P4B
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O21 | C09 | sing | 1.43Å | 1.39Å | |
C09 | N08 | sing | 1.47Å | 1.46Å | |
C09 | C10 | sing | 1.53Å | 1.54Å | |
O07 | C05 | doub | 1.21Å | 1.25Å | |
N08 | C04 | sing | 1.47Å | 1.48Å | |
C05 | O06 | sing | 1.34Å | 1.29Å | |
C05 | C04 | sing | 1.51Å | 1.55Å | |
C04 | C03 | sing | 1.53Å | 1.57Å | |
C03 | C02 | sing | 1.53Å | 1.56Å | |
C02 | N01 | sing | 1.47Å | 1.45Å | |
C10 | H102 | sing | 1.09Å | 1.10Å | |
C10 | H101 | sing | 1.09Å | 1.10Å | |
C10 | H103 | sing | 1.09Å | 1.10Å | |
C02 | H021 | sing | 1.09Å | 1.10Å | |
C02 | H022 | sing | 1.09Å | 1.10Å | |
C03 | H032 | sing | 1.09Å | 1.10Å | |
C03 | H031 | sing | 1.09Å | 1.10Å | |
C04 | H041 | sing | 1.09Å | 1.10Å | |
C09 | H1 | sing | 1.09Å | 1.10Å | |
N01 | H2 | sing | 1.01Å | 1.00Å | |
N01 | H012 | sing | 1.01Å | 1.00Å | |
N08 | H3 | sing | 1.01Å | 1.00Å | |
O06 | H6 | sing | 0.97Å | 0.95Å | |
O21 | H211 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O21 | C09 | N08 | 103.8° | 109.5° |
O21 | C09 | C10 | 103.1° | 109.4° |
O21 | C09 | H1 | 113.8° | 109.5° |
C09 | O21 | H211 | 109.5° | 114.0° |
N08 | C09 | C10 | 111.8° | 109.5° |
C09 | N08 | C04 | 113.9° | 111.0° |
N08 | C09 | H1 | 112.5° | 109.5° |
C09 | N08 | H3 | 108.3° | 111.0° |
C09 | C10 | H102 | 109.5° | 109.5° |
C09 | C10 | H101 | 109.5° | 109.5° |
C09 | C10 | H103 | 109.5° | 109.5° |
C10 | C09 | H1 | 111.3° | 109.4° |
O07 | C05 | O06 | 119.6° | 120.0° |
O07 | C05 | C04 | 116.2° | 120.0° |
N08 | C04 | C05 | 106.1° | 109.4° |
N08 | C04 | C03 | 112.1° | 109.5° |
N08 | C04 | H041 | 109.8° | 109.5° |
C04 | N08 | H3 | 108.4° | 111.0° |
O06 | C05 | C04 | 124.2° | 120.0° |
C05 | O06 | H6 | 109.5° | 117.0° |
C05 | C04 | C03 | 111.2° | 109.4° |
C05 | C04 | H041 | 108.9° | 109.4° |
C04 | C03 | C02 | 118.0° | 109.4° |
C04 | C03 | H032 | 107.3° | 109.5° |
C04 | C03 | H031 | 107.3° | 109.5° |
C03 | C04 | H041 | 108.7° | 109.5° |
C03 | C02 | N01 | 106.2° | 109.5° |
C03 | C02 | H021 | 110.3° | 109.4° |
C03 | C02 | H022 | 110.3° | 109.5° |
C02 | C03 | H032 | 107.3° | 109.5° |
C02 | C03 | H031 | 107.3° | 109.4° |
N01 | C02 | H021 | 110.3° | 109.5° |
N01 | C02 | H022 | 110.3° | 109.5° |
C02 | N01 | H2 | 109.5° | 111.0° |
C02 | N01 | H012 | 109.5° | 111.0° |
H102 | C10 | H101 | 109.5° | 109.4° |
H102 | C10 | H103 | 109.5° | 109.4° |
H101 | C10 | H103 | 109.5° | 109.4° |
H021 | C02 | H022 | 109.5° | 109.5° |
H032 | C03 | H031 | 109.5° | 109.5° |
H2 | N01 | H012 | 109.5° | 111.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O21 | C09 | N08 | C10 | 110.5° | 120.0° |
O21 | C09 | N08 | H1 | 123.4° | 120.0° |
O21 | C09 | C10 | H1 | 122.3° | 119.9° |
O21 | C09 | N08 | C04 | 50.3° | 100.0° |
O21 | C09 | C10 | H102 | 180.0° | 60.0° |
O21 | C09 | C10 | H101 | 60.0° | 180.0° |
O21 | C09 | C10 | H103 | 60.0° | 60.0° |
O21 | C09 | N08 | H3 | 70.4° | 136.1° |
N08 | C09 | C10 | H1 | 126.8° | 120.1° |
