P2L
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O32 | C31 | doub | 1.22Å | 1.23Å | |
CL1 | C33 | sing | 1.74Å | 1.73Å | |
C31 | C33 | sing | 1.40Å | 1.44Å | |
C31 | N26 | sing | 1.35Å | 1.37Å | |
C33 | C22 | doub | 1.38Å | 1.38Å | |
C27 | N26 | sing | 1.47Å | 1.46Å | |
N26 | N25 | sing | 1.40Å | 1.36Å | |
C22 | N20 | sing | 1.39Å | 1.34Å | |
C22 | C23 | sing | 1.41Å | 1.44Å | |
N20 | C15 | sing | 1.46Å | 1.46Å | |
N25 | C23 | doub | 1.30Å | 1.29Å | |
C12 | C15 | sing | 1.53Å | 1.51Å | |
C12 | C09 | sing | 1.53Å | 1.52Å | |
C15 | C17 | sing | 1.53Å | 1.51Å | |
C09 | C06 | sing | 1.53Å | 1.51Å | |
C17 | N05 | sing | 1.47Å | 1.47Å | |
C06 | N05 | sing | 1.47Å | 1.47Å | |
N05 | C01 | sing | 1.47Å | 1.47Å | |
C15 | H1 | sing | 1.09Å | 1.10Å | |
C17 | H2 | sing | 1.09Å | 1.10Å | |
C17 | H3 | sing | 1.09Å | 1.10Å | |
C01 | H4 | sing | 1.09Å | 1.10Å | |
C01 | H5 | sing | 1.09Å | 1.10Å | |
C01 | H6 | sing | 1.09Å | 1.10Å | |
C06 | H8 | sing | 1.09Å | 1.10Å | |
C06 | H9 | sing | 1.09Å | 1.10Å | |
C09 | H10 | sing | 1.09Å | 1.10Å | |
C09 | H11 | sing | 1.09Å | 1.10Å | |
C12 | H12 | sing | 1.09Å | 1.10Å | |
C12 | H13 | sing | 1.09Å | 1.10Å | |
C23 | H14 | sing | 1.08Å | 1.08Å | |
C27 | H15 | sing | 1.09Å | 1.10Å | |
C27 | H16 | sing | 1.09Å | 1.10Å | |
C27 | H17 | sing | 1.09Å | 1.10Å | |
N20 | H7 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O32 | C31 | C33 | 124.7° | 120.2° |
O32 | C31 | N26 | 121.2° | 120.3° |
CL1 | C33 | C31 | 116.2° | 120.5° |
CL1 | C33 | C22 | 120.9° | 120.5° |
C33 | C31 | N26 | 114.1° | 119.5° |
C31 | C33 | C22 | 122.9° | 119.0° |
C31 | N26 | C27 | 119.6° | 119.7° |
C31 | N26 | N25 | 125.6° | 120.6° |
C33 | C22 | N20 | 124.4° | 120.3° |
C33 | C22 | C23 | 114.6° | 119.4° |
C27 | N26 | N25 | 114.8° | 119.8° |
N26 | C27 | H15 | 109.5° | 109.5° |
N26 | C27 | H16 | 109.5° | 109.5° |
N26 | C27 | H17 | 109.5° | 109.5° |
N26 | N25 | C23 | 117.9° | 121.1° |
N20 | C22 | C23 | 120.9° | 120.3° |
C22 | N20 | C15 | 125.8° | 120.0° |
C22 | N20 | H7 | 105.3° | 120.0° |
C22 | C23 | N25 | 124.9° | 120.4° |
C22 | C23 | H14 | 117.6° | 119.8° |
N20 | C15 | C12 | 112.6° | 109.5° |
N20 | C15 | C17 | 109.4° | 109.5° |
N20 | C15 | H1 | 108.4° | 109.5° |
