33L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAL | CAM | sing | 1.53Å | 1.52Å | |
| CAL | NAK | sing | 1.46Å | 1.46Å | |
| CAM | NAN | sing | 1.47Å | 1.34Å | |
| O | C | doub | 1.21Å | 1.23Å | |
| CE1 | CD1 | doub | 1.38Å | 1.39Å | Aromatic |
| CE1 | CZ | sing | 1.38Å | 1.39Å | Aromatic |
| CD1 | CG | sing | 1.38Å | 1.39Å | Aromatic |
| C | NAK | sing | 1.35Å | 1.33Å | |
| C | CA | sing | 1.51Å | 1.53Å | |
| CZ | CE2 | doub | 1.38Å | 1.38Å | Aromatic |
| CAT | CAS | doub | 1.38Å | 1.39Å | Aromatic |
| CAT | CAU | sing | 1.38Å | 1.39Å | Aromatic |
| CAS | CAR | sing | 1.40Å | 1.39Å | Aromatic |
| CG | CB | sing | 1.51Å | 1.41Å | |
| CG | CD2 | doub | 1.38Å | 1.39Å | Aromatic |
| CA | N | sing | 1.46Å | 1.46Å | |
| CA | CB | sing | 1.53Å | 1.54Å | |
| N | CAP | sing | 1.35Å | 1.34Å | |
| CE2 | CD2 | sing | 1.38Å | 1.39Å | Aromatic |
| CAU | CAV | doub | 1.38Å | 1.39Å | Aromatic |
| CAR | CAP | sing | 1.48Å | 1.38Å | |
| CAR | CAW | doub | 1.39Å | 1.39Å | Aromatic |
| CAP | OAQ | doub | 1.22Å | 1.24Å | |
| CAV | CAW | sing | 1.38Å | 1.39Å | Aromatic |
| CD1 | H1 | sing | 1.08Å | 1.08Å | |
| CE1 | H2 | sing | 1.08Å | 1.08Å | |
| CZ | H3 | sing | 1.08Å | 1.08Å | |
| CE2 | H4 | sing | 1.08Å | 1.08Å | |
| CD2 | H5 | sing | 1.08Å | 1.08Å | |
| CB | H6 | sing | 1.09Å | 1.10Å | |
| CB | H7 | sing | 1.09Å | 1.10Å | |
| CA | H8 | sing | 1.09Å | 1.10Å | |
| NAK | H9 | sing | 0.97Å | 1.00Å | |
| CAL | H10 | sing | 1.09Å | 1.10Å | |
| CAL | H11 | sing | 1.09Å | 1.10Å | |
| CAM | H12 | sing | 1.09Å | 1.10Å | |
| CAM | H13 | sing | 1.09Å | 1.10Å | |
| NAN | H14 | sing | 1.01Å | 1.00Å | |
| NAN | H15 | sing | 1.01Å | 1.00Å | |
| N | H17 | sing | 0.97Å | 1.00Å | |
| CAS | H18 | sing | 1.08Å | 1.08Å | |
| CAT | H19 | sing | 1.08Å | 1.08Å | |
| CAU | H20 | sing | 1.08Å | 1.08Å | |
| CAV | H21 | sing | 1.08Å | 1.08Å | |
| CAW | H22 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAM | CAL | NAK | 108.1° | 109.5° |
| CAL | CAM | NAN | 115.3° | 109.5° |
| CAM | CAL | H10 | 109.8° | 109.5° |
| CAM | CAL | H11 | 109.8° | 109.5° |
| CAL | CAM | H12 | 108.0° | 109.5° |
| CAL | CAM | H13 | 108.0° | 109.5° |
| CAL | NAK | C | 121.3° | 120.1° |
| CAL | NAK | H9 | 119.3° | 119.9° |
| NAK | CAL | H10 | 109.8° | 109.5° |
| NAK | CAL | H11 | 109.8° | 109.4° |
| NAN | CAM | H12 | 108.0° | 109.5° |
| NAN | CAM | H13 | 108.0° | 109.4° |
| CAM | NAN | H14 | 109.5° | 111.0° |
| CAM | NAN | H15 | 109.4° | 111.0° |
| O | C | NAK | 124.3° | 119.9° |
| O | C | CA | 121.5° | 120.0° |
| CD1 | CE1 | CZ | 120.7° | 120.0° |
| CE1 | CD1 | CG | 121.4° | 120.0° |
| CE1 | CD1 | H1 | 119.3° | 120.0° |
