7HS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAV | CAU | doub | 1.30Å | 1.34Å | |
| CAU | NAW | sing | 1.38Å | 1.34Å | |
| CAU | NAT | sing | 1.38Å | 1.34Å | |
| NAT | CAS | sing | 1.46Å | 1.47Å | |
| CAS | CAR | sing | 1.53Å | 1.53Å | |
| CAR | CAQ | sing | 1.53Å | 1.53Å | |
| CAQ | CAN | sing | 1.53Å | 1.53Å | |
| CAN | CAO | sing | 1.51Å | 1.52Å | |
| CAN | NAM | sing | 1.47Å | 1.47Å | |
| CAO | OAX | doub | 1.21Å | 1.23Å | |
| NAM | C | sing | 1.35Å | 1.34Å | |
| O | C | doub | 1.21Å | 1.23Å | |
| C | CA | sing | 1.51Å | 1.53Å | |
| OAC | CAB | doub | 1.21Å | 1.23Å | |
| CAA | CAB | sing | 1.51Å | 1.53Å | |
| CAB | N | sing | 1.35Å | 1.34Å | |
| N | CA | sing | 1.46Å | 1.47Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CB | CG | sing | 1.53Å | 1.53Å | |
| CG | CD | sing | 1.53Å | 1.53Å | |
| CD | CE | sing | 1.53Å | 1.53Å | |
| NZ | CE | sing | 1.47Å | 1.47Å | |
| N | H1 | sing | 0.97Å | 1.00Å | |
| CA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAA | H4 | sing | 1.09Å | 1.10Å | |
| CAA | H5 | sing | 1.09Å | 1.10Å | |
| CAN | H6 | sing | 1.09Å | 1.10Å | |
| CAO | H7 | sing | 1.08Å | 1.08Å | |
| CAQ | H8 | sing | 1.09Å | 1.10Å | |
| CAQ | H9 | sing | 1.09Å | 1.10Å | |
| CAR | H10 | sing | 1.09Å | 1.10Å | |
| CAR | H11 | sing | 1.09Å | 1.10Å | |
| CAS | H12 | sing | 1.09Å | 1.10Å | |
| CAS | H13 | sing | 1.09Å | 1.10Å | |
| NAM | H14 | sing | 0.97Å | 1.00Å | |
| NAT | H15 | sing | 0.97Å | 1.00Å | |
| NAV | H16 | sing | 0.97Å | 1.00Å | |
| NAW | H17 | sing | 0.97Å | 1.00Å | |
| NAW | H18 | sing | 0.97Å | 1.00Å | |
| CB | H19 | sing | 1.09Å | 1.10Å | |
| CB | H20 | sing | 1.09Å | 1.10Å | |
| CG | H21 | sing | 1.09Å | 1.10Å | |
| CG | H22 | sing | 1.09Å | 1.10Å | |
| CD | H23 | sing | 1.09Å | 1.10Å | |
| CD | H24 | sing | 1.09Å | 1.10Å | |
| CE | H25 | sing | 1.09Å | 1.10Å | |
| CE | H26 | sing | 1.09Å | 1.10Å | |
| NZ | H27 | sing | 1.01Å | 1.00Å | |
| NZ | H28 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAV | CAU | NAW | 120.1° | 120.0° |
| NAV | CAU | NAT | 119.9° | 120.0° |
| CAU | NAV | H16 | 112.0° | 120.0° |
| NAW | CAU | NAT | 119.9° | 120.0° |
| CAU | NAW | H17 | 120.0° | 120.0° |
| CAU | NAW | H18 | 120.0° | 120.0° |
| CAU | NAT | CAS | 123.8° | 120.0° |
| CAU | NAT | H15 | 118.1° | 119.9° |
| NAT | CAS | CAR | 109.0° | 109.5° |
| NAT | CAS | H12 | 109.6° | 109.5° |
| NAT | CAS | H13 | 109.6° | 109.5° |
| CAS | NAT | H15 | 118.1° | 120.0° |
| CAS | CAR | CAQ | 109.9° | 109.5° |