C15 | N20 | H7 | 105.3° | 120.0° |
N25 | C23 | H14 | 117.6° | 119.8° |
C15 | C12 | C09 | 110.2° | 109.2° |
C12 | C15 | C17 | 110.8° | 109.3° |
C12 | C15 | H1 | 107.7° | 109.5° |
C15 | C12 | H12 | 109.3° | 109.6° |
C15 | C12 | H13 | 109.3° | 109.5° |
C12 | C09 | C06 | 110.6° | 109.2° |
C12 | C09 | H10 | 109.2° | 109.5° |
C12 | C09 | H11 | 109.2° | 109.5° |
C09 | C12 | H12 | 109.3° | 109.5° |
C09 | C12 | H13 | 109.3° | 109.5° |
C15 | C17 | N05 | 109.7° | 109.5° |
C17 | C15 | H1 | 107.8° | 109.5° |
C15 | C17 | H2 | 109.4° | 109.5° |
C15 | C17 | H3 | 109.4° | 109.5° |
C09 | C06 | N05 | 110.4° | 109.5° |
C09 | C06 | H8 | 109.2° | 109.4° |
C09 | C06 | H9 | 109.2° | 109.4° |
C06 | C09 | H10 | 109.2° | 109.5° |
C06 | C09 | H11 | 109.2° | 109.5° |
C17 | N05 | C06 | 110.1° | 111.2° |
C17 | N05 | C01 | 110.4° | 111.0° |
N05 | C17 | H2 | 109.4° | 109.5° |
N05 | C17 | H3 | 109.4° | 109.4° |
C06 | N05 | C01 | 110.6° | 111.0° |
N05 | C06 | H8 | 109.2° | 109.5° |
N05 | C06 | H9 | 109.2° | 109.5° |
N05 | C01 | H4 | 109.5° | 109.5° |
N05 | C01 | H5 | 109.5° | 109.5° |
N05 | C01 | H6 | 109.5° | 109.5° |
H2 | C17 | H3 | 109.5° | 109.5° |
H4 | C01 | H5 | 109.4° | 109.5° |
H4 | C01 | H6 | 109.5° | 109.5° |
H5 | C01 | H6 | 109.5° | 109.4° |
H8 | C06 | H9 | 109.5° | 109.5° |
H10 | C09 | H11 | 109.5° | 109.5° |
H12 | C12 | H13 | 109.5° | 109.6° |
H15 | C27 | H16 | 109.5° | 109.4° |
H15 | C27 | H17 | 109.4° | 109.5° |
H16 | C27 | H17 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O32 | C31 | C33 | CL1 | 1.2° | 0.5° |
O32 | C31 | C33 | N26 | 179.2° | 179.5° |
O32 | C31 | C33 | C22 | 178.7° | 179.9° |
O32 | C31 | N26 | C27 | 0.5° | 0.3° |
O32 | C31 | N26 | N25 | 179.1° | 179.7° |
CL1 | C33 | C31 | C22 | 179.8° | 179.6° |
CL1 | C33 | C31 | N26 | 179.6° | 180.0° |
CL1 | C33 | C22 | N20 | 0.5° | 0.2° |
CL1 | C33 | C22 | C23 | 179.3° | 180.0° |
C33 | C31 | N26 | C27 | 179.8° | 179.7° |
C33 | C31 | N26 | N25 | 0.1° | 0.2° |
C31 | C33 | C22 | N20 | 179.4° | 179.8° |
C31 | C33 | C22 | C23 | 0.9° | 0.5° |
N26 | C31 | C33 | C22 | 0.5° | 0.5° |
C31 | N26 | C27 | N25 | 179.7° | 180.0° |
C31 | N26 | N25 | C23 | 0.1° | 0.0° |
C31 | N26 | C27 | H15 | 179.7° | 180.0° |
