NDN
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
P | OP1 | doub | 1.48Å | 1.51Å | |
P | OP2 | sing | 1.61Å | 1.50Å | |
OP3 | HOP3 | sing | 0.97Å | 0.95Å | |
OP2 | HOP2 | sing | 0.97Å | 0.95Å | |
OP3 | P | sing | 1.61Å | 1.50Å | |
OR5 | P | sing | 1.61Å | 1.59Å | |
CR5 | OR5 | sing | 1.43Å | 1.39Å | |
CR5 | CR4 | sing | 1.53Å | 1.51Å | |
CR5 | HR5 | sing | 1.09Å | 1.10Å | |
CR5 | HR5A | sing | 1.09Å | 1.10Å | |
CR4 | CR3 | sing | 1.54Å | 1.52Å | |
CR4 | HR4 | sing | 1.09Å | 1.10Å | |
CR3 | CR2 | sing | 1.55Å | 1.54Å | |
CR3 | OR3 | sing | 1.43Å | 1.40Å | |
CR3 | HR3 | sing | 1.09Å | 1.10Å | |
OR3 | HOR3 | sing | 0.97Å | 0.95Å | |
CR2 | HR2 | sing | 1.09Å | 1.10Å | |
CR2 | HR2A | sing | 1.09Å | 1.10Å | |
CR1 | CR2 | sing | 1.55Å | 1.57Å | |
CR1 | HR1 | sing | 1.09Å | 1.10Å | |
OR1 | CR4 | sing | 1.44Å | 1.42Å | |
OR1 | CR1 | sing | 1.44Å | 1.44Å | |
N1 | CR1 | sing | 1.47Å | 1.53Å | |
N1 | C2 | sing | 1.34Å | 1.39Å | |
C2 | O2 | doub | 1.22Å | 1.16Å | |
N3 | C2 | sing | 1.35Å | 1.40Å | |
N3 | HN3 | sing | 0.97Å | 1.00Å | |
C4 | N3 | sing | 1.35Å | 1.39Å | |
O4 | C4 | doub | 1.22Å | 1.22Å | |
C5 | C4 | sing | 1.42Å | 1.55Å | |
C5 | C6 | doub | 1.35Å | 1.54Å | |
C6 | N1 | sing | 1.37Å | 1.53Å | |
C6 | H6 | sing | 1.08Å | 1.08Å | |
N5 | C5 | sing | 1.48Å | 1.31Å | |
O51 | N5 | doub | 1.22Å | 1.25Å | |
O52 | N5 | sing | 1.22Å | 1.24Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OP1 | P | OP2 | 111.8° | 109.5° |
OP1 | P | OP3 | 115.6° | 109.5° |
OP1 | P | OR5 | 102.7° | 109.4° |
P | OP2 | HOP2 | 109.5° | 114.0° |
OP2 | P | OP3 | 117.7° | 109.5° |
OP2 | P | OR5 | 103.8° | 109.5° |
HOP3 | OP3 | P | 109.5° | 114.0° |
OP3 | P | OR5 | 102.7° | 109.5° |
P | OR5 | CR5 | 136.7° | 123.0° |
OR5 | CR5 | CR4 | 109.3° | 109.4° |
OR5 | CR5 | HR5 | 109.5° | 109.5° |
OR5 | CR5 | HR5A | 109.5° | 109.5° |
CR4 | CR5 | HR5 | 109.5° | 109.5° |
CR4 | CR5 | HR5A | 109.6° | 109.5° |
CR5 | CR4 | CR3 | 122.9° | 110.3° |
CR5 | CR4 | HR4 | 97.5° | 110.3° |
CR5 | CR4 | OR1 | 109.8° | 110.4° |
HR5 | CR5 | HR5A | 109.4° | 109.5° |
CR3 | CR4 | HR4 | 105.4° | 110.4° |
CR4 | CR3 | CR2 | 103.3° | 104.1° |
