PN2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CA | N | sing | 1.38Å | 1.46Å | |
| CA | C | doub | 1.31Å | 1.54Å | |
| CA | CB | sing | 1.51Å | 1.53Å | |
| N | HN1 | sing | 0.97Å | 1.02Å | |
| N | HN2 | sing | 0.97Å | 1.02Å | |
| C | O | doub | 1.21Å | 1.22Å | |
| CB | O5 | sing | 1.43Å | 1.44Å | |
| CB | HCB1 | sing | 1.09Å | 1.12Å | |
| CB | HCB2 | sing | 1.09Å | 1.11Å | |
| O5 | P6 | sing | 1.61Å | 1.62Å | |
| P6 | O7 | sing | 1.61Å | 1.56Å | |
| P6 | O8 | doub | 1.48Å | 1.62Å | |
| P6 | O9 | sing | 1.61Å | 1.53Å | |
| O7 | HOP6 | sing | 0.97Å | 0.95Å | |
| O9 | C12 | sing | 1.43Å | 1.44Å | |
| C11 | C12 | sing | 1.53Å | 1.61Å | |
| C11 | C13 | sing | 1.53Å | 1.58Å | |
| C11 | C14 | sing | 1.53Å | 1.52Å | |
| C11 | C10 | sing | 1.53Å | 1.69Å | |
| C12 | H121 | sing | 1.09Å | 1.11Å | |
| C12 | H122 | sing | 1.09Å | 1.11Å | |
| C13 | H131 | sing | 1.09Å | 1.12Å | |
| C13 | H132 | sing | 1.09Å | 1.12Å | |
| C13 | H133 | sing | 1.09Å | 1.12Å | |
| C14 | H141 | sing | 1.09Å | 1.12Å | |
| C14 | H142 | sing | 1.09Å | 1.12Å | |
| C14 | H143 | sing | 1.09Å | 1.11Å | |
| C10 | O10 | sing | 1.43Å | 1.49Å | |
| C10 | C9 | sing | 1.51Å | 1.60Å | |
| C10 | H10 | sing | 1.09Å | 1.12Å | |
| O10 | H10O | sing | 0.97Å | 0.95Å | |
| C9 | O39 | doub | 1.21Å | 1.34Å | |
| C9 | N8 | sing | 1.35Å | 1.34Å | |
| N8 | C7 | sing | 1.46Å | 1.51Å | |
| N8 | HN8 | sing | 0.97Å | 1.02Å | |
| C7 | C42 | sing | 1.53Å | 1.57Å | |
| C7 | H71 | sing | 1.09Å | 1.12Å | |
| C7 | H72 | sing | 1.09Å | 1.12Å | |
| C42 | C43 | sing | 1.51Å | 1.54Å | |
| C42 | H421 | sing | 1.09Å | 1.11Å | |
| C42 | H422 | sing | 1.09Å | 1.12Å | |
| C43 | O44 | doub | 1.21Å | 1.32Å | |
| C43 | N4 | sing | 1.35Å | 1.33Å | |
| N4 | C3 | sing | 1.46Å | 1.54Å | |
| N4 | HN4 | sing | 0.97Å | 1.02Å | |
| C3 | C47 | sing | 1.53Å | 1.51Å | |
| C3 | H31 | sing | 1.09Å | 1.12Å | |
| C3 | H2 | sing | 1.09Å | 1.11Å | |
| C47 | S1 | sing | 1.81Å | 1.87Å | |
| C47 | H471 | sing | 1.09Å | 1.11Å | |
| C47 | H472 | sing | 1.09Å | 1.12Å | |
| S1 | HS | sing | 1.34Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | CA | C | 112.3° | 120.0° |
| N | CA | CB | 112.4° | 120.0° |
| CA | N | HN1 | 112.3° | 119.9° |
| CA | N | HN2 | 111.1° | 120.1° |
| C | CA | CB | 113.2° | 120.0° |
| CA | C | O | 119.9° | 180.0° |
| CA | CB | O5 | 109.6° | 109.5° |
| CA | CB | HCB1 | 112.2° | 109.5° |
| CA | CB | HCB2 | 112.2° | 109.5° |
| HN1 | N | HN2 | 111.2° | 120.0° |
| O5 | CB | HCB1 | 112.1° | 109.4° |
| O5 | CB | HCB2 | 112.1° | 109.4° |
