BCZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | N25 | sing | 1.46Å | 1.46Å | |
| C2 | C3 | sing | 1.55Å | 1.56Å | |
| C2 | C1 | sing | 1.55Å | 1.55Å | |
| C2 | H21 | sing | 1.09Å | 1.11Å | |
| N25 | C26 | sing | 1.37Å | 1.29Å | |
| N25 | H251 | sing | 0.97Å | 1.02Å | |
| C26 | N30 | doub | 1.30Å | 1.37Å | |
| C26 | N27 | sing | 1.37Å | 1.38Å | |
| N30 | H301 | sing | 0.97Å | 1.02Å | |
| N27 | H271 | sing | 0.97Å | 1.02Å | |
| N27 | H272 | sing | 0.97Å | 1.02Å | |
| C3 | C10 | sing | 1.53Å | 1.57Å | |
| C3 | C4 | sing | 1.54Å | 1.57Å | |
| C3 | H31 | sing | 1.09Å | 1.12Å | |
| C10 | C24 | sing | 1.53Å | 1.58Å | |
| C10 | N11 | sing | 1.46Å | 1.47Å | |
| C10 | H101 | sing | 1.09Å | 1.12Å | |
| C24 | C37 | sing | 1.53Å | 1.56Å | |
| C24 | C36 | sing | 1.53Å | 1.57Å | |
| C24 | H241 | sing | 1.09Å | 1.11Å | |
| C37 | C38 | sing | 1.53Å | 1.55Å | |
| C37 | H371 | sing | 1.09Å | 1.12Å | |
| C37 | H372 | sing | 1.09Å | 1.12Å | |
| C38 | H381 | sing | 1.09Å | 1.12Å | |
| C38 | H382 | sing | 1.09Å | 1.11Å | |
| C38 | H383 | sing | 1.09Å | 1.11Å | |
| C36 | C39 | sing | 1.53Å | 1.55Å | |
| C36 | H361 | sing | 1.09Å | 1.12Å | |
| C36 | H362 | sing | 1.09Å | 1.12Å | |
| C39 | H391 | sing | 1.09Å | 1.11Å | |
| C39 | H392 | sing | 1.09Å | 1.11Å | |
| C39 | H393 | sing | 1.09Å | 1.12Å | |
| N11 | C13 | sing | 1.35Å | 1.36Å | |
| N11 | H111 | sing | 0.97Å | 1.02Å | |
| C13 | C15 | sing | 1.51Å | 1.52Å | |
| C13 | O14 | doub | 1.21Å | 1.22Å | |
| C15 | H151 | sing | 1.09Å | 1.11Å | |
| C15 | H152 | sing | 1.09Å | 1.12Å | |
| C15 | H153 | sing | 1.09Å | 1.11Å | |
| C4 | O9 | sing | 1.43Å | 1.46Å | |
| C4 | C5 | sing | 1.54Å | 1.57Å | |
| C4 | H41 | sing | 1.09Å | 1.11Å | |
| O9 | HO91 | sing | 0.97Å | 0.95Å | |
| C5 | C6 | sing | 1.51Å | 1.50Å | |
| C5 | C1 | sing | 1.54Å | 1.55Å | |
| C5 | H51 | sing | 1.09Å | 1.12Å | |
| C6 | O8 | doub | 1.21Å | 1.23Å | |
| C6 | O7 | sing | 1.34Å | 1.33Å | |
| O7 | HO71 | sing | 0.97Å | 0.95Å | |
| C1 | H11 | sing | 1.09Å | 1.11Å | |
| C1 | H12 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N25 | C2 | C3 | 108.7° | 111.1° |
| N25 | C2 | C1 | 112.5° | 110.7° |
| N25 | C2 | H21 | 105.5° | 110.7° |
| C2 | N25 | C26 | 120.1° | 120.0° |
| C2 | N25 | H251 | 108.4° | 120.0° |
| C3 | C2 | C1 | 100.7° | 102.7° |
| C3 | C2 | H21 | 116.6° | 110.6° |
