GRJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O13 | C3 | sing | 1.43Å | 1.43Å | |
| O12 | C4 | sing | 1.43Å | 1.43Å | |
| C3 | C4 | sing | 1.55Å | 1.52Å | |
| C3 | C2 | sing | 1.54Å | 1.52Å | |
| C4 | C5 | sing | 1.55Å | 1.52Å | |
| O14 | C1 | sing | 1.43Å | 1.43Å | |
| O3 | P | doub | 1.48Å | 1.61Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | C | sing | 1.53Å | 1.53Å | |
| C2 | O | sing | 1.45Å | 1.43Å | |
| C5 | O | sing | 1.44Å | 1.43Å | |
| C5 | O1 | sing | 1.43Å | 1.43Å | |
| O1 | P | sing | 1.61Å | 1.61Å | |
| P | O2 | sing | 1.61Å | 1.48Å | |
| P | O4 | sing | 1.61Å | 1.61Å | |
| O4 | P1 | sing | 1.61Å | 1.61Å | |
| P1 | O6 | doub | 1.48Å | 1.61Å | |
| P1 | O7 | sing | 1.61Å | 1.61Å | |
| P1 | O5 | sing | 1.61Å | 1.48Å | |
| C6 | O7 | sing | 1.43Å | 1.43Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| O8 | C7 | sing | 1.44Å | 1.43Å | |
| O8 | C10 | sing | 1.44Å | 1.43Å | |
| C7 | C8 | sing | 1.55Å | 1.52Å | |
| C11 | N1 | doub | 1.30Å | 1.36Å | Aromatic |
| C11 | N | sing | 1.36Å | 1.35Å | Aromatic |
| N1 | C12 | sing | 1.36Å | 1.35Å | Aromatic |
| C8 | C9 | sing | 1.55Å | 1.51Å | |
| C8 | O11 | sing | 1.43Å | 1.43Å | |
| N | C10 | sing | 1.47Å | 1.49Å | |
| N | C13 | sing | 1.37Å | 1.33Å | Aromatic |
| C10 | C9 | sing | 1.54Å | 1.52Å | |
| C12 | C13 | doub | 1.41Å | 1.47Å | Aromatic |
| C12 | C15 | sing | 1.40Å | 1.48Å | Aromatic |
| C13 | N2 | sing | 1.33Å | 1.35Å | Aromatic |
| O9 | C15 | sing | 1.35Å | 1.25Å | |
| C9 | O10 | sing | 1.43Å | 1.43Å | |
| C15 | N3 | doub | 1.33Å | 1.34Å | Aromatic |
| N2 | C14 | doub | 1.32Å | 1.36Å | Aromatic |
| N3 | C14 | sing | 1.33Å | 1.35Å | Aromatic |
| C14 | N4 | sing | 1.38Å | 1.36Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C | H8 | sing | 1.09Å | 1.10Å | |
| C | H9 | sing | 1.09Å | 1.10Å | |
| C | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.08Å | 1.08Å | |
| C2 | H13 | sing | 1.09Å | 1.10Å | |
| C3 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| N4 | H17 | sing | 0.97Å | 1.00Å | |
| N4 | H18 | sing | 0.97Å | 1.00Å | |
| O10 | H19 | sing | 0.97Å | 0.95Å | |
| O11 | H20 | sing | 0.97Å | 0.95Å | |
| O12 | H21 | sing | 0.97Å | 0.95Å | |
| O13 | H22 | sing | 0.97Å | 0.95Å | |
| O14 | H23 | sing | 0.97Å | 0.95Å | |
