5BM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.43Å | 1.43Å | |
| C01 | C04 | doub | 1.38Å | 1.35Å | |
| C01 | C21 | sing | 1.49Å | 1.44Å | |
| C02 | N03 | trip | 1.14Å | 1.15Å | |
| C04 | N05 | sing | 1.38Å | 1.37Å | |
| C04 | S06 | sing | 1.76Å | 1.77Å | |
| S06 | C07 | sing | 1.76Å | 1.78Å | |
| C07 | C08 | doub | 1.39Å | 1.42Å | Aromatic |
| C07 | C12 | sing | 1.39Å | 1.41Å | Aromatic |
| C08 | C09 | sing | 1.39Å | 1.41Å | Aromatic |
| C08 | N13 | sing | 1.40Å | 1.34Å | |
| C09 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.41Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C21 | C22 | sing | 1.43Å | 1.43Å | |
| C21 | C24 | doub | 1.38Å | 1.36Å | |
| C22 | N23 | trip | 1.14Å | 1.17Å | |
| C24 | N25 | sing | 1.38Å | 1.40Å | |
| C24 | S26 | sing | 1.76Å | 1.74Å | |
| S26 | C27 | sing | 1.76Å | 1.74Å | |
| C27 | C28 | doub | 1.40Å | 1.44Å | Aromatic |
| C27 | C32 | sing | 1.39Å | 1.40Å | Aromatic |
| C28 | C29 | sing | 1.39Å | 1.41Å | Aromatic |
| C28 | N33 | sing | 1.40Å | 1.35Å | |
| C29 | C30 | doub | 1.38Å | 1.42Å | Aromatic |
| C30 | C31 | sing | 1.38Å | 1.40Å | Aromatic |
| C31 | C32 | doub | 1.38Å | 1.38Å | Aromatic |
| N05 | HN05 | sing | 0.97Å | 1.00Å | |
| N05 | HN0A | sing | 0.97Å | 1.00Å | |
| C09 | H09 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| N13 | HN13 | sing | 0.97Å | 1.00Å | |
| N13 | HN1A | sing | 0.97Å | 1.00Å | |
| N25 | HN25 | sing | 0.97Å | 1.00Å | |
| N25 | HN2A | sing | 0.97Å | 1.00Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| N33 | HN33 | sing | 0.97Å | 1.00Å | |
| N33 | HN3A | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | C01 | C04 | 116.9° | 120.0° |
| C02 | C01 | C21 | 115.3° | 120.0° |
| C01 | C02 | N03 | 179.6° | 180.0° |
| C04 | C01 | C21 | 124.6° | 120.0° |
| C01 | C04 | N05 | 129.0° | 120.0° |
| C01 | C04 | S06 | 119.3° | 120.0° |
| C01 | C21 | C22 | 115.0° | 120.0° |
| C01 | C21 | C24 | 122.1° | 120.0° |
| N05 | C04 | S06 | 111.7° | 120.0° |
| C04 | N05 | HN05 | 109.5° | 120.0° |
| C04 | N05 | HN0A | 109.5° | 120.0° |
| C04 | S06 | C07 | 109.4° | 100.0° |
| S06 | C07 | C08 | 120.0° | 120.1° |
| S06 | C07 | C12 | 120.0° | 120.1° |
| C08 | C07 | C12 | 120.0° | 119.8° |
| C07 | C08 | C09 | 119.7° | 119.8° |
| C07 | C08 | N13 | 121.4° | 120.1° |
| C07 | C12 | C11 | 120.0° | 120.0° |
| C07 | C12 | H12 | 120.0° | 120.0° |
| C09 | C08 | N13 | 118.9° | 120.1° |
| C08 | C09 | C10 | 119.9° | 120.0° |
| C08 | C09 | H09 | 120.0° | 120.0° |
| C08 | N13 | HN13 | 109.5° | 119.9° |
| C08 | N13 | HN1A | 109.4° | 120.1° |
| C09 | C10 | C11 | 120.5° | 120.3° |
| C10 | C09 | H09 | 120.1° | 120.0° |
| C09 | C10 | H10 | 119.7° | 119.9° |
| C10 | C11 | C12 | 120.0° | 120.2° |
| C11 | C10 | H10 | 119.8° | 119.9° |
| C10 | C11 | H11 | 120.0° | 119.9° |
| C12 | C11 | H11 | 120.0° | 119.9° |
| C11 | C12 | H12 | 120.0° | 120.0° |
| C22 | C21 | C24 | 121.2° | 120.0° |
| C21 | C22 | N23 | 177.0° | 180.0° |