| C2 | C3 | C10 | 116.0° | 110.5° |
| C2 | C3 | C4 | 104.1° | 104.3° |
| C2 | C3 | H31 | 109.8° | 110.4° |
| C1 | C2 | H21 | 113.0° | 110.8° |
| C2 | C1 | C5 | 104.6° | 104.3° |
| C2 | C1 | H11 | 114.0° | 110.5° |
| C2 | C1 | H12 | 114.0° | 110.4° |
| C26 | N25 | H251 | 108.4° | 120.0° |
| N25 | C26 | N30 | 126.1° | 120.0° |
| N25 | C26 | N27 | 118.3° | 120.1° |
| N30 | C26 | N27 | 115.5° | 119.9° |
| C26 | N30 | H301 | 64.4° | 120.0° |
| C26 | N27 | H271 | 118.4° | 120.1° |
| C26 | N27 | H272 | 109.0° | 120.0° |
| H271 | N27 | H272 | 109.0° | 120.0° |
| C10 | C3 | C4 | 112.3° | 110.5° |
| C10 | C3 | H31 | 101.1° | 110.5° |
| C3 | C10 | C24 | 111.7° | 109.5° |
| C3 | C10 | N11 | 110.3° | 109.5° |
| C3 | C10 | H101 | 107.7° | 109.5° |
| C4 | C3 | H31 | 113.8° | 110.5° |
| C3 | C4 | O9 | 108.8° | 110.0° |
| C3 | C4 | C5 | 105.0° | 106.6° |
| C3 | C4 | H41 | 112.2° | 110.0° |
| C24 | C10 | N11 | 110.5° | 109.4° |
| C24 | C10 | H101 | 107.6° | 109.4° |
| C10 | C24 | C37 | 112.0° | 109.5° |
| C10 | C24 | C36 | 108.2° | 109.5° |
| C10 | C24 | H241 | 109.8° | 109.4° |
| N11 | C10 | H101 | 108.9° | 109.5° |
| C10 | N11 | C13 | 120.2° | 120.0° |
| C10 | N11 | H111 | 123.7° | 120.0° |
| C37 | C24 | C36 | 112.6° | 109.5° |
| C37 | C24 | H241 | 105.1° | 109.4° |
| C24 | C37 | C38 | 116.9° | 109.5° |
| C24 | C37 | H371 | 109.5° | 109.4° |
| C24 | C37 | H372 | 109.5° | 109.5° |
| C36 | C24 | H241 | 109.2° | 109.5° |
| C24 | C36 | C39 | 114.6° | 109.5° |
| C24 | C36 | H361 | 110.3° | 109.5° |
| C24 | C36 | H362 | 110.3° | 109.5° |
| C38 | C37 | H371 | 109.6° | 109.4° |
| C38 | C37 | H372 | 109.5° | 109.5° |
| C37 | C38 | H381 | 116.9° | 109.5° |
| C37 | C38 | H382 | 109.5° | 109.5° |
| C37 | C38 | H383 | 109.5° | 109.4° |
| H371 | C37 | H372 | 100.6° | 109.5° |
| H381 | C38 | H382 | 109.5° | 109.5° |
| H381 | C38 | H383 | 109.6° | 109.5° |
| H382 | C38 | H383 | 100.7° | 109.5° |
| C39 | C36 | H361 | 110.3° | 109.5° |
| C39 | C36 | H362 | 110.4° | 109.5° |
| C36 | C39 | H391 | 114.6° | 109.5° |
| C36 | C39 | H392 | 110.3° | 109.5° |
| C36 | C39 | H393 | 110.3° | 109.5° |
| H361 | C36 | H362 | 99.9° | 109.5° |
| H391 | C39 | H392 | 110.4° | 109.4° |
| H391 | C39 | H393 | 110.3° | 109.4° |
| H392 | C39 | H393 | 99.9° | 109.5° |
| C13 | N11 | H111 | 116.1° | 120.0° |
| N11 | C13 | C15 | 117.9° | 120.0° |