| O2 | H24 | sing | 0.97Å | 0.95Å | |
| O5 | H25 | sing | 0.97Å | 0.95Å | |
| O9 | H16 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O13 | C3 | C4 | 110.4° | 110.5° |
| O13 | C3 | C2 | 109.4° | 110.5° |
| O13 | C3 | H14 | 111.3° | 110.6° |
| C3 | O13 | H22 | 109.5° | 114.0° |
| O12 | C4 | C3 | 110.2° | 110.6° |
| O12 | C4 | C5 | 110.2° | 110.5° |
| O12 | C4 | H1 | 111.5° | 110.5° |
| C4 | O12 | H21 | 109.5° | 113.9° |
| C4 | C3 | C2 | 105.6° | 104.1° |
| C3 | C4 | C5 | 104.5° | 104.0° |
| C3 | C4 | H1 | 110.2° | 110.5° |
| C4 | C3 | H14 | 110.0° | 110.5° |
| C3 | C2 | C1 | 111.8° | 110.4° |
| C3 | C2 | O | 106.4° | 104.8° |
| C3 | C2 | H13 | 108.8° | 110.6° |
| C2 | C3 | H14 | 110.0° | 110.6° |
| C4 | C5 | O | 105.3° | 104.8° |
| C4 | C5 | O1 | 113.0° | 110.3° |
| C5 | C4 | H1 | 110.1° | 110.5° |
| C4 | C5 | H2 | 107.6° | 110.4° |
| O14 | C1 | C2 | 109.6° | 109.5° |
| O14 | C1 | C | 109.9° | 109.5° |
| O14 | C1 | H11 | 109.4° | 109.4° |
| C1 | O14 | H23 | 109.5° | 114.0° |
| O3 | P | O1 | 109.5° | 109.5° |
| O3 | P | O2 | 109.2° | 109.5° |
| O3 | P | O4 | 110.0° | 109.4° |
| C2 | C1 | C | 111.6° | 109.5° |
| C1 | C2 | O | 111.0° | 110.3° |
| C2 | C1 | H11 | 108.2° | 109.4° |
| C1 | C2 | H13 | 108.7° | 110.3° |
| C1 | C | H8 | 109.5° | 109.5° |
| C1 | C | H9 | 109.5° | 109.4° |
| C1 | C | H10 | 109.5° | 109.4° |
| C | C1 | H11 | 108.2° | 109.5° |
| C2 | O | C5 | 108.1° | 105.3° |
| O | C2 | H13 | 110.0° | 110.3° |
| O | C5 | O1 | 113.3° | 110.4° |
| O | C5 | H2 | 108.7° | 110.4° |
| C5 | O1 | P | 123.4° | 123.0° |
| O1 | C5 | H2 | 108.7° | 110.4° |
| O1 | P | O2 | 110.1° | 109.5° |
| O1 | P | O4 | 109.1° | 109.5° |
| O2 | P | O4 | 108.9° | 109.5° |
| P | O2 | H24 | 109.5° | 114.0° |
| P | O4 | P1 | 120.7° | 134.1° |
| O4 | P1 | O6 | 109.9° | 109.4° |
| O4 | P1 | O7 | 109.0° | 109.5° |
| O4 | P1 | O5 | 109.7° | 109.4° |
| O6 | P1 | O7 | 109.6° | 109.5° |
| O6 | P1 | O5 | 109.0° | 109.5° |
| O7 | P1 | O5 | 109.6° | 109.5° |
| P1 | O7 | C6 | 121.0° | 123.0° |
| P1 | O5 | H25 | 109.5° | 114.0° |
| O7 | C6 | C7 | 109.1° | 109.5° |
| O7 | C6 | H3 | 109.6° | 109.4° |
| O7 | C6 | H4 | 109.6° | 109.5° |
| C6 | C7 | O8 | 110.8° | 110.4° |
| C6 | C7 | C8 | 110.8° | 110.4° |
| C7 | C6 | H3 | 109.5° | 109.5° |
