DP4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.44Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.43Å | Aromatic |
| C1 | HC1 | sing | 1.08Å | 1.08Å | |
| C2 | C3 | sing | 1.38Å | 1.43Å | Aromatic |
| C2 | HC2 | sing | 1.08Å | 1.08Å | |
| C3 | C4 | doub | 1.38Å | 1.45Å | Aromatic |
| C3 | HC3 | sing | 1.08Å | 1.08Å | |
| C4 | C5 | sing | 1.38Å | 1.44Å | Aromatic |
| C4 | SI | sing | 1.87Å | 1.80Å | |
| C5 | C6 | doub | 1.38Å | 1.44Å | Aromatic |
| C5 | HC5 | sing | 1.08Å | 1.08Å | |
| C6 | HC6 | sing | 1.08Å | 1.08Å | |
| C7 | SI | sing | 1.86Å | 1.81Å | |
| C7 | HC71 | sing | 1.09Å | 1.10Å | |
| C7 | HC72 | sing | 1.09Å | 1.10Å | |
| C7 | HC73 | sing | 1.09Å | 1.10Å | |
| C8 | SI | sing | 1.86Å | 1.81Å | |
| C8 | HC81 | sing | 1.09Å | 1.10Å | |
| C8 | HC82 | sing | 1.09Å | 1.10Å | |
| C8 | HC83 | sing | 1.09Å | 1.10Å | |
| SI | C9 | sing | 1.86Å | 1.83Å | |
| C9 | C10 | sing | 1.53Å | 1.57Å | |
| C9 | C13 | sing | 1.53Å | 1.58Å | |
| C9 | HC9 | sing | 1.09Å | 1.10Å | |
| C10 | C11 | sing | 1.53Å | 1.58Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C11 | N1 | sing | 1.47Å | 1.55Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.53Å | 1.59Å | |
| C12 | N1 | sing | 1.47Å | 1.56Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| N1 | O1 | sing | 1.46Å | 1.37Å | |
| N1 | C14 | sing | 1.47Å | 1.59Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H143 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 120.3° | 120.0° |
| C2 | C1 | HC1 | 119.9° | 120.0° |
| C1 | C2 | C3 | 119.8° | 120.0° |
| C1 | C2 | HC2 | 120.1° | 120.1° |
| C6 | C1 | HC1 | 119.8° | 120.0° |
| C1 | C6 | C5 | 119.9° | 120.0° |
| C1 | C6 | HC6 | 120.0° | 120.0° |
| C3 | C2 | HC2 | 120.1° | 120.0° |
| C2 | C3 | C4 | 120.6° | 120.0° |
| C2 | C3 | HC3 | 119.7° | 120.0° |
| C4 | C3 | HC3 | 119.7° | 120.0° |
| C3 | C4 | C5 | 119.0° | 120.0° |
| C3 | C4 | SI | 119.7° | 120.0° |
| C5 | C4 | SI | 121.3° | 120.0° |
| C4 | C5 | C6 | 120.4° | 120.0° |
| C4 | C5 | HC5 | 119.8° | 120.0° |
| C4 | SI | C7 | 107.8° | 109.5° |
| C4 | SI | C8 | 111.9° | 109.4° |
| C4 | SI | C9 | 111.4° | 109.5° |
| C6 | C5 | HC5 | 119.8° | 120.0° |
| C5 | C6 | HC6 | 120.1° | 120.0° |
| SI | C7 | HC71 | 109.5° | 109.5° |
| SI | C7 | HC72 | 109.4° | 109.5° |