| CB | O5 | P6 | 118.4° | 106.9° |
| HCB1 | CB | HCB2 | 98.3° | 109.5° |
| O5 | P6 | O7 | 108.3° | 109.4° |
| O5 | P6 | O8 | 107.1° | 109.5° |
| O5 | P6 | O9 | 110.0° | 109.5° |
| O7 | P6 | O8 | 107.6° | 109.4° |
| O7 | P6 | O9 | 107.8° | 109.5° |
| P6 | O7 | HOP6 | 108.4° | 106.8° |
| O8 | P6 | O9 | 115.8° | 109.5° |
| P6 | O9 | C12 | 126.7° | 106.8° |
| O9 | C12 | C11 | 112.1° | 109.5° |
| O9 | C12 | H121 | 111.2° | 109.5° |
| O9 | C12 | H122 | 111.3° | 109.4° |
| C12 | C11 | C13 | 109.7° | 109.5° |
| C12 | C11 | C14 | 103.6° | 109.4° |
| C12 | C11 | C10 | 110.9° | 109.5° |
| C11 | C12 | H121 | 111.2° | 109.4° |
| C11 | C12 | H122 | 111.3° | 109.5° |
| C13 | C11 | C14 | 111.7° | 109.5° |
| C13 | C11 | C10 | 107.1° | 109.5° |
| C11 | C13 | H131 | 109.7° | 109.5° |
| C11 | C13 | H132 | 112.2° | 109.5° |
| C11 | C13 | H133 | 112.2° | 109.4° |
| C14 | C11 | C10 | 113.9° | 109.5° |
| C11 | C14 | H141 | 103.6° | 109.5° |
| C11 | C14 | H142 | 114.4° | 109.5° |
| C11 | C14 | H143 | 114.4° | 109.5° |
| C11 | C10 | O10 | 111.8° | 109.5° |
| C11 | C10 | C9 | 114.9° | 109.4° |
| C11 | C10 | H10 | 102.9° | 109.4° |
| H121 | C12 | H122 | 99.1° | 109.5° |
| H131 | C13 | H132 | 112.1° | 109.5° |
| H131 | C13 | H133 | 112.1° | 109.4° |
| H132 | C13 | H133 | 98.2° | 109.5° |
| H141 | C14 | H142 | 114.4° | 109.5° |
| H141 | C14 | H143 | 114.5° | 109.5° |
| H142 | C14 | H143 | 96.1° | 109.5° |
| O10 | C10 | C9 | 106.1° | 109.5° |
| O10 | C10 | H10 | 112.2° | 109.4° |
| C10 | O10 | H10O | 111.8° | 106.8° |
| C9 | C10 | H10 | 109.0° | 109.5° |
| C10 | C9 | O39 | 118.7° | 120.0° |
| C10 | C9 | N8 | 118.6° | 120.1° |
| O39 | C9 | N8 | 122.7° | 119.9° |
| C9 | N8 | C7 | 128.1° | 120.1° |
| C9 | N8 | HN8 | 109.0° | 119.9° |
| C7 | N8 | HN8 | 122.9° | 120.0° |
| N8 | C7 | C42 | 114.0° | 109.5° |
| N8 | C7 | H71 | 110.5° | 109.4° |
| N8 | C7 | H72 | 110.5° | 109.5° |
| C42 | C7 | H71 | 110.6° | 109.5° |
| C42 | C7 | H72 | 110.6° | 109.5° |
| C7 | C42 | C43 | 113.5° | 109.5° |
| C7 | C42 | H421 | 110.7° | 109.5° |
| C7 | C42 | H422 | 110.7° | 109.5° |
| H71 | C7 | H72 | 99.7° | 109.5° |
| C43 | C42 | H421 | 110.7° | 109.5° |
| C43 | C42 | H422 | 110.7° | 109.5° |
| C42 | C43 | O44 | 123.5° | 120.0° |
| C42 | C43 | N4 | 113.1° | 120.0° |
| H421 | C42 | H422 | 99.6° | 109.5° |
| O44 | C43 | N4 | 123.3° | 119.9° |
| C43 | N4 | C3 | 123.5° | 120.1° |
| C43 | N4 | HN4 | 110.5° | 120.0° |
| C3 | N4 | HN4 | 126.0° | 120.0° |
| N4 | C3 | C47 | 109.7° | 109.5° |
| N4 | C3 | H31 | 112.1° | 109.5° |