C09 | N08 | C04 | H3 | 120.7° | 123.9° |
C09 | N08 | C04 | C05 | 91.5° | 85.0° |
C09 | N08 | C04 | C03 | 147.0° | 155.0° |
N08 | C09 | C10 | H102 | 69.1° | 60.0° |
N08 | C09 | C10 | H101 | 170.9° | 60.0° |
N08 | C09 | C10 | H103 | 50.9° | 180.0° |
C09 | N08 | C04 | H041 | 26.1° | 35.0° |
N08 | C09 | O21 | H211 | 0.1° | 179.9° |
C10 | C09 | N08 | C04 | 60.2° | 140.0° |
C09 | C10 | H102 | H101 | 120.0° | 120.0° |
C09 | C10 | H102 | H103 | 120.0° | 120.1° |
C09 | C10 | H101 | H103 | 120.0° | 120.1° |
C10 | C09 | N08 | H3 | 179.1° | 16.1° |
C10 | C09 | O21 | H211 | 116.6° | 59.9° |
O07 | C05 | C04 | N08 | 63.0° | 0.0° |
O07 | C05 | O06 | C04 | 178.0° | 180.0° |
O07 | C05 | C04 | C03 | 174.9° | 120.0° |
O07 | C05 | C04 | H041 | 55.2° | 120.0° |
O07 | C05 | O06 | H6 | 0.0° | 0.0° |
N08 | C04 | C05 | O06 | 115.1° | 180.0° |
N08 | C04 | C05 | C03 | 122.1° | 120.0° |
N08 | C04 | C05 | H041 | 118.2° | 120.0° |
N08 | C04 | C03 | H041 | 121.6° | 120.1° |
N08 | C04 | C03 | C02 | 69.5° | 65.1° |
N08 | C04 | C03 | H032 | 169.3° | 54.9° |
N08 | C04 | C03 | H031 | 51.8° | 175.0° |
C04 | N08 | C09 | H1 | 173.7° | 20.0° |
O06 | C05 | C04 | C03 | 7.0° | 60.0° |
O06 | C05 | C04 | H041 | 126.7° | 60.0° |
C05 | C04 | C03 | H041 | 119.8° | 120.0° |
C05 | C04 | C03 | C02 | 172.0° | 175.0° |
C05 | C04 | C03 | H032 | 50.7° | 65.0° |
C05 | C04 | C03 | H031 | 66.8° | 55.0° |
C05 | C04 | N08 | H3 | 29.2° | 38.9° |
C04 | C05 | O06 | H6 | 178.0° | 180.0° |
C04 | C03 | C02 | H032 | 121.2° | 120.0° |
C04 | C03 | C02 | H031 | 121.2° | 120.0° |
C04 | C03 | C02 | N01 | 179.4° | 180.0° |
C04 | C03 | C02 | H021 | 61.1° | 60.0° |
C04 | C03 | C02 | H022 | 59.9° | 59.9° |
C04 | C03 | H032 | H031 | 116.1° | 120.1° |
C03 | C04 | N08 | H3 | 92.4° | 81.0° |
C03 | C02 | N01 | H021 | 119.5° | 119.9° |
C03 | C02 | N01 | H022 | 119.5° | 120.0° |
C03 | C02 | H021 | H022 | 121.5° | 120.0° |
C02 | C03 | H032 | H031 | 116.2° | 120.0° |
C02 | C03 | C04 | H041 | 52.1° | 55.0° |
C03 | C02 | N01 | H2 | 180.0° | 56.0° |
C03 | C02 | N01 | H012 | 60.0° | 180.0° |
N01 | C02 | H021 | H022 | 121.5° | 120.1° |
N01 | C02 | C03 | H032 | 58.2° | 60.0° |
N01 | C02 | C03 | H031 | 59.4° | 60.0° |
C02 | N01 | H2 | H012 | 120.0° | 123.9° |
H102 | C10 | H101 | H103 | 120.0° | 119.9° |
H102 | C10 | C09 | H1 | 57.7° | 180.0° |
H101 | C10 | C09 | H1 | 62.4° | 60.0° |
H103 | C10 | C09 | H1 | 177.7° | 60.0° |
H021 | C02 | C03 | H032 | 177.7° | 60.0° |
H021 | C02 | C03 | H031 | 60.1° | 180.0° |
H021 | C02 | N01 | H2 | 60.5° | 63.9° |
H021 | C02 | N01 | H012 | 179.5° | 60.0° |
H022 | C02 | C03 | H032 | 61.3° | 179.9° |
H022 | C02 | C03 | H031 | 178.9° | 60.1° |
H022 | C02 | N01 | H2 | 60.5° | 176.0° |
H022 | C02 | N01 | H012 | 59.5° | 60.0° |
H032 | C03 | C04 | H041 | 69.1° | 175.0° |
H031 | C03 | C04 | H041 | 173.3° | 64.9° |
H041 | C04 | N08 | H3 | 146.7° | 158.9° |
H1 | C09 | N08 | H3 | 53.0° | 103.9° |
H1 | C09 | O21 | H211 | 122.8° | 60.0° |