| SI | C7 | HC73 | 109.5° | 109.4° |
| C7 | SI | C8 | 105.2° | 109.5° |
| C7 | SI | C9 | 110.4° | 109.5° |
| HC71 | C7 | HC72 | 109.4° | 109.5° |
| HC71 | C7 | HC73 | 109.4° | 109.5° |
| HC72 | C7 | HC73 | 109.5° | 109.5° |
| SI | C8 | HC81 | 109.5° | 109.5° |
| SI | C8 | HC82 | 109.5° | 109.5° |
| SI | C8 | HC83 | 109.5° | 109.5° |
| C8 | SI | C9 | 109.9° | 109.5° |
| HC81 | C8 | HC82 | 109.4° | 109.4° |
| HC81 | C8 | HC83 | 109.4° | 109.5° |
| HC82 | C8 | HC83 | 109.5° | 109.4° |
| SI | C9 | C10 | 113.5° | 109.5° |
| SI | C9 | C13 | 111.7° | 109.6° |
| SI | C9 | HC9 | 104.8° | 109.6° |
| C10 | C9 | C13 | 108.7° | 109.1° |
| C10 | C9 | HC9 | 108.0° | 109.5° |
| C9 | C10 | C11 | 113.3° | 109.2° |
| C9 | C10 | H101 | 108.2° | 109.5° |
| C9 | C10 | H102 | 108.2° | 109.5° |
| C13 | C9 | HC9 | 109.9° | 109.6° |
| C9 | C13 | C12 | 112.0° | 109.3° |
| C9 | C13 | H131 | 108.6° | 109.5° |
| C9 | C13 | H132 | 108.6° | 109.5° |
| C11 | C10 | H101 | 108.2° | 109.5° |
| C11 | C10 | H102 | 108.2° | 109.5° |
| C10 | C11 | N1 | 112.8° | 109.6° |
| C10 | C11 | H111 | 108.4° | 109.4° |
| C10 | C11 | H112 | 108.4° | 109.4° |
| H101 | C10 | H102 | 110.7° | 109.6° |
| N1 | C11 | H111 | 108.4° | 109.4° |
| N1 | C11 | H112 | 108.4° | 109.5° |
| C11 | N1 | C12 | 110.5° | 109.8° |
| C11 | N1 | O1 | 105.5° | 109.5° |
| C11 | N1 | C14 | 112.4° | 109.4° |
| H111 | C11 | H112 | 110.6° | 109.4° |
| C13 | C12 | N1 | 113.7° | 109.6° |
| C13 | C12 | H121 | 108.1° | 109.5° |
| C13 | C12 | H122 | 108.1° | 109.5° |
| C12 | C13 | H131 | 108.6° | 109.5° |
| C12 | C13 | H132 | 108.6° | 109.5° |
| N1 | C12 | H121 | 108.1° | 109.5° |
| N1 | C12 | H122 | 108.1° | 109.4° |
| C12 | N1 | O1 | 108.2° | 109.4° |
| C12 | N1 | C14 | 114.1° | 109.4° |
| H121 | C12 | H122 | 110.8° | 109.4° |
| H131 | C13 | H132 | 110.3° | 109.6° |
| O1 | N1 | C14 | 105.6° | 109.3° |
| N1 | C14 | H141 | 109.5° | 109.5° |
| N1 | C14 | H142 | 109.5° | 109.5° |
| N1 | C14 | H143 | 109.5° | 109.5° |
| H141 | C14 | H142 | 109.5° | 109.5° |
| H141 | C14 | H143 | 109.5° | 109.4° |
| H142 | C14 | H143 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | HC1 | 180.0° | 179.8° |
| C1 | C2 | C3 | HC2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.1° | 0.0° |
| C1 | C2 | C3 | HC3 | 179.9° | 180.0° |