| C7 | C6 | H4 | 109.6° | 109.5° |
| C6 | C7 | H5 | 109.1° | 110.3° |
| C7 | O8 | C10 | 109.0° | 105.3° |
| O8 | C7 | C8 | 106.8° | 104.8° |
| O8 | C7 | H5 | 110.3° | 110.5° |
| O8 | C10 | N | 111.1° | 110.4° |
| O8 | C10 | C9 | 104.7° | 104.8° |
| O8 | C10 | H7 | 110.2° | 110.4° |
| C7 | C8 | C9 | 105.1° | 104.1° |
| C7 | C8 | O11 | 110.0° | 110.5° |
| C8 | C7 | H5 | 109.1° | 110.3° |
| C7 | C8 | H6 | 110.1° | 110.5° |
| N1 | C11 | N | 111.0° | 109.9° |
| C11 | N1 | C12 | 107.5° | 109.5° |
| N1 | C11 | H12 | 124.5° | 125.0° |
| C11 | N | C10 | 126.4° | 126.3° |
| C11 | N | C13 | 108.5° | 107.5° |
| N | C11 | H12 | 124.5° | 125.0° |
| N1 | C12 | C13 | 106.6° | 107.1° |
| N1 | C12 | C15 | 136.3° | 134.6° |
| C9 | C8 | O11 | 109.8° | 110.5° |
| C8 | C9 | C10 | 103.1° | 104.1° |
| C8 | C9 | O10 | 110.4° | 110.5° |
| C9 | C8 | H6 | 110.2° | 110.5° |
| C8 | C9 | H15 | 110.0° | 110.5° |
| O11 | C8 | H6 | 111.5° | 110.6° |
| C8 | O11 | H20 | 109.5° | 114.0° |
| C10 | N | C13 | 125.1° | 126.3° |
| N | C10 | C9 | 112.2° | 110.4° |
| N | C10 | H7 | 109.5° | 110.3° |
| N | C13 | C12 | 106.4° | 106.0° |
| N | C13 | N2 | 134.9° | 134.9° |
| C10 | C9 | O10 | 111.8° | 110.5° |
| C9 | C10 | H7 | 109.0° | 110.4° |
| C10 | C9 | H15 | 109.9° | 110.5° |
| C13 | C12 | C15 | 117.1° | 118.3° |
| C12 | C13 | N2 | 118.7° | 119.1° |
| C12 | C15 | O9 | 120.9° | 120.7° |
| C12 | C15 | N3 | 118.1° | 118.6° |
| C13 | N2 | C14 | 121.0° | 120.6° |
| O9 | C15 | N3 | 121.0° | 120.7° |
| C15 | O9 | H16 | 109.5° | 114.0° |
| O10 | C9 | H15 | 111.2° | 110.6° |
| C9 | O10 | H19 | 109.5° | 114.0° |
| C15 | N3 | C14 | 122.3° | 121.2° |
| N2 | C14 | N3 | 122.8° | 122.2° |
| N2 | C14 | N4 | 118.5° | 118.9° |
| N3 | C14 | N4 | 118.7° | 118.9° |
| C14 | N4 | H17 | 109.5° | 120.0° |
| C14 | N4 | H18 | 109.4° | 120.0° |
| H3 | C6 | H4 | 109.5° | 109.5° |
| H8 | C | H9 | 109.5° | 109.5° |
| H8 | C | H10 | 109.4° | 109.5° |
| H9 | C | H10 | 109.5° | 109.5° |
| H17 | N4 | H18 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O13 | C3 | C4 | O12 | 132.4° | 122.7° |
| O13 | C3 | C4 | C2 | 118.2° | 118.6° |
| O13 | C3 | C4 | H14 | 123.2° | 122.7° |
| O13 | C3 | C2 | H14 | 122.6° | 122.8° |
| O13 | C3 | C4 | C5 | 109.3° | 118.6° |