| CAS | CAR | H10 | 109.4° | 109.4° |
| CAS | CAR | H11 | 109.4° | 109.4° |
| CAR | CAS | H12 | 109.6° | 109.4° |
| CAR | CAS | H13 | 109.6° | 109.5° |
| CAR | CAQ | CAN | 109.1° | 109.5° |
| CAR | CAQ | H8 | 109.6° | 109.5° |
| CAR | CAQ | H9 | 109.5° | 109.4° |
| CAQ | CAR | H10 | 109.4° | 109.5° |
| CAQ | CAR | H11 | 109.4° | 109.5° |
| CAQ | CAN | CAO | 110.2° | 109.5° |
| CAQ | CAN | NAM | 110.9° | 109.5° |
| CAQ | CAN | H6 | 109.2° | 109.5° |
| CAN | CAQ | H8 | 109.5° | 109.5° |
| CAN | CAQ | H9 | 109.6° | 109.4° |
| CAO | CAN | NAM | 107.3° | 109.5° |
| CAN | CAO | OAX | 120.2° | 120.0° |
| CAO | CAN | H6 | 109.2° | 109.5° |
| CAN | CAO | H7 | 119.9° | 120.0° |
| CAN | NAM | C | 121.6° | 120.0° |
| NAM | CAN | H6 | 110.0° | 109.5° |
| CAN | NAM | H14 | 119.2° | 120.0° |
| OAX | CAO | H7 | 119.9° | 120.1° |
| NAM | C | O | 124.0° | 120.0° |
| NAM | C | CA | 114.7° | 120.0° |
| C | NAM | H14 | 119.2° | 120.0° |
| O | C | CA | 121.3° | 119.9° |
| C | CA | N | 109.7° | 109.5° |
| C | CA | CB | 109.1° | 109.5° |
| C | CA | H2 | 109.1° | 109.4° |
| OAC | CAB | CAA | 121.0° | 120.0° |
| OAC | CAB | N | 124.2° | 120.0° |
| CAA | CAB | N | 114.9° | 120.0° |
| CAB | CAA | H3 | 109.5° | 109.5° |
| CAB | CAA | H4 | 109.5° | 109.5° |
| CAB | CAA | H5 | 109.5° | 109.4° |
| CAB | N | CA | 122.3° | 120.0° |
| CAB | N | H1 | 118.9° | 120.0° |
| N | CA | CB | 110.0° | 109.5° |
| CA | N | H1 | 118.8° | 120.0° |
| N | CA | H2 | 109.8° | 109.5° |
| CA | CB | CG | 109.7° | 109.4° |
| CB | CA | H2 | 109.0° | 109.5° |
| CA | CB | H19 | 109.4° | 109.5° |
| CA | CB | H20 | 109.4° | 109.5° |
| CB | CG | CD | 109.5° | 109.5° |
| CG | CB | H19 | 109.4° | 109.5° |
| CG | CB | H20 | 109.4° | 109.5° |
| CB | CG | H21 | 109.4° | 109.5° |
| CB | CG | H22 | 109.4° | 109.5° |
| CG | CD | CE | 109.1° | 109.4° |
| CD | CG | H21 | 109.4° | 109.5° |
| CD | CG | H22 | 109.5° | 109.5° |
| CG | CD | H23 | 109.6° | 109.5° |
| CG | CD | H24 | 109.6° | 109.5° |
| CD | CE | NZ | 110.6° | 109.4° |
| CE | CD | H23 | 109.5° | 109.5° |
| CE | CD | H24 | 109.6° | 109.5° |
| CD | CE | H25 | 109.2° | 109.5° |
| CD | CE | H26 | 109.2° | 109.4° |
| NZ | CE | H25 | 109.2° | 109.5° |
| NZ | CE | H26 | 109.2° | 109.5° |
| CE | NZ | H27 | 109.5° | 111.0° |
| CE | NZ | H28 | 109.5° | 111.0° |
| H3 | CAA | H4 | 109.5° | 109.5° |
| H3 | CAA | H5 | 109.4° | 109.5° |
| H4 | CAA | H5 | 109.5° | 109.4° |
| H8 | CAQ | H9 | 109.5° | 109.5° |
| H10 | CAR | H11 | 109.5° | 109.5° |
