RGM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C04 | C05 | sing | 1.54Å | 1.38Å | |
| C04 | C03 | sing | 1.55Å | 1.35Å | |
| C06 | C05 | sing | 1.54Å | 1.66Å | |
| C06 | N07 | sing | 1.47Å | 1.50Å | |
| C05 | C09 | sing | 1.55Å | 1.43Å | |
| O19 | C17 | doub | 1.21Å | 1.20Å | |
| C03 | C16 | sing | 1.51Å | 1.53Å | |
| C03 | N02 | sing | 1.50Å | 1.64Å | |
| C15 | C16 | doub | 1.32Å | 1.40Å | Aromatic |
| C15 | N14 | sing | 1.37Å | 1.36Å | Aromatic |
| C16 | C12 | sing | 1.48Å | 1.44Å | Aromatic |
| N14 | C13 | sing | 1.35Å | 1.36Å | Aromatic |
| N07 | C17 | sing | 1.35Å | 1.42Å | |
| N07 | C08 | sing | 1.46Å | 1.54Å | |
| C17 | C18 | sing | 1.51Å | 1.53Å | |
| C12 | C13 | doub | 1.35Å | 1.39Å | Aromatic |
| C12 | C10 | sing | 1.48Å | 1.51Å | |
| C09 | C10 | sing | 1.51Å | 1.58Å | |
| C09 | N02 | sing | 1.48Å | 1.48Å | |
| C09 | C08 | sing | 1.52Å | 1.60Å | |
| C10 | O11 | doub | 1.21Å | 1.20Å | |
| N02 | C01 | sing | 1.47Å | 1.04Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.08Å | 1.08Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| C04 | H7 | sing | 1.09Å | 1.10Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| C05 | H9 | sing | 1.09Å | 1.10Å | |
| C06 | H10 | sing | 1.09Å | 1.10Å | |
| C06 | H11 | sing | 1.09Å | 1.10Å | |
| C08 | H12 | sing | 1.09Å | 1.10Å | |
| C08 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| N14 | H18 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C05 | C04 | C03 | 110.5° | 105.1° |
| C04 | C05 | C06 | 113.3° | 109.4° |
| C04 | C05 | C09 | 110.7° | 104.7° |
| C05 | C04 | H7 | 109.2° | 110.4° |
| C05 | C04 | H8 | 109.2° | 110.3° |
| C04 | C05 | H9 | 110.8° | 112.5° |
| C04 | C03 | C16 | 112.9° | 106.0° |
| C04 | C03 | N02 | 97.3° | 102.4° |
| C04 | C03 | H6 | 115.7° | 114.5° |
| C03 | C04 | H7 | 109.2° | 110.0° |
| C03 | C04 | H8 | 109.2° | 110.5° |
| C05 | C06 | N07 | 103.7° | 108.1° |
| C06 | C05 | C09 | 104.6° | 103.3° |
| C06 | C05 | H9 | 107.2° | 113.1° |
| C05 | C06 | H10 | 110.9° | 109.8° |
| C05 | C06 | H11 | 110.9° | 109.7° |
| C06 | N07 | C17 | 126.7° | 125.3° |
| C06 | N07 | C08 | 109.7° | 109.5° |
| N07 | C06 | H10 | 110.9° | 109.8° |
| N07 | C06 | H11 | 110.9° | 109.8° |
| C05 | C09 | C10 | 111.4° | 110.3° |
| C05 | C09 | N02 | 98.5° | 104.9° |
| C05 | C09 | C08 | 110.0° | 105.1° |
| C09 | C05 | H9 | 110.1° | 113.1° |
| O19 | C17 | N07 | 119.5° | 120.0° |
| O19 | C17 | C18 | 123.6° | 120.0° |
| C16 | C03 | N02 | 105.8° | 105.6° |
| C03 | C16 | C15 | 133.2° | 133.0° |
| C03 | C16 | C12 | 121.4° | 120.7° |
| C16 | C03 | H6 | 112.6° | 113.5° |
| C03 | N02 | C09 | 98.4° | 104.0° |
| C03 | N02 | C01 | 118.2° | 111.0° |
| N02 | C03 | H6 | 111.0° | 113.8° |
| C16 | C15 | N14 | 108.0° | 108.9° |
| C15 | C16 | C12 | 105.4° | 106.3° |
| C16 | C15 | H2 | 126.0° | 125.5° |