CR4 | CR3 | OR3 | 113.4° | 110.5° |
CR4 | CR3 | HR3 | 111.5° | 110.6° |
CR3 | CR4 | OR1 | 102.7° | 104.8° |
HR4 | CR4 | OR1 | 119.7° | 110.5° |
CR2 | CR3 | OR3 | 110.8° | 110.5° |
CR2 | CR3 | HR3 | 114.1° | 110.5° |
CR3 | CR2 | HR2 | 113.2° | 110.5° |
CR3 | CR2 | HR2A | 115.3° | 110.5° |
CR3 | CR2 | CR1 | 98.9° | 104.0° |
OR3 | CR3 | HR3 | 104.1° | 110.6° |
CR3 | OR3 | HOR3 | 109.5° | 114.0° |
HR2 | CR2 | HR2A | 101.6° | 110.5° |
HR2 | CR2 | CR1 | 113.2° | 110.5° |
HR2A | CR2 | CR1 | 115.3° | 110.6° |
CR2 | CR1 | HR1 | 116.1° | 110.4° |
CR2 | CR1 | OR1 | 106.0° | 104.8° |
CR2 | CR1 | N1 | 111.9° | 110.4° |
HR1 | CR1 | OR1 | 104.0° | 110.3° |
HR1 | CR1 | N1 | 96.9° | 110.4° |
CR4 | OR1 | CR1 | 111.5° | 105.3° |
OR1 | CR1 | N1 | 122.1° | 110.4° |
CR1 | N1 | C2 | 127.3° | 119.7° |
CR1 | N1 | C6 | 105.1° | 119.6° |
N1 | C2 | O2 | 120.7° | 119.6° |
N1 | C2 | N3 | 117.9° | 120.9° |
C2 | N1 | C6 | 119.5° | 120.6° |
O2 | C2 | N3 | 121.4° | 119.5° |
C2 | N3 | HN3 | 116.7° | 119.9° |
C2 | N3 | C4 | 126.6° | 120.3° |
HN3 | N3 | C4 | 116.7° | 119.8° |
N3 | C4 | O4 | 124.1° | 120.3° |
N3 | C4 | C5 | 116.1° | 119.3° |
O4 | C4 | C5 | 119.8° | 120.4° |
C4 | C5 | C6 | 115.5° | 119.2° |
C4 | C5 | N5 | 127.0° | 120.4° |
C5 | C6 | N1 | 117.2° | 119.6° |
C5 | C6 | H6 | 121.4° | 120.2° |
C6 | C5 | N5 | 116.0° | 120.4° |
N1 | C6 | H6 | 121.4° | 120.2° |
C5 | N5 | O51 | 121.8° | 120.0° |
C5 | N5 | O52 | 125.3° | 120.0° |
O51 | N5 | O52 | 112.9° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OP1 | P | OP2 | OP3 | 137.3° | 120.0° |
OP1 | P | OP2 | OR5 | 110.0° | 120.0° |
OP1 | P | OP3 | HOP3 | 137.0° | 180.0° |
OP1 | P | OP2 | HOP2 | 27.8° | 60.0° |
OP1 | P | OP3 | OR5 | 111.0° | 120.0° |
OP1 | P | OR5 | CR5 | 178.0° | 55.0° |
OP2 | P | OP3 | HOP3 | 1.3° | 60.0° |
OP2 | P | OP3 | OR5 | 113.2° | 120.0° |
OP2 | P | OR5 | CR5 | 61.4° | 175.0° |
HOP3 | OP3 | P | OR5 | 111.9° | 60.0° |
HOP2 | OP2 | P | OP3 | 165.1° | 60.0° |
HOP2 | OP2 | P | OR5 | 82.3° | 180.0° |
OP3 | P | OR5 | CR5 | 61.6° | 65.0° |
P | OR5 | CR5 | CR4 | 131.3° | 180.0° |
P | OR5 | CR5 | HR5 | 108.7° | 60.0° |
P | OR5 | CR5 | HR5A | 11.2° | 60.0° |