| H12 | CAS | H13 | 109.5° | 109.5° |
| H17 | NAW | H18 | 120.0° | 120.0° |
| H19 | CB | H20 | 109.5° | 109.5° |
| H21 | CG | H22 | 109.5° | 109.5° |
| H23 | CD | H24 | 109.5° | 109.5° |
| H25 | CE | H26 | 109.4° | 109.5° |
| H27 | NZ | H28 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAV | CAU | NAW | NAT | 179.9° | 180.0° |
| NAV | CAU | NAT | CAS | 0.0° | 0.0° |
| NAV | CAU | NAT | H15 | 180.0° | 180.0° |
| NAV | CAU | NAW | H17 | 180.0° | 179.9° |
| NAV | CAU | NAW | H18 | 0.1° | 0.0° |
| NAW | CAU | NAT | CAS | 179.9° | 180.0° |
| NAW | CAU | NAT | H15 | 0.1° | 0.0° |
| NAW | CAU | NAV | H16 | 180.0° | 180.0° |
| CAU | NAW | H17 | H18 | 180.0° | 179.9° |
| CAU | NAT | CAS | H15 | 180.0° | 180.0° |
| CAU | NAT | CAS | CAR | 102.4° | 180.0° |
| CAU | NAT | CAS | H12 | 137.6° | 60.0° |
| CAU | NAT | CAS | H13 | 17.5° | 60.0° |
| NAT | CAU | NAV | H16 | 0.0° | 0.0° |
| NAT | CAU | NAW | H17 | 0.0° | 0.1° |
| NAT | CAU | NAW | H18 | 180.0° | 180.0° |
| NAT | CAS | CAR | H12 | 119.9° | 120.0° |
| NAT | CAS | CAR | H13 | 119.9° | 120.0° |
| NAT | CAS | CAR | CAQ | 153.4° | 180.0° |
| NAT | CAS | CAR | H10 | 86.5° | 60.0° |
| NAT | CAS | CAR | H11 | 33.3° | 60.0° |
| NAT | CAS | H12 | H13 | 120.2° | 120.0° |
| CAS | CAR | CAQ | H10 | 120.1° | 120.0° |
| CAS | CAR | CAQ | H11 | 120.1° | 120.0° |
| CAS | CAR | CAQ | CAN | 55.7° | 180.0° |
| CAS | CAR | CAQ | H8 | 64.2° | 60.0° |
| CAS | CAR | CAQ | H9 | 175.7° | 60.0° |
| CAS | CAR | H10 | H11 | 119.8° | 120.0° |
| CAR | CAS | H12 | H13 | 120.2° | 120.0° |
| CAR | CAS | NAT | H15 | 77.6° | 0.0° |
| CAR | CAQ | CAN | H8 | 119.9° | 120.0° |
| CAR | CAQ | CAN | H9 | 119.9° | 119.9° |
| CAR | CAQ | CAN | CAO | 162.3° | 175.0° |
| CAR | CAQ | CAN | NAM | 79.0° | 65.0° |
| CAR | CAQ | CAN | H6 | 42.3° | 55.0° |
| CAR | CAQ | H8 | H9 | 120.1° | 120.0° |
| CAQ | CAR | H10 | H11 | 119.8° | 120.0° |
| CAQ | CAR | CAS | H12 | 33.5° | 60.0° |
| CAQ | CAR | CAS | H13 | 86.7° | 60.0° |
| CAQ | CAN | CAO | NAM | 120.8° | 120.0° |
| CAQ | CAN | CAO | H6 | 120.0° | 120.0° |
| CAQ | CAN | NAM | H6 | 120.9° | 120.0° |
| CAQ | CAN | CAO | OAX | 174.3° | 120.0° |
| CAQ | CAN | NAM | C | 123.8° | 155.0° |
| CAQ | CAN | CAO | H7 | 5.7° | 60.0° |
| CAN | CAQ | H8 | H9 | 120.2° | 120.0° |
| CAN | CAQ | CAR | H10 | 175.8° | 60.0° |
| CAN | CAQ | CAR | H11 | 64.3° | 60.1° |
| CAQ | CAN | NAM | H14 | 56.2° | 25.0° |
| CAO | CAN | NAM | H6 | 118.7° | 120.0° |