| C15 | N14 | C13 | 111.6° | 110.5° |
| N14 | C15 | H2 | 126.0° | 125.6° |
| C15 | N14 | H18 | 124.2° | 124.8° |
| C16 | C12 | C13 | 108.6° | 106.6° |
| C16 | C12 | C10 | 119.5° | 118.8° |
| N14 | C13 | C12 | 106.4° | 107.7° |
| N14 | C13 | H1 | 126.8° | 126.1° |
| C13 | N14 | H18 | 124.2° | 124.7° |
| C17 | N07 | C08 | 123.6° | 125.2° |
| N07 | C17 | C18 | 116.9° | 120.0° |
| N07 | C08 | C09 | 104.3° | 106.7° |
| N07 | C08 | H12 | 110.8° | 110.1° |
| N07 | C08 | H13 | 110.8° | 109.8° |
| C17 | C18 | H14 | 109.5° | 109.5° |
| C17 | C18 | H15 | 109.5° | 109.5° |
| C17 | C18 | H16 | 109.5° | 109.4° |
| C13 | C12 | C10 | 131.9° | 134.6° |
| C12 | C13 | H1 | 126.8° | 126.2° |
| C12 | C10 | C09 | 112.5° | 112.5° |
| C12 | C10 | O11 | 123.8° | 123.7° |
| C10 | C09 | N02 | 112.8° | 109.6° |
| C10 | C09 | C08 | 111.1° | 113.4° |
| C09 | C10 | O11 | 123.7° | 123.7° |
| N02 | C09 | C08 | 112.5° | 113.1° |
| C09 | N02 | C01 | 118.9° | 110.8° |
| C09 | C08 | H12 | 110.8° | 110.0° |
| C09 | C08 | H13 | 110.7° | 110.1° |
| N02 | C01 | H3 | 109.5° | 109.5° |
| N02 | C01 | H4 | 109.4° | 109.4° |
| N02 | C01 | H5 | 109.5° | 109.5° |
| H3 | C01 | H4 | 109.5° | 109.5° |
| H3 | C01 | H5 | 109.5° | 109.5° |
| H4 | C01 | H5 | 109.5° | 109.5° |
| H7 | C04 | H8 | 109.4° | 110.4° |
| H10 | C06 | H11 | 109.4° | 109.7° |
| H12 | C08 | H13 | 109.5° | 110.1° |
| H14 | C18 | H15 | 109.5° | 109.4° |
| H14 | C18 | H16 | 109.4° | 109.4° |
| H15 | C18 | H16 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C05 | C04 | C03 | H7 | 120.2° | 118.8° |
| C05 | C04 | C03 | H8 | 120.2° | 119.0° |
| C04 | C05 | C06 | C09 | 120.7° | 111.1° |
| C04 | C05 | C06 | H9 | 122.5° | 126.3° |
| C04 | C05 | C06 | N07 | 148.8° | 127.3° |
| C04 | C05 | C09 | H9 | 122.8° | 122.9° |
| C05 | C04 | C03 | C16 | 80.6° | 80.9° |
| C05 | C04 | C03 | N02 | 30.0° | 29.5° |
| C04 | C05 | C09 | C10 | 89.3° | 97.2° |
| C04 | C05 | C09 | N02 | 29.3° | 20.7° |
| C04 | C05 | C09 | C08 | 147.0° | 140.2° |
| C05 | C04 | C03 | H6 | 147.6° | 153.1° |
| C05 | C04 | H7 | H8 | 119.5° | 122.2° |
| C04 | C05 | C06 | H10 | 92.1° | 112.9° |
| C04 | C05 | C06 | H11 | 29.7° | 7.7° |
| C03 | C04 | C05 | C06 | 120.0° | 115.9° |
| C03 | C04 | C05 | C09 | 2.8° | 5.7° |
| C04 | C03 | C16 | N02 | 105.3° | 108.2° |
| C04 | C03 | C16 | H6 | 133.3° | 126.5° |
| C04 | C03 | N02 | H6 | 121.2° | 124.1° |
| C04 | C03 | C16 | C15 | 111.1° | 102.7° |
| C04 | C03 | C16 | C12 | 68.0° | 77.4° |
| C04 | C03 | N02 | C09 | 46.5° | 43.3° |
| C04 | C03 | N02 | C01 | 175.7° | 162.4° |
| C03 | C04 | H7 | H8 | 119.5° | 122.2° |
| C03 | C04 | C05 | H9 | 119.6° | 117.6° |
| C05 | C06 | N07 | H10 | 119.1° | 119.7° |
| C05 | C06 | N07 | H11 | 119.1° | 119.6° |
| C06 | C05 | C09 | H9 | 114.8° | 122.6° |
| C05 | C06 | N07 | C17 | 161.0° | 179.8° |