| N4 | C3 | H2 | 112.1° | 109.5° |
| C47 | C3 | H31 | 112.1° | 109.4° |
| C47 | C3 | H2 | 112.1° | 109.5° |
| C3 | C47 | S1 | 112.8° | 109.5° |
| C3 | C47 | H471 | 111.0° | 109.4° |
| C3 | C47 | H472 | 111.0° | 109.5° |
| H31 | C3 | H2 | 98.4° | 109.5° |
| S1 | C47 | H471 | 111.0° | 109.4° |
| S1 | C47 | H472 | 111.0° | 109.4° |
| C47 | S1 | HS | 112.8° | 100.0° |
| H471 | C47 | H472 | 99.3° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | CA | C | CB | 128.6° | 180.0° |
| CA | N | HN1 | HN2 | 125.2° | 179.9° |
| N | CA | C | O | 134.1° | 173.5° |
| N | CA | CB | O5 | 179.0° | 180.0° |
| N | CA | CB | HCB1 | 53.8° | 60.0° |
| N | CA | CB | HCB2 | 55.8° | 60.0° |
| C | CA | N | HN1 | 180.0° | 0.0° |
| C | CA | N | HN2 | 54.7° | 180.0° |
| C | CA | CB | O5 | 52.4° | 0.0° |
| C | CA | CB | HCB1 | 177.6° | 120.0° |
| C | CA | CB | HCB2 | 72.8° | 120.0° |
| CB | CA | N | HN1 | 50.9° | 180.0° |
| CB | CA | N | HN2 | 74.3° | 0.1° |
| CB | CA | C | O | 97.3° | 6.4° |
| CA | CB | O5 | HCB1 | 125.3° | 120.0° |
| CA | CB | O5 | HCB2 | 125.3° | 120.0° |
| CA | CB | HCB1 | HCB2 | 118.1° | 120.0° |
| CA | CB | O5 | P6 | 119.2° | 180.0° |
| O5 | CB | HCB1 | HCB2 | 118.0° | 120.0° |
| CB | O5 | P6 | O7 | 102.0° | 60.0° |
| CB | O5 | P6 | O8 | 13.9° | 59.9° |
| CB | O5 | P6 | O9 | 140.4° | 180.0° |
| HCB1 | CB | O5 | P6 | 6.1° | 60.0° |
| HCB2 | CB | O5 | P6 | 115.6° | 60.0° |
| O5 | P6 | O7 | O8 | 115.5° | 120.0° |
| O5 | P6 | O7 | O9 | 119.0° | 120.0° |
| O5 | P6 | O8 | O9 | 123.0° | 120.1° |
| O5 | P6 | O7 | HOP6 | 180.0° | 60.1° |
| O5 | P6 | O9 | C12 | 33.0° | 180.0° |
| O7 | P6 | O8 | O9 | 120.7° | 120.0° |
| O7 | P6 | O9 | C12 | 150.9° | 60.0° |
| O8 | P6 | O7 | HOP6 | 64.5° | 180.0° |
| O8 | P6 | O9 | C12 | 88.5° | 60.0° |
| O9 | P6 | O7 | HOP6 | 61.0° | 59.9° |
| P6 | O9 | C12 | C11 | 172.3° | 180.0° |
| P6 | O9 | C12 | H121 | 62.5° | 60.0° |
| P6 | O9 | C12 | H122 | 47.1° | 60.0° |
| O9 | C12 | C11 | H121 | 125.2° | 120.0° |
| O9 | C12 | C11 | H122 | 125.3° | 120.0° |
| O9 | C12 | C11 | C13 | 67.9° | 60.0° |
| O9 | C12 | C11 | C14 | 172.7° | 60.0° |
| O9 | C12 | C11 | C10 | 50.2° | 180.0° |
| O9 | C12 | H121 | H122 | 117.2° | 120.0° |
| C12 | C11 | C13 | C14 | 114.2° | 120.0° |
| C12 | C11 | C13 | C10 | 120.4° | 120.0° |
| C12 | C11 | C14 | C10 | 120.5° | 120.0° |
| C11 | C12 | H121 | H122 | 117.2° | 120.0° |
| C12 | C11 | C13 | H131 | 180.0° | 53.0° |
| C12 | C11 | C13 | H132 | 54.7° | 67.0° |
| C12 | C11 | C13 | H133 | 54.7° | 173.0° |
| C12 | C11 | C14 | H141 | 179.9° | 63.8° |