OR5 | CR5 | CR4 | HR5 | 120.0° | 120.0° |
OR5 | CR5 | CR4 | HR5A | 120.1° | 120.0° |
OR5 | CR5 | HR5 | HR5A | 120.1° | 120.0° |
OR5 | CR5 | CR4 | CR3 | 64.5° | 175.0° |
OR5 | CR5 | CR4 | HR4 | 49.4° | 52.8° |
OR5 | CR5 | CR4 | OR1 | 174.7° | 69.6° |
CR4 | CR5 | HR5 | HR5A | 120.1° | 120.0° |
CR5 | CR4 | CR3 | HR4 | 109.9° | 122.2° |
CR5 | CR4 | CR3 | OR1 | 124.1° | 118.8° |
CR5 | CR4 | HR4 | OR1 | 118.0° | 122.3° |
CR5 | CR4 | CR3 | CR2 | 83.9° | 142.8° |
CR5 | CR4 | CR3 | OR3 | 156.1° | 98.5° |
CR5 | CR4 | CR3 | HR3 | 39.0° | 24.2° |
CR5 | CR4 | OR1 | CR1 | 108.3° | 159.3° |
HR5 | CR5 | CR4 | CR3 | 175.5° | 65.0° |
HR5 | CR5 | CR4 | HR4 | 70.6° | 172.8° |
HR5 | CR5 | CR4 | OR1 | 54.8° | 50.4° |
HR5A | CR5 | CR4 | CR3 | 55.6° | 55.0° |
HR5A | CR5 | CR4 | HR4 | 169.4° | 67.2° |
HR5A | CR5 | CR4 | OR1 | 65.2° | 170.4° |
CR3 | CR4 | HR4 | OR1 | 114.8° | 115.5° |
CR4 | CR3 | CR2 | OR3 | 121.7° | 118.6° |
CR4 | CR3 | CR2 | HR3 | 121.2° | 118.7° |
CR4 | CR3 | OR3 | HR3 | 121.4° | 122.8° |
CR4 | CR3 | OR3 | HOR3 | 13.6° | 179.9° |
CR4 | CR3 | CR2 | HR2 | 80.6° | 118.6° |
CR4 | CR3 | CR2 | HR2A | 163.0° | 118.7° |
CR4 | CR3 | CR2 | CR1 | 39.4° | 0.0° |
CR3 | CR4 | OR1 | CR1 | 24.0° | 40.5° |
HR4 | CR4 | CR3 | CR2 | 166.2° | 95.0° |
HR4 | CR4 | CR3 | OR3 | 46.2° | 23.7° |
HR4 | CR4 | CR3 | HR3 | 70.9° | 146.4° |
HR4 | CR4 | OR1 | CR1 | 140.2° | 78.4° |
CR2 | CR3 | OR3 | HR3 | 123.0° | 122.6° |
CR2 | CR3 | OR3 | HOR3 | 129.2° | 65.3° |
CR3 | CR2 | HR2 | HR2A | 124.2° | 122.6° |
CR3 | CR2 | HR2 | CR1 | 111.5° | 114.6° |
CR3 | CR2 | HR2A | CR1 | 114.4° | 114.6° |
CR3 | CR2 | CR1 | HR1 | 89.4° | 94.8° |
CR2 | CR3 | CR4 | OR1 | 40.1° | 24.0° |
CR3 | CR2 | CR1 | OR1 | 25.4° | 24.0° |
CR3 | CR2 | CR1 | N1 | 160.7° | 142.9° |
OR3 | CR3 | CR2 | HR2 | 157.7° | 122.8° |
OR3 | CR3 | CR2 | HR2A | 41.2° | 0.1° |
OR3 | CR3 | CR2 | CR1 | 82.3° | 118.6° |
OR3 | CR3 | CR4 | OR1 | 79.8° | 142.6° |
HR3 | CR3 | OR3 | HOR3 | 107.7° | 57.3° |
HR3 | CR3 | CR2 | HR2 | 40.6° | 0.1° |
HR3 | CR3 | CR2 | HR2A | 75.8° | 122.6° |
HR3 | CR3 | CR2 | CR1 | 160.6° | 118.7° |
HR3 | CR3 | CR4 | OR1 | 163.0° | 94.6° |