| N11 | C13 | O14 | 125.5° | 120.0° |
| C15 | C13 | O14 | 116.6° | 120.0° |
| C13 | C15 | H151 | 117.9° | 109.5° |
| C13 | C15 | H152 | 109.2° | 109.5° |
| C13 | C15 | H153 | 109.2° | 109.5° |
| H151 | C15 | H152 | 109.1° | 109.5° |
| H151 | C15 | H153 | 109.2° | 109.5° |
| H152 | C15 | H153 | 100.9° | 109.4° |
| O9 | C4 | C5 | 107.8° | 110.1° |
| O9 | C4 | H41 | 109.7° | 110.0° |
| C4 | O9 | HO91 | 108.7° | 106.8° |
| C5 | C4 | H41 | 113.2° | 110.0° |
| C4 | C5 | C6 | 114.3° | 110.1° |
| C4 | C5 | C1 | 105.8° | 106.6° |
| C4 | C5 | H51 | 110.0° | 110.0° |
| C6 | C5 | C1 | 112.9° | 110.1° |
| C6 | C5 | H51 | 102.5° | 110.0° |
| C5 | C6 | O8 | 123.9° | 120.0° |
| C5 | C6 | O7 | 117.1° | 120.1° |
| C1 | C5 | H51 | 111.4° | 110.1° |
| C5 | C1 | H11 | 114.1° | 110.5° |
| C5 | C1 | H12 | 114.1° | 110.5° |
| O8 | C6 | O7 | 119.0° | 120.0° |
| C6 | O7 | HO71 | 117.0° | 120.0° |
| H11 | C1 | H12 | 96.4° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N25 | C2 | C3 | C1 | 118.4° | 118.4° |
| N25 | C2 | C3 | H21 | 119.0° | 123.4° |
| N25 | C2 | C1 | H21 | 119.4° | 123.2° |
| C2 | N25 | C26 | H251 | 125.3° | 179.9° |
| C2 | N25 | C26 | N30 | 4.9° | 0.0° |
| C2 | N25 | C26 | N27 | 177.7° | 179.9° |
| N25 | C2 | C3 | C10 | 75.1° | 85.1° |
| N25 | C2 | C3 | C4 | 160.9° | 156.2° |
| N25 | C2 | C3 | H31 | 38.8° | 37.4° |
| N25 | C2 | C1 | C5 | 157.9° | 156.5° |
| N25 | C2 | C1 | H11 | 32.6° | 84.8° |
| N25 | C2 | C1 | H12 | 76.8° | 37.8° |
| C3 | C2 | C1 | H21 | 125.1° | 118.2° |
| C3 | C2 | N25 | C26 | 150.1° | 155.1° |
| C3 | C2 | N25 | H251 | 24.8° | 24.8° |
| C2 | C3 | C10 | C4 | 119.6° | 114.9° |
| C2 | C3 | C10 | H31 | 118.8° | 122.5° |
| C2 | C3 | C4 | H31 | 119.5° | 118.7° |
| C2 | C3 | C10 | C24 | 177.6° | 173.4° |
| C2 | C3 | C10 | N11 | 59.0° | 53.4° |
| C2 | C3 | C10 | H101 | 59.7° | 66.7° |
| C2 | C3 | C4 | O9 | 88.1° | 95.8° |
| C2 | C3 | C4 | C5 | 27.1° | 23.5° |
| C2 | C3 | C4 | H41 | 150.4° | 142.8° |
| C3 | C2 | C1 | C5 | 42.3° | 37.8° |
| C3 | C2 | C1 | H11 | 83.0° | 156.5° |
| C3 | C2 | C1 | H12 | 167.6° | 80.9° |
| C1 | C2 | N25 | C26 | 99.3° | 91.5° |
| C1 | C2 | N25 | H251 | 135.4° | 88.6° |
| C1 | C2 | C3 | C10 | 166.5° | 156.5° |
| C1 | C2 | C3 | C4 | 42.6° | 37.8° |
| C1 | C2 | C3 | H31 | 79.6° | 80.9° |
| C2 | C1 | C5 | C4 | 26.0° | 23.5° |