| C2 | C1 | C6 | C5 | 0.1° | 0.1° |
| C2 | C1 | C6 | HC6 | 179.9° | 180.0° |
| C6 | C1 | C2 | C3 | 0.0° | 0.1° |
| C6 | C1 | C2 | HC2 | 180.0° | 179.9° |
| C1 | C6 | C5 | C4 | 0.1° | 0.2° |
| C1 | C6 | C5 | HC6 | 180.0° | 179.8° |
| C1 | C6 | C5 | HC5 | 179.9° | 180.0° |
| HC1 | C1 | C2 | C3 | 180.0° | 179.7° |
| HC1 | C1 | C2 | HC2 | 0.0° | 0.3° |
| HC1 | C1 | C6 | C5 | 179.9° | 179.6° |
| HC1 | C1 | C6 | HC6 | 0.1° | 0.2° |
| C2 | C3 | C4 | HC3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.1° | 0.1° |
| C2 | C3 | C4 | SI | 179.9° | 179.9° |
| HC2 | C2 | C3 | C4 | 179.9° | 180.0° |
| HC2 | C2 | C3 | HC3 | 0.1° | 0.0° |
| C3 | C4 | C5 | SI | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.0° | 0.1° |
| C3 | C4 | C5 | HC5 | 180.0° | 180.0° |
| C3 | C4 | SI | C7 | 65.5° | 83.7° |
| C3 | C4 | SI | C8 | 179.3° | 36.3° |
| C3 | C4 | SI | C9 | 55.8° | 156.3° |
| HC3 | C3 | C4 | C5 | 179.9° | 180.0° |
| HC3 | C3 | C4 | SI | 0.1° | 0.0° |
| C4 | C5 | C6 | HC5 | 180.0° | 179.8° |
| C4 | C5 | C6 | HC6 | 179.9° | 180.0° |
| C5 | C4 | SI | C7 | 114.5° | 96.3° |
| C5 | C4 | SI | C8 | 0.7° | 143.7° |
| C5 | C4 | SI | C9 | 124.2° | 23.7° |
| SI | C4 | C5 | C6 | 180.0° | 179.8° |
| SI | C4 | C5 | HC5 | 0.0° | 0.0° |
| C4 | SI | C7 | C8 | 119.5° | 120.0° |
| C4 | SI | C7 | C9 | 121.9° | 120.0° |
| C4 | SI | C7 | HC71 | 180.0° | 60.0° |
| C4 | SI | C7 | HC72 | 60.0° | 180.0° |
| C4 | SI | C7 | HC73 | 60.0° | 60.0° |
| C4 | SI | C8 | C9 | 124.3° | 120.0° |
| C4 | SI | C8 | HC81 | 180.0° | 60.0° |
| C4 | SI | C8 | HC82 | 60.0° | 180.0° |
| C4 | SI | C8 | HC83 | 60.0° | 60.0° |
| C4 | SI | C9 | C10 | 173.3° | 167.1° |
| C4 | SI | C9 | C13 | 63.3° | 73.3° |
| C4 | SI | C9 | HC9 | 55.6° | 47.0° |
| HC5 | C5 | C6 | HC6 | 0.1° | 0.2° |
| SI | C7 | HC71 | HC72 | 120.0° | 120.0° |
| SI | C7 | HC71 | HC73 | 120.0° | 120.0° |
| SI | C7 | HC72 | HC73 | 120.0° | 120.0° |
| C7 | SI | C8 | C9 | 118.9° | 120.0° |
| C7 | SI | C8 | HC81 | 63.2° | 180.0° |
| C7 | SI | C8 | HC82 | 176.8° | 60.0° |
| C7 | SI | C8 | HC83 | 56.8° | 60.0° |
| C7 | SI | C9 | C10 | 53.5° | 72.9° |
| C7 | SI | C9 | C13 | 176.9° | 46.7° |
| C7 | SI | C9 | HC9 | 64.1° | 167.0° |
| HC71 | C7 | HC72 | HC73 | 120.0° | 120.0° |
| HC71 | C7 | SI | C8 | 60.5° | 60.0° |
