C10 | C11 | H17 | 89.5° | 60.0° |
| H2 | C10 | C08 | H15 | 178.9° | 68.3° |
| H2 | C10 | C11 | H16 | 31.5° | 60.0° |
| H2 | C10 | C11 | H17 | 151.0° | 180.0° |
| H3 | C13 | C12 | H18 | 57.3° | 60.0° |
| H3 | C13 | C12 | H19 | 176.9° | 180.0° |
| H3 | C13 | N14 | H28 | 129.7° | 120.1° |
| H4 | C13 | C12 | H18 | 176.5° | 180.0° |
| H4 | C13 | C12 | H19 | 63.9° | 60.0° |
| H4 | C13 | N14 | H28 | 10.6° | 120.0° |
| H5 | C22 | C23 | H20 | 37.9° | 60.0° |
| H5 | C22 | C23 | H21 | 157.9° | 180.0° |
| H5 | C22 | N21 | H30 | 100.7° | 135.0° |
| H6 | C22 | C23 | H20 | 158.0° | 180.0° |
| H6 | C22 | C23 | H21 | 82.0° | 60.0° |
| H6 | C22 | N21 | H30 | 19.5° | 104.9° |
| H7 | C24 | C23 | H20 | 169.1° | 179.9° |
| H7 | C24 | C23 | H21 | 49.2° | 60.0° |
| H7 | C24 | C25 | H22 | 79.9° | 180.0° |
| H7 | C24 | C25 | H23 | 159.6° | 60.0° |
| H8 | C24 | C23 | H20 | 71.6° | 60.0° |
| H8 | C24 | C23 | H21 | 168.4° | 180.0° |
| H8 | C24 | C25 | H22 | 39.3° | 60.0° |
| H8 | C24 | C25 | H23 | 81.2° | NaN° |
| H9 | C03 | C04 | H11 | 2.1° | 0.0° |
| H9 | C03 | C06 | H13 | 22.6° | 30.1° |
| H9 | C03 | C06 | H14 | 98.3° | 93.2° |
| H9 | C03 | N02 | H26 | 59.1° | 61.5° |
| H11 | C04 | C08 | H15 | 30.3° | 29.9° |
| H11 | C04 | N05 | H27 | 58.4° | 61.5° |
| H13 | C06 | C03 | C04 | 95.5° | 93.7° |
| H14 | C06 | C03 | C04 | 143.6° | 142.9° |
| H15 | C08 | C04 | C03 | 84.8° | 93.8° |
| H16 | C11 | C12 | H18 | 47.8° | 60.0° |
| H16 | C11 | C12 | H19 | 167.4° | 180.0° |
| H17 | C11 | C12 | H18 | 167.4° | NaN° |
| H17 | C11 | C12 | H19 | 73.1° | 60.0° |
| H26 | N02 | C03 | C04 | 178.6° | 180.0° |
| H27 | N05 | C04 | C03 | 179.5° | 179.9° |