| O13 | C3 | C2 | C1 | 109.4° | 98.6° |
| O13 | C3 | C2 | O | 129.3° | 142.6° |
| O13 | C3 | C4 | H1 | 9.0° | 0.0° |
| O13 | C3 | C2 | H13 | 10.8° | 23.7° |
| O12 | C4 | C3 | C5 | 118.4° | 118.7° |
| O12 | C4 | C3 | H1 | 123.4° | 122.7° |
| O12 | C4 | C3 | C2 | 109.5° | 118.7° |
| O12 | C4 | C5 | H1 | 123.4° | 122.6° |
| O12 | C4 | C5 | O | 93.0° | 94.8° |
| O12 | C4 | C5 | O1 | 31.2° | 24.1° |
| O12 | C4 | C5 | H2 | 151.1° | 146.4° |
| O12 | C4 | C3 | H14 | 9.1° | 0.0° |
| C4 | C3 | C2 | H14 | 118.6° | 118.7° |
| C3 | C4 | C5 | H1 | 118.3° | 118.6° |
| C4 | C3 | C2 | C1 | 131.8° | 142.8° |
| C4 | C3 | C2 | O | 10.5° | 24.0° |
| C3 | C4 | C5 | O | 25.3° | 24.0° |
| C3 | C4 | C5 | O1 | 149.5° | 142.8° |
| C3 | C4 | C5 | H2 | 90.6° | 94.9° |
| C4 | C3 | C2 | H13 | 108.0° | 94.9° |
| C3 | C4 | O12 | H21 | 94.0° | 176.2° |
| C4 | C3 | O13 | H22 | 180.0° | 61.5° |
| C2 | C3 | C4 | C5 | 8.9° | 0.0° |
| C3 | C2 | C1 | O14 | 82.9° | 51.8° |
| C3 | C2 | C1 | O | 118.6° | 115.4° |
| C3 | C2 | C1 | H13 | 120.2° | 122.5° |
| C3 | C2 | C1 | C | 155.1° | 171.8° |
| C3 | C2 | O | H13 | 117.7° | 119.0° |
| C3 | C2 | O | C5 | 27.5° | 40.5° |
| C2 | C3 | C4 | H1 | 127.2° | 118.6° |
| C3 | C2 | C1 | H11 | 36.3° | 68.2° |
| C2 | C3 | O13 | H22 | 64.3° | 176.1° |
| C4 | C5 | O | C2 | 33.3° | 40.5° |
| C4 | C5 | O | O1 | 123.9° | 118.8° |
| C4 | C5 | O | H2 | 115.1° | 118.8° |
| C4 | C5 | O1 | H2 | 119.4° | 122.3° |
| C4 | C5 | O1 | P | 90.1° | 150.0° |
| C5 | C4 | C3 | H14 | 127.5° | 118.7° |
| C5 | C4 | O12 | H21 | 20.7° | 61.5° |
| O14 | C1 | C2 | C | 121.9° | 120.0° |
| O14 | C1 | C2 | H11 | 119.2° | 119.9° |
| O14 | C1 | C | H11 | 119.4° | 120.0° |
| O14 | C1 | C2 | O | 35.7° | 63.6° |
| O14 | C1 | C | H8 | 180.0° | 180.0° |
| O14 | C1 | C | H9 | 60.0° | 60.0° |
| O14 | C1 | C | H10 | 60.0° | 60.0° |
| O14 | C1 | C2 | H13 | 156.8° | 174.2° |
| O3 | P | O1 | C5 | 54.7° | 55.0° |
| O3 | P | O1 | O2 | 120.0° | 120.0° |
| O3 | P | O1 | O4 | 120.5° | 120.0° |
| O3 | P | O2 | O4 | 120.2° | 120.0° |
| O3 | P | O4 | P1 | 169.2° | 45.0° |
| O3 | P | O2 | H24 | 0.0° | 180.0° |
| C2 | C1 | C | H11 | 118.8° | 120.0° |
| C1 | C2 | O | H13 | 120.4° | 122.2° |
| C1 | C2 | O | C5 | 149.4° | 159.3° |
| C2 | C1 | C | H8 | 58.2° | 60.0° |