| CAN | CAO | OAX | H7 | 180.0° | 180.0° |
| CAO | CAN | NAM | C | 115.8° | 85.0° |
| CAO | CAN | CAQ | H8 | 42.4° | 65.0° |
| CAO | CAN | CAQ | H9 | 77.7° | 55.1° |
| CAO | CAN | NAM | H14 | 64.2° | 95.0° |
| NAM | CAN | CAO | OAX | 64.9° | 0.0° |
| CAN | NAM | C | H14 | 180.0° | 180.0° |
| CAN | NAM | C | O | 0.3° | 0.0° |
| CAN | NAM | C | CA | 179.1° | 180.0° |
| NAM | CAN | CAO | H7 | 115.1° | 180.0° |
| NAM | CAN | CAQ | H8 | 161.0° | 55.0° |
| NAM | CAN | CAQ | H9 | 40.9° | 175.1° |
| OAX | CAO | CAN | H6 | 54.4° | 120.0° |
| NAM | C | O | CA | 179.3° | 180.0° |
| NAM | C | CA | N | 135.4° | 160.0° |
| NAM | C | CA | CB | 104.0° | 80.0° |
| NAM | C | CA | H2 | 15.0° | 40.0° |
| C | NAM | CAN | H6 | 2.9° | 35.0° |
| O | C | CA | N | 45.2° | 20.0° |
| O | C | CA | CB | 75.4° | 100.0° |
| O | C | CA | H2 | 165.6° | 140.0° |
| O | C | NAM | H14 | 179.7° | 180.0° |
| C | CA | N | CAB | 104.9° | 60.3° |
| C | CA | N | CB | 120.1° | 120.0° |
| C | CA | N | H2 | 119.9° | 120.0° |
| C | CA | CB | H2 | 119.1° | 119.9° |
| C | CA | CB | CG | 139.9° | 175.0° |
| C | CA | N | H1 | 75.1° | 120.0° |
| CA | C | NAM | H14 | 0.9° | 0.0° |
| C | CA | CB | H19 | 100.1° | 65.1° |
| C | CA | CB | H20 | 19.9° | 55.0° |
| OAC | CAB | CAA | N | 179.8° | 180.0° |
| OAC | CAB | N | CA | 0.0° | 0.0° |
| OAC | CAB | N | H1 | 180.0° | 179.8° |
| OAC | CAB | CAA | H3 | 0.0° | 180.0° |
| OAC | CAB | CAA | H4 | 120.0° | 59.9° |
| OAC | CAB | CAA | H5 | 120.0° | 60.0° |
| CAA | CAB | N | CA | 179.8° | 180.0° |
| CAA | CAB | N | H1 | 0.1° | 0.3° |
| CAB | CAA | H3 | H4 | 120.0° | 120.0° |
| CAB | CAA | H3 | H5 | 120.0° | 120.0° |
| CAB | CAA | H4 | H5 | 120.0° | 119.9° |
| CAB | N | CA | H1 | 180.0° | 179.7° |
| CAB | N | CA | CB | 135.0° | 59.7° |
| CAB | N | CA | H2 | 15.1° | 179.7° |
| N | CAB | CAA | H3 | 179.9° | 0.0° |
| N | CAB | CAA | H4 | 59.8° | 120.0° |
| N | CAB | CAA | H5 | 60.2° | 120.0° |
| N | CA | CB | H2 | 120.5° | 120.1° |
| N | CA | CB | CG | 99.6° | 65.0° |
| N | CA | CB | H19 | 20.4° | 55.0° |
| N | CA | CB | H20 | 140.4° | 175.0° |
| CA | CB | CG | H19 | 120.0° | 120.0° |
| CA | CB | CG | H20 | 120.0° | 120.0° |
| CA | CB | CG | CD | 125.2° | 180.0° |
| CB | CA | N | H1 | 45.0° | 120.0° |
| CA | CB | H19 | H20 | 119.9° | 120.0° |
| CA | CB | CG | H21 | 114.9° | 60.0° |
| CA | CB | CG | H22 | 5.2° | 60.0° |
| CB | CG | CD | H21 | 120.0° | 120.0° |
| CB | CG | CD | H22 | 120.0° | 120.0° |
| CB | CG | CD | CE | 153.5° | 180.0° |