| CD1 | CE1 | H2 | 119.7° | 120.0° |
| CE1 | CZ | CE2 | 118.4° | 120.0° |
| CZ | CE1 | H2 | 119.6° | 120.0° |
| CE1 | CZ | H3 | 120.8° | 120.0° |
| CD1 | CG | CB | 125.1° | 120.0° |
| CD1 | CG | CD2 | 117.5° | 120.0° |
| CG | CD1 | H1 | 119.3° | 120.0° |
| NAK | C | CA | 114.3° | 120.0° |
| C | NAK | H9 | 119.4° | 120.0° |
| C | CA | N | 113.8° | 109.5° |
| C | CA | CB | 111.9° | 109.5° |
| C | CA | H8 | 108.0° | 109.5° |
| CZ | CE2 | CD2 | 120.7° | 120.0° |
| CE2 | CZ | H3 | 120.8° | 120.0° |
| CZ | CE2 | H4 | 119.7° | 120.0° |
| CAS | CAT | CAU | 119.7° | 120.2° |
| CAT | CAS | CAR | 119.7° | 119.8° |
| CAT | CAS | H18 | 120.2° | 120.1° |
| CAS | CAT | H19 | 120.1° | 119.9° |
| CAT | CAU | CAV | 120.3° | 120.3° |
| CAU | CAT | H19 | 120.2° | 119.9° |
| CAT | CAU | H20 | 119.8° | 119.9° |
| CAS | CAR | CAP | 119.1° | 120.1° |
| CAS | CAR | CAW | 120.7° | 119.7° |
| CAR | CAS | H18 | 120.1° | 120.1° |
| CB | CG | CD2 | 117.5° | 120.0° |
| CG | CB | CA | 116.7° | 109.5° |
| CG | CB | H6 | 107.7° | 109.5° |
| CG | CB | H7 | 107.6° | 109.4° |
| CG | CD2 | CE2 | 121.3° | 120.0° |
| CG | CD2 | H5 | 119.3° | 120.0° |
| N | CA | CB | 106.4° | 109.5° |
| CA | N | CAP | 123.0° | 120.0° |
| N | CA | H8 | 108.8° | 109.5° |
| CA | N | H17 | 118.5° | 120.0° |
| CA | CB | H6 | 107.6° | 109.5° |
| CA | CB | H7 | 107.6° | 109.5° |
| CB | CA | H8 | 107.8° | 109.4° |
| N | CAP | CAR | 112.5° | 120.0° |
| N | CAP | OAQ | 125.3° | 120.0° |
| CAP | N | H17 | 118.5° | 120.0° |
| CD2 | CE2 | H4 | 119.6° | 120.0° |
| CE2 | CD2 | H5 | 119.4° | 120.0° |
| CAU | CAV | CAW | 120.0° | 120.1° |
| CAV | CAU | H20 | 119.8° | 119.8° |
| CAU | CAV | H21 | 120.0° | 119.9° |
| CAP | CAR | CAW | 120.2° | 120.2° |
| CAR | CAP | OAQ | 121.2° | 120.0° |
| CAR | CAW | CAV | 119.5° | 119.9° |
| CAR | CAW | H22 | 120.2° | 120.1° |
| CAW | CAV | H21 | 120.0° | 120.0° |
| CAV | CAW | H22 | 120.3° | 120.0° |
| H6 | CB | H7 | 109.5° | 109.5° |
| H10 | CAL | H11 | 109.5° | 109.4° |
| H12 | CAM | H13 | 109.5° | 109.5° |
| H14 | NAN | H15 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAM | CAL | NAK | H10 | 119.8° | 120.1° |
| CAM | CAL | NAK | H11 | 119.8° | 120.0° |
| CAL | CAM | NAN | H12 | 120.8° | 120.0° |
| CAL | CAM | NAN | H13 | 120.9° | 120.0° |
| CAM | CAL | NAK | C | 135.7° | 180.0° |
| CAM | CAL | NAK | H9 | 44.3° | 0.0° |
| CAM | CAL | H10 | H11 | 120.6° | 120.0° |
| CAL | CAM | H12 | H13 | 117.3° | 120.0° |
| CAL | CAM | NAN | H14 | 180.0° | 56.1° |
| CAL | CAM | NAN | H15 | 60.0° | 180.0° |
| NAK | CAL | CAM | NAN | 112.0° | 180.0° |
| CAL | NAK | C | O | 0.4° | 0.0° |
| CAL | NAK | C | H9 | 180.0° | 180.0° |