| C2 | C1 | C | H9 | 178.2° | 180.0° |
| C2 | C1 | C | H10 | 61.8° | 60.0° |
| C1 | C2 | C3 | H14 | 13.2° | 24.1° |
| C2 | C1 | O14 | H23 | 180.0° | 60.1° |
| C | C1 | C2 | O | 86.3° | 56.4° |
| C1 | C | H8 | H9 | 120.0° | 120.0° |
| C1 | C | H8 | H10 | 120.0° | 120.0° |
| C1 | C | H9 | H10 | 120.0° | 120.0° |
| C | C1 | C2 | H13 | 34.9° | 65.7° |
| C | C1 | O14 | H23 | 57.1° | 60.0° |
| C2 | O | C5 | O1 | 157.2° | 159.3° |
| C2 | O | C5 | H2 | 81.8° | 78.3° |
| O | C2 | C1 | H11 | 154.9° | 176.5° |
| O | C2 | C3 | H14 | 108.1° | 94.7° |
| O | C5 | O1 | H2 | 121.0° | 122.3° |
| O | C5 | O1 | P | 29.6° | 94.6° |
| O | C5 | C4 | H1 | 143.6° | 142.6° |
| C5 | O | C2 | H13 | 90.2° | 78.5° |
| C5 | O1 | P | O2 | 174.7° | 65.0° |
| C5 | O1 | P | O4 | 65.8° | 175.0° |
| O1 | C5 | C4 | H1 | 92.2° | 98.6° |
| O1 | P | O2 | O4 | 119.6° | 120.0° |
| O1 | P | O4 | P1 | 70.6° | 165.1° |
| P | O1 | C5 | H2 | 150.5° | 27.7° |
| O1 | P | O2 | H24 | 120.2° | 60.0° |
| O2 | P | O4 | P1 | 49.6° | 75.0° |
| P | O4 | P1 | O6 | 6.1° | 44.9° |
| P | O4 | P1 | O7 | 126.3° | 165.0° |
| P | O4 | P1 | O5 | 113.8° | 75.0° |
| O4 | P | O2 | H24 | 120.2° | 60.0° |
| O4 | P1 | O6 | O7 | 119.8° | 120.1° |
| O4 | P1 | O6 | O5 | 120.3° | 119.9° |
| O4 | P1 | O7 | O5 | 120.0° | 120.0° |
| O4 | P1 | O7 | C6 | 65.9° | 175.0° |
| O4 | P1 | O5 | H25 | 120.4° | 60.1° |
| O6 | P1 | O7 | O5 | 119.6° | 120.0° |
| O6 | P1 | O7 | C6 | 54.4° | 55.0° |
| O6 | P1 | O5 | H25 | 0.0° | 180.0° |
| P1 | O7 | C6 | C7 | 148.1° | 180.0° |
| P1 | O7 | C6 | H3 | 28.1° | 60.0° |
| P1 | O7 | C6 | H4 | 92.0° | 60.0° |
| O7 | P1 | O5 | H25 | 120.0° | 59.9° |
| O5 | P1 | O7 | C6 | 174.1° | 65.0° |
| O7 | C6 | C7 | H3 | 120.0° | 120.0° |
| O7 | C6 | C7 | H4 | 120.0° | 120.0° |
| O7 | C6 | C7 | O8 | 95.7° | 69.6° |
| O7 | C6 | C7 | C8 | 22.6° | 175.0° |
| O7 | C6 | H3 | H4 | 120.2° | 120.0° |
| O7 | C6 | C7 | H5 | 142.7° | 52.7° |
| C6 | C7 | O8 | C8 | 120.7° | 118.9° |
| C6 | C7 | O8 | H5 | 120.9° | 122.3° |
| C6 | C7 | O8 | C10 | 137.3° | 159.4° |
| C6 | C7 | C8 | H5 | 120.1° | 122.2° |
| C6 | C7 | C8 | C9 | 115.6° | 142.8° |
| C6 | C7 | C8 | O11 | 126.3° | 98.5° |
| C7 | C6 | H3 | H4 | 120.1° | 120.0° |
| C6 | C7 | C8 | H6 | 3.1° | 24.2° |
| O8 | C7 | C8 | H5 | 119.3° | 118.9° |