| C21 | C24 | N25 | 128.2° | 120.0° |
| C21 | C24 | S26 | 121.7° | 120.0° |
| N25 | C24 | S26 | 110.1° | 120.0° |
| C24 | N25 | HN25 | 109.5° | 120.0° |
| C24 | N25 | HN2A | 109.4° | 120.0° |
| C24 | S26 | C27 | 109.5° | 100.0° |
| S26 | C27 | C28 | 120.8° | 120.1° |
| S26 | C27 | C32 | 117.8° | 120.1° |
| C28 | C27 | C32 | 121.3° | 119.8° |
| C27 | C28 | C29 | 118.3° | 119.8° |
| C27 | C28 | N33 | 122.1° | 120.1° |
| C27 | C32 | C31 | 120.0° | 120.0° |
| C27 | C32 | H32 | 120.0° | 120.0° |
| C29 | C28 | N33 | 119.6° | 120.1° |
| C28 | C29 | C30 | 119.3° | 120.0° |
| C28 | C29 | H29 | 120.3° | 120.0° |
| C28 | N33 | HN33 | 109.5° | 119.9° |
| C28 | N33 | HN3A | 109.5° | 120.1° |
| C29 | C30 | C31 | 121.1° | 120.2° |
| C30 | C29 | H29 | 120.3° | 120.0° |
| C29 | C30 | H30 | 119.4° | 119.9° |
| C30 | C31 | C32 | 120.1° | 120.2° |
| C31 | C30 | H30 | 119.5° | 119.9° |
| C30 | C31 | H31 | 120.0° | 119.9° |
| C32 | C31 | H31 | 119.9° | 119.9° |
| C31 | C32 | H32 | 120.0° | 120.0° |
| HN05 | N05 | HN0A | 109.4° | 120.0° |
| HN13 | N13 | HN1A | 109.5° | 120.0° |
| HN25 | N25 | HN2A | 109.5° | 120.0° |
| HN33 | N33 | HN3A | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | C01 | C04 | C21 | 158.6° | 179.8° |
| C02 | C01 | C04 | N05 | 179.2° | 176.0° |
| C02 | C01 | C04 | S06 | 0.5° | 4.0° |
| C02 | C01 | C21 | C22 | 114.3° | 66.1° |
| C02 | C01 | C21 | C24 | 51.0° | 113.9° |
| C04 | C01 | C02 | N03 | 172.3° | 92.4° |
| C01 | C04 | N05 | S06 | 178.8° | 179.9° |
| C01 | C04 | S06 | C07 | 131.9° | 175.6° |
| C04 | C01 | C21 | C22 | 44.6° | 114.1° |
| C04 | C01 | C21 | C24 | 150.0° | 65.9° |
| C01 | C04 | N05 | HN05 | 80.9° | 5.8° |
| C01 | C04 | N05 | HN0A | 39.0° | 174.3° |
| C21 | C01 | C02 | N03 | 27.1° | 87.4° |
| C21 | C01 | C04 | N05 | 20.6° | 3.8° |
| C21 | C01 | C04 | S06 | 158.1° | 176.3° |
| C01 | C21 | C22 | C24 | 165.5° | 180.0° |
| C01 | C21 | C22 | N23 | 15.8° | 45.5° |
| C01 | C21 | C24 | N25 | 15.6° | 5.8° |
| C01 | C21 | C24 | S26 | 164.1° | 174.3° |
| N05 | C04 | S06 | C07 | 49.2° | 4.4° |
| C04 | N05 | HN05 | HN0A | 120.0° | 179.9° |
| C04 | S06 | C07 | C08 | 129.0° | 76.6° |
| C04 | S06 | C07 | C12 | 52.7° | 103.6° |
| S06 | C04 | N05 | HN05 | 97.9° | 174.3° |
| S06 | C04 | N05 | HN0A | 142.1° | 5.7° |
| S06 | C07 | C08 | C12 | 178.3° | 179.7° |
| S06 | C07 | C08 | C09 | 179.1° | 180.0° |
| S06 | C07 | C08 | N13 | 1.5° | 0.0° |
| S06 | C07 | C12 | C11 | 179.0° | 179.7° |
| S06 | C07 | C12 | H12 | 1.0° | 0.0° |
| C07 | C08 | C09 | N13 | 179.4° | 179.9° |
| C07 | C08 | C09 | C10 | 0.6° | 0.0° |
| C08 | C07 | C12 | C11 | 0.7° | 0.5° |
| C07 | C08 | C09 | H09 | 179.4° | 180.0° |
| C08 | C07 | C12 | H12 | 179.3° | 179.7° |
| C07 | C08 | N13 | HN13 | 129.1° | 0.0° |
| C07 | C08 | N13 | HN1A | 9.1° | 180.0° |
| C12 | C07 | C08 | C09 | 0.8° | 0.3° |
| C12 | C07 | C08 | N13 | 179.8° | 179.8° |
| C07 | C12 | C11 | C10 | 0.5° | 0.5° |