| CAL | NAK | C | CA | 179.6° | 180.0° |
| NAK | CAL | H10 | H11 | 120.7° | 119.9° |
| NAK | CAL | CAM | H12 | 8.9° | 60.0° |
| NAK | CAL | CAM | H13 | 127.1° | 60.1° |
| NAN | CAM | CAL | H10 | 7.8° | 59.9° |
| NAN | CAM | CAL | H11 | 128.2° | 60.0° |
| NAN | CAM | H12 | H13 | 117.3° | 120.0° |
| CAM | NAN | H14 | H15 | 120.0° | 124.0° |
| O | C | NAK | CA | 180.0° | 180.0° |
| O | C | CA | N | 18.0° | 0.0° |
| O | C | CA | CB | 102.6° | 120.0° |
| O | C | CA | H8 | 138.9° | 120.0° |
| O | C | NAK | H9 | 179.6° | 180.0° |
| CD1 | CE1 | CZ | H2 | 180.0° | 179.9° |
| CE1 | CD1 | CG | H1 | 180.0° | 179.7° |
| CD1 | CE1 | CZ | CE2 | 0.4° | 0.0° |
| CE1 | CD1 | CG | CB | 179.2° | 179.7° |
| CE1 | CD1 | CG | CD2 | 0.5° | 0.1° |
| CD1 | CE1 | CZ | H3 | 179.6° | 180.0° |
| CZ | CE1 | CD1 | CG | 0.6° | 0.0° |
| CE1 | CZ | CE2 | H3 | 180.0° | 180.0° |
| CE1 | CZ | CE2 | CD2 | 0.1° | 0.0° |
| CZ | CE1 | CD1 | H1 | 179.4° | 179.7° |
| CE1 | CZ | CE2 | H4 | 179.9° | 180.0° |
| CD1 | CG | CB | CD2 | 178.7° | 179.6° |
| CD1 | CG | CB | CA | 27.3° | 90.0° |
| CD1 | CG | CD2 | CE2 | 0.2° | 0.2° |
| CG | CD1 | CE1 | H2 | 179.4° | 179.9° |
| CD1 | CG | CD2 | H5 | 179.8° | 179.9° |
| CD1 | CG | CB | H6 | 148.4° | 150.0° |
| CD1 | CG | CB | H7 | 93.7° | 30.0° |
| NAK | C | CA | N | 162.0° | 180.0° |
| NAK | C | CA | CB | 77.4° | 60.0° |
| NAK | C | CA | H8 | 41.1° | 60.0° |
| C | NAK | CAL | H10 | 104.5° | 60.0° |
| C | NAK | CAL | H11 | 15.9° | 60.0° |
| C | CA | CB | CG | 69.3° | 175.0° |
| C | CA | N | CB | 123.7° | 120.0° |
| C | CA | N | H8 | 120.4° | 120.0° |
| C | CA | CB | H8 | 118.6° | 120.0° |
| C | CA | N | CAP | 172.8° | 155.0° |
| C | CA | CB | H6 | 169.6° | 55.0° |
| C | CA | CB | H7 | 51.7° | 65.0° |
| CA | C | NAK | H9 | 0.4° | 0.0° |
| C | CA | N | H17 | 7.2° | 25.1° |
| CZ | CE2 | CD2 | CG | 0.0° | 0.1° |
| CZ | CE2 | CD2 | H4 | 180.0° | 180.0° |
| CE2 | CZ | CE1 | H2 | 179.6° | 180.0° |
| CZ | CE2 | CD2 | H5 | 180.0° | 180.0° |
| CAS | CAT | CAU | H19 | 180.0° | 179.9° |
| CAT | CAS | CAR | H18 | 180.0° | 180.0° |
| CAS | CAT | CAU | CAV | 0.1° | 0.0° |
| CAT | CAS | CAR | CAP | 179.7° | 180.0° |
| CAT | CAS | CAR | CAW | 1.6° | 0.3° |
| CAS | CAT | CAU | H20 | 179.9° | 179.9° |
| CAU | CAT | CAS | CAR | 0.3° | 0.0° |
| CAT | CAU | CAV | H20 | 180.0° | 180.0° |
| CAT | CAU | CAV | CAW | 0.8° | 0.3° |
| CAU | CAT | CAS | H18 | 179.8° | 179.9° |
| CAT | CAU | CAV | H21 | 179.1° | 179.9° |
| CAS | CAR | CAP | N | 30.9° | 0.3° |
| CAS | CAR | CAP | CAW | 178.1° | 179.7° |
| CAS | CAR | CAP | OAQ | 137.9° | 179.7° |
| CAS | CAR | CAW | CAV | 2.5° | 0.6° |