| O8 | C7 | C8 | C9 | 5.1° | 23.9° |
| O8 | C7 | C8 | O11 | 113.0° | 142.6° |
| C7 | O8 | C10 | N | 152.8° | 159.4° |
| C7 | O8 | C10 | C9 | 31.6° | 40.5° |
| O8 | C7 | C6 | H3 | 144.4° | 170.4° |
| O8 | C7 | C6 | H4 | 24.3° | 50.4° |
| O8 | C7 | C8 | H6 | 123.8° | 94.7° |
| C7 | O8 | C10 | H7 | 85.6° | 78.3° |
| C10 | O8 | C7 | C8 | 16.6° | 40.5° |
| O8 | C10 | N | C11 | 65.4° | 20.5° |
| O8 | C10 | C9 | C8 | 33.3° | 24.0° |
| O8 | C10 | N | C9 | 116.8° | 115.4° |
| O8 | C10 | N | H7 | 122.0° | 122.3° |
| O8 | C10 | N | C13 | 114.3° | 159.6° |
| O8 | C10 | C9 | H7 | 118.0° | 118.9° |
| O8 | C10 | C9 | O10 | 151.9° | 142.6° |
| C10 | O8 | C7 | H5 | 101.9° | 78.3° |
| O8 | C10 | C9 | H15 | 84.0° | 94.6° |
| C7 | C8 | C9 | O11 | 118.2° | 118.6° |
| C7 | C8 | C9 | H6 | 118.6° | 118.6° |
| C7 | C8 | O11 | H6 | 122.4° | 122.7° |
| C7 | C8 | C9 | C10 | 23.1° | 0.1° |
| C7 | C8 | C9 | O10 | 142.7° | 118.6° |
| C8 | C7 | C6 | H3 | 97.3° | 55.0° |
| C8 | C7 | C6 | H4 | 142.6° | 65.0° |
| C7 | C8 | C9 | H15 | 94.1° | 118.6° |
| C7 | C8 | O11 | H20 | 180.0° | 180.0° |
| N1 | C11 | N | H12 | 180.0° | 180.0° |
| N1 | C11 | N | C10 | 179.9° | 180.0° |
| N1 | C11 | N | C13 | 0.1° | 0.0° |
| C11 | N1 | C12 | C13 | 0.1° | 0.0° |
| C11 | N1 | C12 | C15 | 179.9° | 180.0° |
| N | C11 | N1 | C12 | 0.0° | 0.0° |
| C11 | N | C10 | C13 | 179.7° | 179.9° |
| C11 | N | C10 | C9 | 51.4° | 94.9° |
| C11 | N | C13 | C12 | 0.1° | 0.0° |
| C11 | N | C13 | N2 | 180.0° | 180.0° |
| C11 | N | C10 | H7 | 172.6° | 142.8° |
| N1 | C12 | C13 | N | 0.1° | 0.0° |
| N1 | C12 | C13 | C15 | 179.9° | 179.9° |
| N1 | C12 | C13 | N2 | 180.0° | 180.0° |
| N1 | C12 | C15 | O9 | 0.2° | 0.1° |
| N1 | C12 | C15 | N3 | 179.9° | 180.0° |
| C12 | N1 | C11 | H12 | 180.0° | 179.9° |
| C9 | C8 | O11 | H6 | 122.4° | 122.7° |
| C8 | C9 | C10 | N | 153.9° | 142.9° |
| C8 | C9 | C10 | O10 | 118.6° | 118.6° |
| C8 | C9 | C10 | H15 | 117.3° | 118.7° |
| C8 | C9 | O10 | H15 | 122.5° | 122.7° |
| C9 | C8 | C7 | H5 | 124.4° | 95.0° |
| C8 | C9 | C10 | H7 | 84.6° | 94.8° |
| C8 | C9 | O10 | H19 | 180.0° | 61.4° |
| C9 | C8 | O11 | H20 | 64.8° | 65.4° |
| O11 | C8 | C9 | C10 | 95.2° | 118.6° |
| O11 | C8 | C9 | O10 | 24.4° | 0.0° |