| C12 | C11 | C14 | H142 | 54.8° | 176.2° |
| C12 | C11 | C14 | H143 | 54.7° | 56.2° |
| C12 | C11 | C10 | O10 | 157.3° | 65.9° |
| C12 | C11 | C10 | C9 | 81.8° | 54.2° |
| C12 | C11 | C10 | H10 | 36.6° | 174.2° |
| C13 | C11 | C14 | C10 | 121.5° | 120.1° |
| C13 | C11 | C12 | H121 | 57.3° | 60.0° |
| C13 | C11 | C12 | H122 | 166.8° | 179.9° |
| C11 | C13 | H131 | H132 | 125.3° | 120.0° |
| C11 | C13 | H131 | H133 | 125.3° | 119.9° |
| C11 | C13 | H132 | H133 | 118.1° | 120.0° |
| C13 | C11 | C14 | H141 | 62.0° | 176.2° |
| C13 | C11 | C14 | H142 | 63.2° | 56.2° |
| C13 | C11 | C14 | H143 | 172.7° | 63.8° |
| C13 | C11 | C10 | O10 | 37.7° | 174.1° |
| C13 | C11 | C10 | C9 | 158.6° | 65.9° |
| C13 | C11 | C10 | H10 | 83.0° | 54.2° |
| C14 | C11 | C12 | H121 | 62.1° | 180.0° |
| C14 | C11 | C12 | H122 | 47.4° | 60.0° |
| C14 | C11 | C13 | H131 | 65.7° | 173.0° |
| C14 | C11 | C13 | H132 | 169.0° | 53.0° |
| C14 | C11 | C13 | H133 | 59.5° | 67.0° |
| C11 | C14 | H141 | H142 | 125.2° | 120.0° |
| C11 | C14 | H141 | H143 | 125.3° | 120.0° |
| C11 | C14 | H142 | H143 | 120.3° | 120.0° |
| C14 | C11 | C10 | O10 | 86.4° | 54.0° |
| C14 | C11 | C10 | C9 | 34.5° | 174.1° |
| C14 | C11 | C10 | H10 | 152.9° | 65.9° |
| C10 | C11 | C12 | H121 | 175.4° | 60.0° |
| C10 | C11 | C12 | H122 | 75.1° | 60.0° |
| C10 | C11 | C13 | H131 | 59.6° | 67.0° |
| C10 | C11 | C13 | H132 | 65.7° | 173.0° |
| C10 | C11 | C13 | H133 | 175.1° | 53.0° |
| C10 | C11 | C14 | H141 | 59.5° | 56.2° |
| C10 | C11 | C14 | H142 | 175.3° | 63.8° |
| C10 | C11 | C14 | H143 | 65.8° | 176.2° |
| C11 | C10 | O10 | C9 | 125.9° | 120.0° |
| C11 | C10 | O10 | H10 | 115.1° | 119.9° |
| C11 | C10 | C9 | H10 | 114.9° | 119.9° |
| C11 | C10 | O10 | H10O | 180.0° | 60.0° |
| C11 | C10 | C9 | O39 | 108.6° | 109.2° |
| C11 | C10 | C9 | N8 | 69.7° | 70.8° |
| H131 | C13 | H132 | H133 | 117.9° | 120.0° |
| H141 | C14 | H142 | H143 | 120.4° | 120.0° |
| O10 | C10 | C9 | H10 | 121.1° | 120.0° |
| O10 | C10 | C9 | O39 | 15.4° | 10.9° |
| O10 | C10 | C9 | N8 | 166.3° | 169.1° |
| C9 | C10 | O10 | H10O | 54.1° | 60.0° |
| C10 | C9 | O39 | N8 | 178.3° | 180.0° |
| C10 | C9 | N8 | C7 | 150.8° | 176.3° |
| C10 | C9 | N8 | HN8 | 29.2° | 3.7° |
| H10 | C10 | O10 | H10O | 64.9° | 179.9° |
| H10 | C10 | C9 | O39 | 136.5° | 130.9° |
| H10 | C10 | C9 | N8 | 45.2° | 49.1° |
| O39 | C9 | N8 | C7 | 30.9° | 3.7° |
| O39 | C9 | N8 | HN8 | 149.1° | 176.3° |
| C9 | N8 | C7 | HN8 | 180.0° | 180.0° |
| C9 | N8 | C7 | C42 | 39.5° | 180.0° |