| C05 | C06 | N07 | C08 | 20.6° | 0.2° |
| C06 | C05 | C09 | C10 | 148.3° | 148.3° |
| C06 | C05 | C09 | N02 | 93.1° | 93.8° |
| C06 | C05 | C09 | C08 | 24.7° | 25.7° |
| C06 | C05 | C04 | H7 | 0.2° | 125.6° |
| C06 | C05 | C04 | H8 | 119.9° | 3.3° |
| C05 | C06 | H10 | H11 | 122.7° | 120.6° |
| N07 | C06 | C05 | C09 | 28.1° | 16.3° |
| C06 | N07 | C17 | O19 | 0.1° | 179.9° |
| C06 | N07 | C17 | C08 | 178.2° | 179.5° |
| C06 | N07 | C17 | C18 | 179.1° | 0.1° |
| C06 | N07 | C08 | C09 | 6.8° | 16.5° |
| N07 | C06 | C05 | H9 | 88.7° | 106.4° |
| N07 | C06 | H10 | H11 | 122.7° | 120.7° |
| C06 | N07 | C08 | H12 | 125.9° | 135.9° |
| C06 | N07 | C08 | H13 | 112.4° | 102.7° |
| C05 | C09 | N02 | C03 | 43.8° | 40.3° |
| C05 | C09 | C08 | N07 | 12.6° | 26.5° |
| C05 | C09 | C10 | C12 | 69.6° | 70.8° |
| C05 | C09 | C10 | N02 | 109.7° | 115.0° |
| C05 | C09 | C10 | C08 | 123.0° | 117.6° |
| C05 | C09 | N02 | C08 | 115.8° | 114.0° |
| C05 | C09 | C10 | O11 | 110.1° | 108.9° |
| C05 | C09 | N02 | C01 | 172.6° | 159.6° |
| C09 | C05 | C04 | H7 | 117.3° | 124.2° |
| C09 | C05 | C04 | H8 | 123.0° | 113.5° |
| C09 | C05 | C06 | H10 | 147.2° | 136.0° |
| C09 | C05 | C06 | H11 | 91.0° | 103.4° |
| C05 | C09 | C08 | H12 | 106.6° | 145.9° |
| C05 | C09 | C08 | H13 | 131.8° | 92.6° |
| O19 | C17 | N07 | C18 | 179.2° | 180.0° |
| O19 | C17 | N07 | C08 | 178.1° | 0.5° |
| O19 | C17 | C18 | H14 | 0.0° | 180.0° |
| O19 | C17 | C18 | H15 | 120.0° | 60.0° |
| O19 | C17 | C18 | H16 | 120.0° | 60.0° |
| C16 | C03 | N02 | H6 | 122.4° | 125.1° |
| C03 | C16 | C15 | C12 | 179.2° | 179.9° |
| C03 | C16 | C15 | N14 | 179.9° | 179.9° |
| C03 | C16 | C12 | C13 | 179.9° | 179.8° |
| C03 | C16 | C12 | C10 | 1.2° | 0.3° |
| C16 | C03 | N02 | C09 | 69.9° | 67.5° |
| C16 | C03 | N02 | C01 | 59.3° | 51.7° |
| C03 | C16 | C15 | H2 | 0.2° | 0.1° |
| C16 | C03 | C04 | H7 | 159.2° | 37.9° |
| C16 | C03 | C04 | H8 | 39.6° | 160.0° |
| N02 | C03 | C16 | C15 | 143.6° | 149.1° |
| N02 | C03 | C16 | C12 | 37.3° | 30.8° |
| C03 | N02 | C09 | C10 | 73.8° | 78.2° |
| C03 | N02 | C09 | C01 | 128.8° | 119.3° |
| C03 | N02 | C09 | C08 | 159.6° | 154.2° |
| C03 | N02 | C01 | H3 | 180.0° | 60.2° |
| C03 | N02 | C01 | H4 | 60.0° | 179.9° |
| C03 | N02 | C01 | H5 | 60.0° | 59.9° |
| N02 | C03 | C04 | H7 | 90.1° | 148.3° |
| N02 | C03 | C04 | H8 | 150.2° | 89.6° |
| C16 | C15 | N14 | H2 | 180.0° | 180.0° |
| C16 | C15 | N14 | C13 | 0.6° | 0.0° |
| C15 | C16 | C12 | C13 | 0.6° | 0.1° |
| C15 | C16 | C12 | C10 | 179.5° | 179.8° |
| C15 | C16 | C03 | H6 | 22.2° | 23.8° |
| C16 | C15 | N14 | H18 | 179.4° | 180.0° |
| N14 | C15 | C16 | C12 | 0.7° | 0.1° |
| C15 | N14 | C13 | H18 | 180.0° | 180.0° |
| C15 | N14 | C13 | C12 | 0.2° | 0.1° |
| C15 | N14 | C13 | H1 | 179.8° | 180.0° |
| C16 | C12 | C13 | N14 | 0.2° | 0.1° |