| O11 | C8 | C7 | H5 | 6.2° | 23.7° |
| O11 | C8 | C9 | H15 | 147.6° | 122.7° |
| N | C10 | C9 | H7 | 121.4° | 122.2° |
| C10 | N | C13 | C12 | 179.9° | 180.0° |
| C10 | N | C13 | N2 | 0.2° | 0.1° |
| N | C10 | C9 | O10 | 87.5° | 98.5° |
| C10 | N | C11 | H12 | 0.1° | 0.0° |
| N | C10 | C9 | H15 | 36.6° | 24.3° |
| C13 | N | C10 | C9 | 128.9° | 85.0° |
| N | C13 | C12 | N2 | 179.9° | 180.0° |
| N | C13 | C12 | C15 | 180.0° | 180.0° |
| N | C13 | N2 | C14 | 179.9° | 180.0° |
| C13 | N | C10 | H7 | 7.7° | 37.3° |
| C13 | N | C11 | H12 | 179.9° | 179.9° |
| C10 | C9 | O10 | H15 | 123.3° | 122.7° |
| C10 | C9 | C8 | H6 | 141.7° | 118.7° |
| C10 | C9 | O10 | H19 | 65.8° | 176.0° |
| C13 | C12 | C15 | O9 | 180.0° | 180.0° |
| C13 | C12 | C15 | N3 | 0.1° | 0.0° |
| C12 | C13 | N2 | C14 | 0.0° | 0.0° |
| C15 | C12 | C13 | N2 | 0.1° | 0.0° |
| C12 | C15 | O9 | N3 | 179.9° | 179.9° |
| C12 | C15 | N3 | C14 | 0.1° | 0.0° |
| C12 | C15 | O9 | H16 | 179.8° | 90.0° |
| C13 | N2 | C14 | N3 | 0.0° | 0.0° |
| C13 | N2 | C14 | N4 | 179.9° | 180.0° |
| O9 | C15 | N3 | C14 | 179.9° | 180.0° |
| O10 | C9 | C8 | H6 | 98.8° | 122.7° |
| O10 | C9 | C10 | H7 | 34.0° | 23.8° |
| C15 | N3 | C14 | N2 | 0.0° | 0.0° |
| C15 | N3 | C14 | N4 | 179.9° | 180.0° |
| N3 | C15 | O9 | H16 | 0.0° | 90.0° |
| N2 | C14 | N3 | N4 | 179.9° | 179.9° |
| N2 | C14 | N4 | H17 | 0.0° | 180.0° |
| N2 | C14 | N4 | H18 | 120.0° | 0.0° |
| N3 | C14 | N4 | H17 | 180.0° | 0.0° |
| N3 | C14 | N4 | H18 | 60.0° | 180.0° |
| C14 | N4 | H17 | H18 | 120.0° | 180.0° |
| H1 | C4 | C5 | H2 | 27.7° | 23.8° |
| H1 | C4 | C3 | H14 | 114.2° | 122.7° |
| H1 | C4 | O12 | H21 | 143.4° | 61.1° |
| H3 | C6 | C7 | H5 | 22.8° | 67.2° |
| H4 | C6 | C7 | H5 | 97.3° | 172.8° |
| H5 | C7 | C8 | H6 | 117.0° | 146.4° |
| H6 | C8 | C9 | H15 | 24.4° | 0.0° |
| H6 | C8 | O11 | H20 | 57.6° | 57.3° |
| H7 | C10 | C9 | H15 | 158.0° | 146.5° |
| H8 | C | H9 | H10 | 120.0° | 120.1° |
| H8 | C | C1 | H11 | 60.6° | 60.0° |
| H9 | C | C1 | H11 | 59.4° | 60.0° |
| H10 | C | C1 | H11 | 179.4° | 180.0° |
| H11 | C1 | C2 | H13 | 84.0° | 54.3° |
| H11 | C1 | O14 | H23 | 61.6° | 180.0° |
| H13 | C2 | C3 | H14 | 133.3° | 146.5° |
| H14 | C3 | O13 | H22 | 57.5° | 61.2° |
| H15 | C9 | O10 | H19 | 57.5° | 61.3° |