| HC71 | C7 | SI | C9 | 58.1° | 180.0° |
| HC72 | C7 | SI | C8 | 59.5° | 60.0° |
| HC72 | C7 | SI | C9 | 178.1° | 60.0° |
| HC73 | C7 | SI | C8 | 179.6° | 180.0° |
| HC73 | C7 | SI | C9 | 61.9° | 60.0° |
| SI | C8 | HC81 | HC82 | 120.0° | 120.0° |
| SI | C8 | HC81 | HC83 | 120.0° | 120.1° |
| SI | C8 | HC82 | HC83 | 120.0° | 120.0° |
| C8 | SI | C9 | C10 | 62.1° | 47.1° |
| C8 | SI | C9 | C13 | 61.3° | 166.7° |
| C8 | SI | C9 | HC9 | 179.7° | 73.0° |
| HC81 | C8 | HC82 | HC83 | 120.0° | 120.0° |
| HC81 | C8 | SI | C9 | 55.7° | 59.9° |
| HC82 | C8 | SI | C9 | 64.3° | 60.0° |
| HC83 | C8 | SI | C9 | 175.7° | 180.0° |
| SI | C9 | C10 | C13 | 125.0° | 119.9° |
| SI | C9 | C10 | HC9 | 115.8° | 120.1° |
| SI | C9 | C13 | HC9 | 115.9° | 120.3° |
| SI | C9 | C10 | C11 | 179.7° | 176.8° |
| SI | C9 | C10 | H101 | 59.7° | 56.9° |
| SI | C9 | C10 | H102 | 60.2° | 63.3° |
| SI | C9 | C13 | C12 | 179.8° | 176.8° |
| SI | C9 | C13 | H131 | 60.2° | 63.2° |
| SI | C9 | C13 | H132 | 59.7° | 56.9° |
| C10 | C9 | C13 | HC9 | 118.1° | 119.9° |
| C9 | C10 | C11 | H101 | 120.0° | 119.9° |
| C9 | C10 | C11 | H102 | 120.0° | 119.9° |
| C9 | C10 | H101 | H102 | 118.4° | 120.2° |
| C9 | C10 | C11 | N1 | 55.3° | 59.9° |
| C9 | C10 | C11 | H111 | 175.3° | 180.0° |
| C9 | C10 | C11 | H112 | 64.7° | 60.1° |
| C10 | C9 | C13 | C12 | 53.8° | 56.9° |
| C10 | C9 | C13 | H131 | 173.8° | 176.9° |
| C10 | C9 | C13 | H132 | 66.2° | 63.0° |
| C13 | C9 | C10 | C11 | 54.7° | 56.9° |
| C13 | C9 | C10 | H101 | 65.3° | 63.0° |
| C13 | C9 | C10 | H102 | 174.8° | 176.8° |
| C9 | C13 | C12 | H131 | 120.0° | 119.9° |
| C9 | C13 | C12 | H132 | 120.0° | 119.9° |
| C9 | C13 | C12 | N1 | 54.4° | 60.0° |
| C9 | C13 | C12 | H121 | 65.6° | 60.1° |
| C9 | C13 | C12 | H122 | 174.4° | 180.0° |
| C9 | C13 | H131 | H132 | 118.9° | 120.1° |
| HC9 | C9 | C10 | C11 | 64.5° | 63.0° |
| HC9 | C9 | C10 | H101 | 175.5° | 177.1° |
| HC9 | C9 | C10 | H102 | 55.5° | 56.9° |
| HC9 | C9 | C13 | C12 | 64.3° | 62.9° |
| HC9 | C9 | C13 | H131 | 55.7° | 57.0° |
| HC9 | C9 | C13 | H132 | 175.7° | 177.1° |
| C11 | C10 | H101 | H102 | 118.5° | 120.1° |
| C10 | C11 | N1 | H111 | 120.0° | 120.0° |
| C10 | C11 | N1 | H112 | 120.0° | 120.0° |
| C10 | C11 | H111 | H112 | 118.7° | 119.9° |
| C10 | C11 | N1 | C12 | 51.7° | 63.2° |