| C9 | N8 | C7 | H71 | 164.8° | 60.0° |
| C9 | N8 | C7 | H72 | 85.8° | 60.0° |
| N8 | C7 | C42 | H71 | 125.2° | 120.0° |
| N8 | C7 | C42 | H72 | 125.3° | 120.0° |
| N8 | C7 | H71 | H72 | 116.4° | 120.0° |
| N8 | C7 | C42 | C43 | 84.9° | 180.0° |
| N8 | C7 | C42 | H421 | 149.8° | 60.0° |
| N8 | C7 | C42 | H422 | 40.3° | 60.0° |
| HN8 | N8 | C7 | C42 | 140.5° | 0.0° |
| HN8 | N8 | C7 | H71 | 15.2° | 120.0° |
| HN8 | N8 | C7 | H72 | 94.2° | 120.0° |
| C42 | C7 | H71 | H72 | 116.4° | 120.0° |
| C7 | C42 | C43 | H421 | 125.3° | 120.0° |
| C7 | C42 | C43 | H422 | 125.3° | 120.0° |
| C7 | C42 | H421 | H422 | 116.6° | 120.0° |
| C7 | C42 | C43 | O44 | 69.0° | 0.0° |
| C7 | C42 | C43 | N4 | 111.4° | 180.0° |
| H71 | C7 | C42 | C43 | 40.3° | 60.0° |
| H71 | C7 | C42 | H421 | 85.0° | 180.0° |
| H71 | C7 | C42 | H422 | 165.6° | 60.0° |
| H72 | C7 | C42 | C43 | 149.8° | 60.0° |
| H72 | C7 | C42 | H421 | 24.5° | 60.0° |
| H72 | C7 | C42 | H422 | 84.9° | 180.0° |
| C43 | C42 | H421 | H422 | 116.6° | 120.0° |
| C42 | C43 | O44 | N4 | 179.6° | 180.0° |
| C42 | C43 | N4 | C3 | 172.2° | 180.0° |
| C42 | C43 | N4 | HN4 | 7.8° | 0.0° |
| H421 | C42 | C43 | O44 | 56.3° | 120.0° |
| H421 | C42 | C43 | N4 | 123.4° | 60.0° |
| H422 | C42 | C43 | O44 | 165.8° | 120.0° |
| H422 | C42 | C43 | N4 | 13.9° | 60.0° |
| O44 | C43 | N4 | C3 | 8.1° | 0.0° |
| O44 | C43 | N4 | HN4 | 171.9° | 180.0° |
| C43 | N4 | C3 | HN4 | 180.0° | 180.0° |
| C43 | N4 | C3 | C47 | 176.5° | 180.0° |
| C43 | N4 | C3 | H31 | 51.3° | 60.1° |
| C43 | N4 | C3 | H2 | 58.3° | 59.9° |
| N4 | C3 | C47 | H31 | 125.2° | 120.0° |
| N4 | C3 | C47 | H2 | 125.3° | 120.0° |
| N4 | C3 | H31 | H2 | 118.0° | 120.0° |
| N4 | C3 | C47 | S1 | 178.8° | 180.0° |
| N4 | C3 | C47 | H471 | 56.0° | 60.0° |
| N4 | C3 | C47 | H472 | 53.5° | 60.0° |
| HN4 | N4 | C3 | C47 | 3.5° | 0.0° |
| HN4 | N4 | C3 | H31 | 128.7° | 120.0° |
| HN4 | N4 | C3 | H2 | 121.7° | 120.0° |
| C47 | C3 | H31 | H2 | 118.1° | 120.0° |
| C3 | C47 | S1 | H471 | 125.3° | 120.0° |
| C3 | C47 | S1 | H472 | 125.3° | 120.0° |
| C3 | C47 | H471 | H472 | 116.9° | 120.0° |
| C3 | C47 | S1 | HS | 180.0° | 180.0° |
| H31 | C3 | C47 | S1 | 53.5° | 60.0° |
| H31 | C3 | C47 | H471 | 178.8° | 180.0° |
| H31 | C3 | C47 | H472 | 71.7° | 60.0° |
| H2 | C3 | C47 | S1 | 56.0° | 60.0° |
| H2 | C3 | C47 | H471 | 69.3° | 60.0° |
| H2 | C3 | C47 | H472 | 178.7° | 180.0° |
| S1 | C47 | H471 | H472 | 116.8° | 120.0° |
| H471 | C47 | S1 | HS | 54.7° | 60.0° |
| H472 | C47 | S1 | HS | 54.7° | 60.0° |