| C2 | C1 | C5 | C6 | 151.8° | 142.9° |
| C2 | C1 | C5 | H11 | 125.3° | 118.7° |
| C2 | C1 | C5 | H12 | 125.3° | 118.6° |
| C2 | C1 | C5 | H51 | 93.5° | 95.7° |
| C2 | C1 | H11 | H12 | 119.9° | 122.5° |
| H21 | C2 | N25 | C26 | 24.4° | 31.8° |
| H21 | C2 | N25 | H251 | 100.9° | 148.2° |
| H21 | C2 | C3 | C10 | 43.9° | 38.3° |
| H21 | C2 | C3 | C4 | 80.0° | 80.5° |
| H21 | C2 | C3 | H31 | 157.8° | 160.8° |
| H21 | C2 | C1 | C5 | 82.7° | 80.4° |
| H21 | C2 | C1 | H11 | 151.9° | 38.3° |
| H21 | C2 | C1 | H12 | 42.5° | 160.9° |
| N25 | C26 | N30 | N27 | 177.4° | 179.9° |
| N25 | C26 | N30 | H301 | 148.4° | 180.0° |
| N25 | C26 | N27 | H271 | 180.0° | 180.0° |
| N25 | C26 | N27 | H272 | 54.7° | 0.1° |
| H251 | N25 | C26 | N30 | 130.2° | 179.9° |
| H251 | N25 | C26 | N27 | 52.4° | 0.0° |
| N30 | C26 | N27 | H271 | 2.4° | 0.1° |
| N30 | C26 | N27 | H272 | 127.7° | 180.0° |
| N27 | C26 | N30 | H301 | 29.0° | 0.1° |
| C26 | N27 | H271 | H272 | 125.3° | 179.9° |
| C10 | C3 | C4 | H31 | 114.2° | 122.6° |
| C3 | C10 | C24 | N11 | 123.2° | 120.1° |
| C3 | C10 | C24 | H101 | 118.0° | 120.0° |
| C3 | C10 | N11 | H101 | 118.0° | 120.0° |
| C3 | C10 | C24 | C37 | 60.3° | 65.9° |
| C3 | C10 | C24 | C36 | 175.0° | 174.0° |
| C3 | C10 | C24 | H241 | 56.0° | 54.0° |
| C3 | C10 | N11 | C13 | 105.0° | 54.3° |
| C3 | C10 | N11 | H111 | 75.0° | 125.7° |
| C10 | C3 | C4 | O9 | 38.2° | 22.9° |
| C10 | C3 | C4 | C5 | 153.4° | 142.3° |
| C10 | C3 | C4 | H41 | 83.3° | 98.4° |
| C4 | C3 | C10 | C24 | 58.1° | 71.7° |
| C4 | C3 | C10 | N11 | 178.6° | 168.3° |
| C4 | C3 | C10 | H101 | 59.8° | 48.2° |
| C3 | C4 | O9 | C5 | 113.3° | 117.3° |
| C3 | C4 | O9 | H41 | 123.1° | 121.4° |
| C3 | C4 | C5 | H41 | 122.7° | 119.3° |
| C3 | C4 | O9 | HO91 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 124.2° | 119.4° |
| C3 | C4 | C5 | C1 | 0.7° | 0.0° |
| C3 | C4 | C5 | H51 | 121.2° | 119.3° |
| H31 | C3 | C10 | C24 | 63.6° | 50.9° |
| H31 | C3 | C10 | N11 | 59.7° | 69.1° |
| H31 | C3 | C10 | H101 | 178.5° | 170.8° |
| H31 | C3 | C4 | O9 | 152.4° | 145.5° |
| H31 | C3 | C4 | C5 | 92.4° | 95.1° |
| H31 | C3 | C4 | H41 | 30.9° | 24.2° |
| C24 | C10 | N11 | H101 | 118.0° | 119.9° |
| C10 | C24 | C37 | C36 | 122.2° | 120.1° |
| C10 | C24 | C37 | H241 | 119.1° | 119.9° |
| C10 | C24 | C36 | H241 | 119.4° | 120.0° |
| C10 | C24 | C37 | C38 | 162.5° | 178.8° |