| CAR | CAS | CAT | H19 | 179.7° | 180.0° |
| CAS | CAR | CAW | H22 | 177.4° | 179.7° |
| CG | CB | CA | N | 55.5° | 65.0° |
| CG | CB | CA | H6 | 121.1° | 120.0° |
| CG | CB | CA | H7 | 121.0° | 120.0° |
| CB | CG | CD2 | CE2 | 179.0° | 179.8° |
| CB | CG | CD1 | H1 | 0.8° | 0.0° |
| CB | CG | CD2 | H5 | 1.0° | 0.3° |
| CG | CB | H6 | H7 | 116.7° | 120.0° |
| CG | CB | CA | H8 | 172.1° | 55.0° |
| CD2 | CG | CB | CA | 151.4° | 90.4° |
| CG | CD2 | CE2 | H5 | 180.0° | 179.9° |
| CD2 | CG | CD1 | H1 | 179.5° | 179.6° |
| CG | CD2 | CE2 | H4 | 180.0° | 179.9° |
| CD2 | CG | CB | H6 | 30.3° | 29.6° |
| CD2 | CG | CB | H7 | 87.6° | 149.6° |
| N | CA | CB | H8 | 116.6° | 120.0° |
| CA | N | CAP | H17 | 180.0° | 179.9° |
| CA | N | CAP | CAR | 179.9° | 180.0° |
| CA | N | CAP | OAQ | 11.6° | 0.0° |
| N | CA | CB | H6 | 65.5° | 175.0° |
| N | CA | CB | H7 | 176.5° | 55.0° |
| CB | CA | N | CAP | 63.5° | 84.9° |
| CA | CB | H6 | H7 | 116.7° | 120.0° |
| CB | CA | N | H17 | 116.5° | 95.0° |
| N | CAP | CAR | OAQ | 168.9° | 180.0° |
| N | CAP | CAR | CAW | 151.0° | 180.0° |
| CAP | N | CA | H8 | 52.4° | 35.0° |
| CD2 | CE2 | CZ | H3 | 179.9° | 180.0° |
| CAU | CAV | CAW | CAR | 2.2° | 0.6° |
| CAU | CAV | CAW | H21 | 180.0° | 179.8° |
| CAV | CAU | CAT | H19 | 179.9° | 180.0° |
| CAU | CAV | CAW | H22 | 177.8° | 179.7° |
| CAP | CAR | CAW | CAV | 179.4° | 179.7° |
| CAR | CAP | N | H17 | 0.1° | 0.1° |
| CAP | CAR | CAS | H18 | 0.4° | 0.1° |
| CAP | CAR | CAW | H22 | 0.6° | 0.0° |
| CAW | CAR | CAP | OAQ | 40.1° | 0.0° |
| CAR | CAW | CAV | H22 | 180.0° | 179.7° |
| CAW | CAR | CAS | H18 | 178.4° | 179.8° |
| CAR | CAW | CAV | H21 | 177.8° | 179.6° |
| OAQ | CAP | N | H17 | 168.4° | 180.0° |
| CAW | CAV | CAU | H20 | 179.1° | 179.8° |
| H1 | CD1 | CE1 | H2 | 0.6° | 0.3° |
| H2 | CE1 | CZ | H3 | 0.4° | 0.0° |
| H3 | CZ | CE2 | H4 | 0.1° | 0.0° |
| H4 | CE2 | CD2 | H5 | 0.0° | 0.0° |
| H6 | CB | CA | H8 | 51.0° | 65.0° |
| H7 | CB | CA | H8 | 66.9° | 175.0° |
| H8 | CA | N | H17 | 127.6° | 145.1° |
| H9 | NAK | CAL | H10 | 75.5° | 120.0° |
| H9 | NAK | CAL | H11 | 164.1° | 120.0° |
| H10 | CAL | CAM | H12 | 128.7° | 180.0° |
| H10 | CAL | CAM | H13 | 113.1° | 60.0° |
| H11 | CAL | CAM | H12 | 110.9° | 60.0° |
| H11 | CAL | CAM | H13 | 7.3° | 180.0° |
| H12 | CAM | NAN | H14 | 59.2° | 64.0° |
| H12 | CAM | NAN | H15 | 179.2° | 60.0° |
| H13 | CAM | NAN | H14 | 59.1° | 176.0° |
| H13 | CAM | NAN | H15 | 60.9° | 60.0° |
| H18 | CAS | CAT | H19 | 0.2° | 0.0° |
| H19 | CAT | CAU | H20 | 0.1° | 0.0° |
| H20 | CAU | CAV | H21 | 0.9° | 0.0° |
| H21 | CAV | CAW | H22 | 2.2° | 0.1° |