| C10 | C11 | N1 | O1 | 65.1° | 57.0° |
| C10 | C11 | N1 | C14 | 179.6° | 176.8° |
| H101 | C10 | C11 | N1 | 64.7° | 60.0° |
| H101 | C10 | C11 | H111 | 55.3° | 60.1° |
| H101 | C10 | C11 | H112 | 175.3° | 180.0° |
| H102 | C10 | C11 | N1 | 175.3° | 179.9° |
| H102 | C10 | C11 | H111 | 64.7° | 60.1° |
| H102 | C10 | C11 | H112 | 55.3° | 59.9° |
| N1 | C11 | H111 | H112 | 118.6° | 119.9° |
| C11 | N1 | C12 | C13 | 51.9° | 63.2° |
| C11 | N1 | C12 | O1 | 115.1° | 120.2° |
| C11 | N1 | C12 | C14 | 127.8° | 120.1° |
| C11 | N1 | C12 | H121 | 68.1° | 56.9° |
| C11 | N1 | C12 | H122 | 172.0° | 176.8° |
| C11 | N1 | O1 | C14 | 119.1° | 119.8° |
| C11 | N1 | C14 | H141 | 180.0° | 60.0° |
| C11 | N1 | C14 | H142 | 60.0° | 180.0° |
| C11 | N1 | C14 | H143 | 60.0° | 60.0° |
| H111 | C11 | N1 | C12 | 171.7° | 176.8° |
| H111 | C11 | N1 | O1 | 54.9° | 63.0° |
| H111 | C11 | N1 | C14 | 59.6° | 56.7° |
| H112 | C11 | N1 | C12 | 68.3° | 56.8° |
| H112 | C11 | N1 | O1 | 174.9° | 177.0° |
| H112 | C11 | N1 | C14 | 60.4° | 63.2° |
| C13 | C12 | N1 | H121 | 120.0° | 120.1° |
| C13 | C12 | N1 | H122 | 120.0° | 120.0° |
| C13 | C12 | H121 | H122 | 118.3° | 120.0° |
| C12 | C13 | H131 | H132 | 118.9° | 120.1° |
| C13 | C12 | N1 | O1 | 63.1° | 57.0° |
| C13 | C12 | N1 | C14 | 179.7° | 176.7° |
| N1 | C12 | H121 | H122 | 118.2° | 119.9° |
| N1 | C12 | C13 | H131 | 174.4° | 179.9° |
| N1 | C12 | C13 | H132 | 65.6° | 59.9° |
| C12 | N1 | O1 | C14 | 122.5° | 119.8° |
| C12 | N1 | C14 | H141 | 53.2° | 60.4° |
| C12 | N1 | C14 | H142 | 173.2° | 59.6° |
| C12 | N1 | C14 | H143 | 66.8° | 179.7° |
| H121 | C12 | C13 | H131 | 54.4° | 59.9° |
| H121 | C12 | C13 | H132 | 174.4° | 180.0° |
| H121 | C12 | N1 | O1 | 176.9° | 177.0° |
| H121 | C12 | N1 | C14 | 59.7° | 63.2° |
| H122 | C12 | C13 | H131 | 65.6° | 60.1° |
| H122 | C12 | C13 | H132 | 54.4° | 60.1° |
| H122 | C12 | N1 | O1 | 56.9° | 63.0° |
| H122 | C12 | N1 | C14 | 60.3° | 56.7° |
| O1 | N1 | C14 | H141 | 65.5° | 179.8° |
| O1 | N1 | C14 | H142 | 54.5° | 60.2° |
| O1 | N1 | C14 | H143 | 174.5° | 59.9° |
| N1 | C14 | H141 | H142 | 120.0° | 120.0° |
| N1 | C14 | H141 | H143 | 120.0° | 120.0° |
| N1 | C14 | H142 | H143 | 120.0° | 120.0° |
| H141 | C14 | H142 | H143 | 120.0° | 119.9° |