C31 | N26 | C27 | H16 | 59.7° | 60.0° |
C31 | N26 | C27 | H17 | 60.3° | 60.0° |
C33 | C22 | N20 | C23 | 179.7° | 179.7° |
C33 | C22 | N20 | C15 | 177.3° | 179.7° |
C33 | C22 | C23 | N25 | 0.9° | 0.2° |
C33 | C22 | C23 | H14 | 179.1° | 179.8° |
C33 | C22 | N20 | H7 | 60.5° | 0.3° |
C27 | N26 | N25 | C23 | 179.8° | 180.0° |
N26 | C27 | H15 | H16 | 120.0° | 120.0° |
N26 | C27 | H15 | H17 | 120.0° | 120.0° |
N26 | C27 | H16 | H17 | 120.0° | 120.0° |
N26 | N25 | C23 | C22 | 0.5° | 0.0° |
N26 | N25 | C23 | H14 | 179.5° | 179.9° |
N25 | N26 | C27 | H15 | 0.0° | 0.0° |
N25 | N26 | C27 | H16 | 120.0° | 120.0° |
N25 | N26 | C27 | H17 | 120.0° | 120.0° |
C22 | N20 | C15 | H7 | 122.2° | 180.0° |
N20 | C22 | C23 | N25 | 179.4° | 180.0° |
C22 | N20 | C15 | C12 | 140.3° | 155.2° |
C22 | N20 | C15 | C17 | 96.1° | 85.0° |
C22 | N20 | C15 | H1 | 21.2° | 35.1° |
N20 | C22 | C23 | H14 | 0.6° | 0.1° |
C23 | C22 | N20 | C15 | 3.0° | 0.0° |
C22 | C23 | N25 | H14 | 180.0° | 179.9° |
C23 | C22 | N20 | H7 | 119.2° | 180.0° |
N20 | C15 | C12 | C17 | 122.8° | 119.9° |
N20 | C15 | C12 | H1 | 119.5° | 120.1° |
N20 | C15 | C12 | C09 | 177.0° | 177.6° |
N20 | C15 | C17 | H1 | 117.7° | 120.1° |
N20 | C15 | C17 | N05 | 176.7° | 179.1° |
N20 | C15 | C17 | H2 | 56.7° | 60.8° |
N20 | C15 | C17 | H3 | 63.3° | 59.2° |
N20 | C15 | C12 | H12 | 56.9° | 57.7° |
N20 | C15 | C12 | H13 | 62.9° | 62.5° |
C15 | C12 | C09 | H12 | 120.1° | 119.9° |
C15 | C12 | C09 | H13 | 120.1° | 119.9° |
C12 | C15 | C17 | H1 | 117.7° | 119.9° |
C15 | C12 | C09 | C06 | 53.2° | 57.7° |
C12 | C15 | C17 | N05 | 58.6° | 59.2° |
C12 | C15 | C17 | H2 | 178.7° | 179.2° |
C12 | C15 | C17 | H3 | 61.4° | 60.8° |
C15 | C12 | C09 | H10 | 173.3° | 62.3° |
C15 | C12 | C09 | H11 | 67.0° | 177.6° |
C15 | C12 | H12 | H13 | 119.7° | 120.2° |
C12 | C15 | N20 | H7 | 97.5° | 24.8° |
C09 | C12 | C15 | C17 | 54.2° | 57.7° |
C12 | C09 | C06 | H10 | 120.1° | 119.9° |
C12 | C09 | C06 | H11 | 120.2° | 119.9° |
C12 | C09 | C06 | N05 | 57.0° | 59.2° |
C09 | C12 | C15 | H1 | 63.5° | 62.2° |
C12 | C09 | C06 | H8 | 63.1° | 179.2° |
C12 | C09 | C06 | H9 | 177.2° | 60.9° |
C12 | C09 | H10 | H11 | 119.5° | 120.1° |
C09 | C12 | H12 | H13 | 119.7° | 120.1° |