| CG | CB | CA | H2 | 20.8° | 55.1° |
| CG | CB | H19 | H20 | 119.9° | 120.0° |
| CB | CG | H21 | H22 | 120.0° | 120.0° |
| CB | CG | CD | H23 | 86.6° | 60.0° |
| CB | CG | CD | H24 | 33.5° | 60.0° |
| CG | CD | CE | H23 | 120.0° | 120.0° |
| CG | CD | CE | H24 | 120.0° | 120.0° |
| CG | CD | CE | NZ | 60.8° | 180.0° |
| CD | CG | CB | H19 | 5.1° | 60.0° |
| CD | CG | CB | H20 | 114.8° | 60.0° |
| CD | CG | H21 | H22 | 120.0° | 120.0° |
| CG | CD | H23 | H24 | 120.2° | 120.0° |
| CG | CD | CE | H25 | 179.0° | 60.0° |
| CG | CD | CE | H26 | 59.4° | 60.0° |
| CD | CE | NZ | H25 | 120.2° | 120.0° |
| CD | CE | NZ | H26 | 120.2° | 119.9° |
| CE | CD | CG | H21 | 33.5° | 60.0° |
| CE | CD | CG | H22 | 86.5° | 60.0° |
| CE | CD | H23 | H24 | 120.2° | 120.0° |
| CD | CE | H25 | H26 | 119.5° | 120.0° |
| CD | CE | NZ | H27 | 180.0° | 56.1° |
| CD | CE | NZ | H28 | 60.0° | 180.0° |
| NZ | CE | CD | H23 | 59.1° | 60.0° |
| NZ | CE | CD | H24 | 179.2° | 60.0° |
| NZ | CE | H25 | H26 | 119.5° | 120.0° |
| CE | NZ | H27 | H28 | 120.0° | 123.9° |
| H1 | N | CA | H2 | 165.0° | 0.0° |
| H2 | CA | CB | H19 | 140.9° | 175.0° |
| H2 | CA | CB | H20 | 99.2° | 65.0° |
| H3 | CAA | H4 | H5 | 119.9° | 120.0° |
| H6 | CAN | CAO | H7 | 125.7° | 60.0° |
| H6 | CAN | CAQ | H8 | 77.6° | 175.0° |
| H6 | CAN | CAQ | H9 | 162.3° | 64.9° |
| H6 | CAN | NAM | H14 | 177.1° | 145.0° |
| H8 | CAQ | CAR | H10 | 55.9° | 180.0° |
| H8 | CAQ | CAR | H11 | 175.8° | 59.9° |
| H9 | CAQ | CAR | H10 | 64.3° | 59.9° |
| H9 | CAQ | CAR | H11 | 55.6° | 180.0° |
| H10 | CAR | CAS | H12 | 153.5° | 180.0° |
| H10 | CAR | CAS | H13 | 33.4° | 60.0° |
| H11 | CAR | CAS | H12 | 86.6° | 60.0° |
| H11 | CAR | CAS | H13 | 153.2° | 180.0° |
| H12 | CAS | NAT | H15 | 42.4° | 120.0° |
| H13 | CAS | NAT | H15 | 162.5° | 120.0° |
| H19 | CB | CG | H21 | 125.1° | 180.0° |
| H19 | CB | CG | H22 | 114.9° | 60.0° |
| H20 | CB | CG | H21 | 5.2° | 60.0° |
| H20 | CB | CG | H22 | 125.2° | 180.0° |
| H21 | CG | CD | H23 | 153.5° | 180.0° |
| H21 | CG | CD | H24 | 86.4° | 60.0° |
| H22 | CG | CD | H23 | 33.4° | 60.0° |
| H22 | CG | CD | H24 | 153.5° | 180.0° |
| H23 | CD | CE | H25 | 61.1° | 180.0° |
| H23 | CD | CE | H26 | 179.3° | 60.0° |
| H24 | CD | CE | H25 | 59.0° | 60.0° |
| H24 | CD | CE | H26 | 60.6° | 180.0° |
| H25 | CE | NZ | H27 | 59.9° | 63.9° |
| H25 | CE | NZ | H28 | 179.8° | 60.0° |
| H26 | CE | NZ | H27 | 59.8° | 176.1° |
| H26 | CE | NZ | H28 | 60.2° | 60.0° |