| C16 | C12 | C13 | C10 | 178.8° | 179.9° |
| C16 | C12 | C10 | C09 | 0.7° | 5.5° |
| C16 | C12 | C10 | O11 | 179.0° | 174.8° |
| C16 | C12 | C13 | H1 | 179.8° | 179.9° |
| C12 | C16 | C15 | H2 | 179.3° | 180.0° |
| C12 | C16 | C03 | H6 | 158.7° | 156.1° |
| N14 | C13 | C12 | H1 | 180.0° | 180.0° |
| N14 | C13 | C12 | C10 | 179.0° | 179.8° |
| C13 | N14 | C15 | H2 | 179.4° | 180.0° |
| C17 | N07 | C08 | C09 | 174.8° | 163.0° |
| C17 | N07 | C06 | H10 | 41.9° | 60.5° |
| C17 | N07 | C06 | H11 | 79.9° | 60.1° |
| C17 | N07 | C08 | H12 | 55.6° | 43.7° |
| C17 | N07 | C08 | H13 | 66.0° | 77.7° |
| N07 | C17 | C18 | H14 | 179.1° | 0.0° |
| N07 | C17 | C18 | H15 | 60.8° | 120.0° |
| N07 | C17 | C18 | H16 | 59.2° | 120.0° |
| C08 | N07 | C17 | C18 | 2.8° | 179.4° |
| N07 | C08 | C09 | C10 | 136.4° | 147.0° |
| N07 | C08 | C09 | N02 | 96.1° | 87.4° |
| N07 | C08 | C09 | H12 | 119.2° | 119.4° |
| N07 | C08 | C09 | H13 | 119.2° | 119.1° |
| C08 | N07 | C06 | H10 | 139.7° | 119.9° |
| C08 | N07 | C06 | H11 | 98.5° | 119.4° |
| N07 | C08 | H12 | H13 | 122.4° | 121.2° |
| C17 | C18 | H14 | H15 | 120.0° | 120.0° |
| C17 | C18 | H14 | H16 | 120.0° | 120.0° |
| C17 | C18 | H15 | H16 | 120.0° | 120.0° |
| C13 | C12 | C10 | C09 | 178.0° | 174.4° |
| C13 | C12 | C10 | O11 | 2.3° | 5.3° |
| C12 | C13 | N14 | H18 | 179.8° | 179.9° |
| C12 | C10 | C09 | O11 | 179.7° | 179.7° |
| C12 | C10 | C09 | N02 | 40.1° | 44.2° |
| C12 | C10 | C09 | C08 | 167.4° | 171.6° |
| C10 | C12 | C13 | H1 | 1.0° | 0.2° |
| C10 | C09 | N02 | C08 | 126.6° | 127.6° |
| C10 | C09 | N02 | C01 | 55.0° | 41.2° |
| C10 | C09 | C05 | H9 | 33.5° | 25.7° |
| C10 | C09 | C08 | H12 | 17.3° | 93.6° |
| C10 | C09 | C08 | H13 | 104.4° | 27.9° |
| N02 | C09 | C10 | O11 | 140.3° | 136.1° |
| C09 | N02 | C01 | H3 | 61.0° | 54.9° |
| C09 | N02 | C01 | H4 | 179.0° | 65.1° |
| C09 | N02 | C01 | H5 | 59.0° | 175.0° |
| C09 | N02 | C03 | H6 | 167.7° | 167.4° |
| N02 | C09 | C05 | H9 | 152.1° | 143.6° |
| N02 | C09 | C08 | H12 | 144.7° | 32.0° |
| N02 | C09 | C08 | H13 | 23.1° | 153.5° |
| C08 | C09 | C10 | O11 | 12.9° | 8.7° |
| C08 | C09 | N02 | C01 | 71.6° | 86.4° |
| C08 | C09 | C05 | H9 | 90.1° | 96.9° |
| C09 | C08 | H12 | H13 | 122.4° | 121.5° |
| N02 | C01 | H3 | H4 | 120.0° | 119.9° |
| N02 | C01 | H3 | H5 | 120.0° | 120.1° |
| N02 | C01 | H4 | H5 | 120.0° | 120.0° |
| C01 | N02 | C03 | H6 | 63.1° | 73.4° |
| H1 | C13 | N14 | H18 | 0.3° | 0.1° |
| H2 | C15 | N14 | H18 | 0.6° | 0.1° |
| H3 | C01 | H4 | H5 | 120.0° | 120.0° |
| H6 | C03 | C04 | H7 | 27.4° | 88.1° |
| H6 | C03 | C04 | H8 | 92.2° | 34.1° |
| H7 | C04 | C05 | H9 | 120.3° | 1.0° |
| H8 | C04 | C05 | H9 | 0.6° | 123.2° |
| H9 | C05 | C06 | H10 | 30.4° | 13.4° |
| H9 | C05 | C06 | H11 | 152.2° | 134.0° |
| H14 | C18 | H15 | H16 | 119.9° | 120.0° |