C15 | C17 | N05 | H2 | 120.0° | 120.1° |
C15 | C17 | N05 | H3 | 120.0° | 120.0° |
C15 | C17 | N05 | C06 | 62.2° | 61.7° |
C15 | C17 | N05 | C01 | 175.4° | 174.2° |
C15 | C17 | H2 | H3 | 119.9° | 120.0° |
C17 | C15 | C12 | H12 | 65.9° | 62.2° |
C17 | C15 | C12 | H13 | 174.3° | 177.5° |
C17 | C15 | N20 | H7 | 26.1° | 95.0° |
C09 | C06 | N05 | C17 | 61.6° | 61.7° |
C09 | C06 | N05 | H8 | 120.2° | 120.0° |
C09 | C06 | N05 | H9 | 120.1° | 120.0° |
C09 | C06 | N05 | C01 | 176.1° | 174.1° |
C09 | C06 | H8 | H9 | 119.6° | 119.9° |
C06 | C09 | H10 | H11 | 119.5° | 120.1° |
C06 | C09 | C12 | H12 | 66.9° | 62.3° |
C06 | C09 | C12 | H13 | 173.3° | 177.5° |
C17 | N05 | C06 | C01 | 122.3° | 124.1° |
N05 | C17 | C15 | H1 | 59.0° | 60.8° |
N05 | C17 | H2 | H3 | 119.9° | 119.9° |
C17 | N05 | C01 | H4 | 180.0° | 60.0° |
C17 | N05 | C01 | H5 | 60.0° | 179.9° |
C17 | N05 | C01 | H6 | 60.0° | 60.0° |
C17 | N05 | C06 | H8 | 58.5° | 178.3° |
C17 | N05 | C06 | H9 | 178.2° | 58.3° |
C06 | N05 | C17 | H2 | 177.8° | 178.2° |
C06 | N05 | C17 | H3 | 57.9° | 58.2° |
C06 | N05 | C01 | H4 | 57.9° | 64.2° |
C06 | N05 | C01 | H5 | 177.9° | 55.8° |
C06 | N05 | C01 | H6 | 62.1° | 175.8° |
N05 | C06 | H8 | H9 | 119.6° | 120.0° |
N05 | C06 | C09 | H10 | 177.2° | 60.7° |
N05 | C06 | C09 | H11 | 63.2° | 179.1° |
C01 | N05 | C17 | H2 | 55.4° | 54.1° |
C01 | N05 | C17 | H3 | 64.6° | 65.9° |
N05 | C01 | H4 | H5 | 120.0° | 120.0° |
N05 | C01 | H4 | H6 | 120.1° | 120.0° |
N05 | C01 | H5 | H6 | 120.0° | 120.0° |
C01 | N05 | C06 | H8 | 63.8° | 54.2° |
C01 | N05 | C06 | H9 | 55.9° | 65.9° |
H1 | C15 | C17 | H2 | 61.0° | 59.3° |
H1 | C15 | C17 | H3 | 179.1° | 179.3° |
H1 | C15 | C12 | H12 | 176.4° | 177.9° |
H1 | C15 | C12 | H13 | 56.6° | 57.6° |
H1 | C15 | N20 | H7 | 143.4° | 144.9° |
H4 | C01 | H5 | H6 | 120.0° | 120.0° |
H8 | C06 | C09 | H10 | 57.0° | 59.3° |
H8 | C06 | C09 | H11 | 176.7° | 60.9° |
H9 | C06 | C09 | H10 | 62.7° | 179.2° |
H9 | C06 | C09 | H11 | 57.0° | 59.1° |
H10 | C09 | C12 | H12 | 53.2° | 177.8° |
H10 | C09 | C12 | H13 | 66.5° | 57.6° |
H11 | C09 | C12 | H12 | 172.9° | 57.7° |
H11 | C09 | C12 | H13 | 53.1° | 62.5° |
H15 | C27 | H16 | H17 | 119.9° | 120.0° |