HR2 | CR2 | HR2A | CR1 | 122.8° | 122.7° |
HR2 | CR2 | CR1 | HR1 | 150.6° | 146.5° |
HR2 | CR2 | CR1 | OR1 | 94.6° | 94.6° |
HR2 | CR2 | CR1 | N1 | 40.7° | 24.3° |
HR2A | CR2 | CR1 | HR1 | 34.2° | 23.8° |
HR2A | CR2 | CR1 | OR1 | 149.0° | 142.6° |
HR2A | CR2 | CR1 | N1 | 75.8° | 98.5° |
CR2 | CR1 | HR1 | OR1 | 116.0° | 115.4° |
CR2 | CR1 | HR1 | N1 | 118.5° | 122.3° |
CR2 | CR1 | OR1 | CR4 | 1.4° | 40.5° |
CR2 | CR1 | OR1 | N1 | 129.6° | 118.9° |
CR2 | CR1 | N1 | C2 | 81.2° | 65.0° |
CR2 | CR1 | N1 | C6 | 131.1° | 114.7° |
HR1 | CR1 | OR1 | CR4 | 121.4° | 78.3° |
HR1 | CR1 | OR1 | N1 | 107.6° | 122.3° |
HR1 | CR1 | N1 | C2 | 40.5° | 172.7° |
HR1 | CR1 | N1 | C6 | 107.2° | 7.6° |
CR4 | OR1 | CR1 | N1 | 131.0° | 159.4° |
OR1 | CR1 | N1 | C2 | 151.8° | 50.5° |
OR1 | CR1 | N1 | C6 | 4.1° | 129.9° |
CR1 | N1 | C2 | C6 | 143.6° | 179.7° |
CR1 | N1 | C2 | O2 | 11.8° | 0.0° |
CR1 | N1 | C2 | N3 | 168.4° | 179.9° |
CR1 | N1 | C6 | C5 | 172.1° | 179.8° |
CR1 | N1 | C6 | H6 | 7.9° | 0.3° |
N1 | C2 | O2 | N3 | 179.8° | 179.9° |
N1 | C2 | N3 | HN3 | 153.2° | 180.0° |
N1 | C2 | N3 | C4 | 26.8° | 0.1° |
C2 | N1 | C6 | C5 | 21.4° | 0.6° |
C2 | N1 | C6 | H6 | 158.6° | 180.0° |
O2 | C2 | N3 | HN3 | 26.6° | 0.1° |
O2 | C2 | N3 | C4 | 153.4° | 180.0° |
O2 | C2 | N1 | C6 | 155.4° | 179.7° |
C2 | N3 | HN3 | C4 | 180.0° | 179.9° |
C2 | N3 | C4 | O4 | 157.3° | 180.0° |
C2 | N3 | C4 | C5 | 22.3° | 0.0° |
N3 | C2 | N1 | C6 | 24.8° | 0.2° |
HN3 | N3 | C4 | O4 | 22.7° | 0.0° |
HN3 | N3 | C4 | C5 | 157.7° | 180.0° |
N3 | C4 | O4 | C5 | 179.6° | 180.0° |
N3 | C4 | C5 | C6 | 16.5° | 0.3° |
N3 | C4 | C5 | N5 | 178.4° | 180.0° |
O4 | C4 | C5 | C6 | 163.1° | 179.7° |
O4 | C4 | C5 | N5 | 1.9° | 0.0° |
C4 | C5 | C6 | N5 | 166.7° | 179.7° |
C4 | C5 | C6 | N1 | 16.7° | 0.6° |
C4 | C5 | C6 | H6 | 163.3° | 180.0° |
C4 | C5 | N5 | O51 | 17.4° | 180.0° |
C4 | C5 | N5 | O52 | 161.7° | 0.1° |
C5 | C6 | N1 | H6 | 180.0° | 179.4° |
C6 | C5 | N5 | O51 | 177.6° | 0.3° |
C6 | C5 | N5 | O52 | 3.3° | 179.7° |
N1 | C6 | C5 | N5 | 176.5° | 179.7° |
H6 | C6 | C5 | N5 | 3.5° | 0.3° |
C5 | N5 | O51 | O52 | 179.2° | 179.9° |