| C10 | C24 | C37 | H371 | 72.2° | 61.3° |
| C10 | C24 | C37 | H372 | 37.2° | 58.7° |
| C10 | C24 | C36 | C39 | 59.1° | 67.9° |
| C10 | C24 | C36 | H361 | 66.2° | 172.1° |
| C10 | C24 | C36 | H362 | 175.6° | 52.1° |
| C24 | C10 | N11 | C13 | 131.0° | 65.8° |
| C24 | C10 | N11 | H111 | 49.0° | 114.2° |
| N11 | C10 | C24 | C37 | 62.9° | 174.0° |
| N11 | C10 | C24 | C36 | 61.8° | 53.9° |
| N11 | C10 | C24 | H241 | 179.2° | 66.1° |
| C10 | N11 | C13 | H111 | 180.0° | 180.0° |
| C10 | N11 | C13 | C15 | 177.2° | 176.3° |
| C10 | N11 | C13 | O14 | 3.0° | 3.7° |
| H101 | C10 | C24 | C37 | 178.3° | 54.1° |
| H101 | C10 | C24 | C36 | 57.0° | 66.0° |
| H101 | C10 | C24 | H241 | 62.0° | 174.0° |
| H101 | C10 | N11 | C13 | 13.0° | 174.3° |
| H101 | C10 | N11 | H111 | 167.0° | 5.7° |
| C37 | C24 | C36 | H241 | 116.3° | 120.0° |
| C24 | C37 | C38 | H371 | 125.3° | 119.9° |
| C24 | C37 | C38 | H372 | 125.3° | 120.1° |
| C24 | C37 | H371 | H372 | 115.3° | 120.0° |
| C24 | C37 | C38 | H381 | 180.0° | 179.9° |
| C24 | C37 | C38 | H382 | 54.8° | 59.9° |
| C24 | C37 | C38 | H383 | 54.8° | 60.1° |
| C37 | C24 | C36 | C39 | 176.6° | 172.0° |
| C37 | C24 | C36 | H361 | 58.2° | 52.0° |
| C37 | C24 | C36 | H362 | 51.3° | 68.0° |
| C36 | C24 | C37 | C38 | 75.4° | 61.1° |
| C36 | C24 | C37 | H371 | 49.9° | 58.8° |
| C36 | C24 | C37 | H372 | 159.4° | 178.8° |
| C24 | C36 | C39 | H361 | 125.2° | 120.0° |
| C24 | C36 | C39 | H362 | 125.3° | 120.0° |
| C24 | C36 | H361 | H362 | 116.1° | 120.0° |
| C24 | C36 | C39 | H391 | 180.0° | 166.2° |
| C24 | C36 | C39 | H392 | 54.7° | 73.8° |
| C24 | C36 | C39 | H393 | 54.7° | 46.3° |
| H241 | C24 | C37 | C38 | 43.3° | 58.9° |
| H241 | C24 | C37 | H371 | 168.6° | 178.8° |
| H241 | C24 | C37 | H372 | 81.9° | 61.2° |
| H241 | C24 | C36 | C39 | 60.3° | 52.0° |
| H241 | C24 | C36 | H361 | 174.4° | 68.0° |
| H241 | C24 | C36 | H362 | 65.0° | 172.0° |
| C38 | C37 | H371 | H372 | 115.3° | 120.1° |
| C37 | C38 | H381 | H382 | 125.2° | 120.0° |
| C37 | C38 | H381 | H383 | 125.2° | 120.0° |
| C37 | C38 | H382 | H383 | 115.3° | 120.0° |
| H371 | C37 | C38 | H381 | 54.7° | 60.0° |
| H371 | C37 | C38 | H382 | 180.0° | 59.9° |
| H371 | C37 | C38 | H383 | 70.5° | 179.9° |
| H372 | C37 | C38 | H381 | 54.7° | 60.0° |
| H372 | C37 | C38 | H382 | 70.5° | 180.0° |