| C07 | C12 | C11 | H12 | 180.0° | 179.8° |
| C07 | C12 | C11 | H11 | 179.5° | 179.6° |
| C08 | C09 | C10 | H09 | 180.0° | 180.0° |
| C08 | C09 | C10 | C11 | 0.4° | 0.0° |
| C08 | C09 | C10 | H10 | 179.6° | 180.0° |
| C09 | C08 | N13 | HN13 | 51.4° | 180.0° |
| C09 | C08 | N13 | HN1A | 171.5° | 0.1° |
| N13 | C08 | C09 | C10 | 180.0° | 180.0° |
| N13 | C08 | C09 | H09 | 0.1° | 0.0° |
| C08 | N13 | HN13 | HN1A | 120.0° | 180.0° |
| C09 | C10 | C11 | H10 | 180.0° | 180.0° |
| C09 | C10 | C11 | C12 | 0.3° | 0.3° |
| C09 | C10 | C11 | H11 | 179.6° | 179.9° |
| C10 | C11 | C12 | H11 | 180.0° | 179.8° |
| C11 | C10 | C09 | H09 | 179.6° | 180.0° |
| C10 | C11 | C12 | H12 | 179.5° | 179.7° |
| C12 | C11 | C10 | H10 | 179.7° | 179.7° |
| C22 | C21 | C24 | N25 | 179.9° | 174.2° |
| C22 | C21 | C24 | S26 | 0.4° | 5.8° |
| C24 | C21 | C22 | N23 | 178.7° | 134.5° |
| C21 | C24 | N25 | S26 | 179.7° | 179.9° |
| C21 | C24 | S26 | C27 | 150.9° | 113.2° |
| C21 | C24 | N25 | HN25 | 50.7° | 5.3° |
| C21 | C24 | N25 | HN2A | 170.7° | 174.7° |
| N25 | C24 | S26 | C27 | 29.4° | 66.7° |
| C24 | N25 | HN25 | HN2A | 120.0° | 179.9° |
| C24 | S26 | C27 | C28 | 83.7° | 173.8° |
| C24 | S26 | C27 | C32 | 98.1° | 6.0° |
| S26 | C24 | N25 | HN25 | 129.6° | 174.7° |
| S26 | C24 | N25 | HN2A | 9.5° | 5.4° |
| S26 | C27 | C28 | C32 | 178.1° | 179.7° |
| S26 | C27 | C28 | C29 | 178.9° | 180.0° |
| S26 | C27 | C28 | N33 | 1.1° | 0.0° |
| S26 | C27 | C32 | C31 | 179.1° | 179.7° |
| S26 | C27 | C32 | H32 | 0.9° | 0.0° |
| C27 | C28 | C29 | N33 | 179.9° | 179.9° |
| C27 | C28 | C29 | C30 | 0.1° | 0.1° |
| C28 | C27 | C32 | C31 | 1.0° | 0.6° |
| C27 | C28 | C29 | H29 | 179.9° | 180.0° |
| C28 | C27 | C32 | H32 | 179.0° | 179.7° |
| C27 | C28 | N33 | HN33 | 54.0° | 0.1° |
| C27 | C28 | N33 | HN3A | 174.1° | 180.0° |
| C32 | C27 | C28 | C29 | 0.9° | 0.2° |
| C32 | C27 | C28 | N33 | 179.2° | 179.7° |
| C27 | C32 | C31 | C30 | 0.3° | 0.7° |
| C27 | C32 | C31 | H32 | 180.0° | 179.7° |
| C27 | C32 | C31 | H31 | 179.7° | 179.7° |
| C28 | C29 | C30 | H29 | 180.0° | 179.9° |
| C28 | C29 | C30 | C31 | 0.5° | 0.0° |
| C28 | C29 | C30 | H30 | 179.5° | 179.9° |
| C29 | C28 | N33 | HN33 | 126.1° | 180.0° |
| C29 | C28 | N33 | HN3A | 6.0° | 0.0° |
| N33 | C28 | C29 | C30 | 180.0° | 180.0° |
| N33 | C28 | C29 | H29 | 0.0° | 0.1° |
| C28 | N33 | HN33 | HN3A | 120.0° | 179.9° |
| C29 | C30 | C31 | H30 | 180.0° | 180.0° |
| C29 | C30 | C31 | C32 | 0.5° | 0.3° |
| C29 | C30 | C31 | H31 | 179.5° | 180.0° |
| C30 | C31 | C32 | H31 | 180.0° | 179.7° |
| C31 | C30 | C29 | H29 | 179.4° | 179.9° |
| C30 | C31 | C32 | H32 | 179.7° | 179.7° |
| C32 | C31 | C30 | H30 | 179.5° | 179.7° |
| H09 | C09 | C10 | H10 | 0.4° | 0.0° |
| H10 | C10 | C11 | H11 | 0.4° | 0.1° |
| H11 | C11 | C12 | H12 | 0.5° | 0.1° |
| H29 | C29 | C30 | H30 | 0.6° | 0.0° |
| H30 | C30 | C31 | H31 | 0.5° | 0.0° |
| H31 | C31 | C32 | H32 | 0.3° | 0.0° |