| H372 | C37 | C38 | H383 | 179.9° | 60.0° |
| H381 | C38 | H382 | H383 | 115.4° | 120.0° |
| C39 | C36 | H361 | H362 | 116.2° | 120.0° |
| C36 | C39 | H391 | H392 | 125.3° | 120.0° |
| C36 | C39 | H391 | H393 | 125.2° | 120.0° |
| C36 | C39 | H392 | H393 | 116.1° | 120.0° |
| H361 | C36 | C39 | H391 | 54.7° | 46.2° |
| H361 | C36 | C39 | H392 | 179.9° | 166.2° |
| H361 | C36 | C39 | H393 | 70.5° | 73.7° |
| H362 | C36 | C39 | H391 | 54.8° | 73.8° |
| H362 | C36 | C39 | H392 | 70.6° | 46.2° |
| H362 | C36 | C39 | H393 | 180.0° | 166.3° |
| H391 | C39 | H392 | H393 | 116.2° | 120.0° |
| N11 | C13 | C15 | O14 | 179.9° | 179.9° |
| N11 | C13 | C15 | H151 | 180.0° | 180.0° |
| N11 | C13 | C15 | H152 | 54.7° | 60.0° |
| N11 | C13 | C15 | H153 | 54.7° | 60.0° |
| H111 | N11 | C13 | C15 | 2.8° | 3.6° |
| H111 | N11 | C13 | O14 | 177.1° | 176.3° |
| C13 | C15 | H151 | H152 | 125.3° | 120.0° |
| C13 | C15 | H151 | H153 | 125.3° | 120.0° |
| C13 | C15 | H152 | H153 | 114.9° | 120.0° |
| O14 | C13 | C15 | H151 | 0.1° | 0.0° |
| O14 | C13 | C15 | H152 | 125.4° | 120.0° |
| O14 | C13 | C15 | H153 | 125.2° | 120.0° |
| H151 | C15 | H152 | H153 | 114.9° | 120.0° |
| O9 | C4 | C5 | H41 | 121.5° | 121.3° |
| O9 | C4 | C5 | C6 | 120.0° | 121.3° |
| O9 | C4 | C5 | C1 | 115.1° | 119.4° |
| O9 | C4 | C5 | H51 | 5.4° | 0.0° |
| C5 | C4 | O9 | HO91 | 66.7° | 62.8° |
| C4 | C5 | C6 | C1 | 121.1° | 117.2° |
| C4 | C5 | C6 | H51 | 119.0° | 121.4° |
| C4 | C5 | C1 | H51 | 119.5° | 119.3° |
| C4 | C5 | C6 | O8 | 164.4° | 0.0° |
| C4 | C5 | C6 | O7 | 12.0° | 180.0° |
| C4 | C5 | C1 | H11 | 99.3° | 142.3° |
| C4 | C5 | C1 | H12 | 151.3° | 95.1° |
| H41 | C4 | O9 | HO91 | 57.0° | 58.6° |
| H41 | C4 | C5 | C6 | 1.4° | 0.0° |
| H41 | C4 | C5 | C1 | 123.4° | 119.3° |
| H41 | C4 | C5 | H51 | 116.1° | 121.4° |
| C6 | C5 | C1 | H51 | 114.7° | 121.4° |
| C5 | C6 | O8 | O7 | 176.3° | 180.0° |
| C5 | C6 | O7 | HO71 | 180.0° | 180.0° |
| C6 | C5 | C1 | H11 | 26.5° | 98.4° |
| C6 | C5 | C1 | H12 | 82.9° | 24.3° |
| C1 | C5 | C6 | O8 | 43.3° | 117.2° |
| C1 | C5 | C6 | O7 | 133.0° | 62.8° |
| C5 | C1 | H11 | H12 | 120.0° | 122.6° |
| H51 | C5 | C6 | O8 | 76.7° | 121.4° |
| H51 | C5 | C6 | O7 | 107.0° | 58.7° |
| H51 | C5 | C1 | H11 | 141.2° | 23.0° |
| H51 | C5 | C1 | H12 | 31.7° | 145.6° |
| O8 | C6 | O7 | HO71 | 3.4° | 0.1° |
