BKL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C30 | O29 | sing | 1.43Å | 1.42Å | |
| O29 | C22 | sing | 1.43Å | 1.42Å | |
| C28 | C26 | sing | 1.50Å | 1.51Å | |
| C26 | C27 | sing | 1.51Å | 1.52Å | |
| C26 | C25 | doub | 1.32Å | 1.35Å | |
| C22 | C23 | sing | 1.51Å | 1.52Å | |
| C22 | C21 | sing | 1.54Å | 1.63Å | |
| C27 | C04 | sing | 1.51Å | 1.52Å | |
| O32 | C21 | sing | 1.44Å | 1.41Å | |
| C24 | C23 | doub | 1.33Å | 1.35Å | |
| C24 | C25 | sing | 1.47Å | 1.48Å | |
| C21 | N20 | sing | 1.45Å | 1.48Å | |
| C21 | C31 | sing | 1.51Å | 1.57Å | |
| N20 | C18 | sing | 1.35Å | 1.41Å | |
| C04 | C03 | doub | 1.39Å | 1.40Å | Aromatic |
| C04 | C05 | sing | 1.38Å | 1.40Å | Aromatic |
| C03 | C02 | sing | 1.39Å | 1.40Å | Aromatic |
| C05 | C06 | doub | 1.39Å | 1.41Å | Aromatic |
| O19 | C18 | doub | 1.21Å | 1.22Å | |
| C18 | O17 | sing | 1.34Å | 1.36Å | |
| C31 | C16 | sing | 1.50Å | 1.53Å | |
| C02 | O37 | sing | 1.36Å | 1.39Å | |
| C02 | C01 | doub | 1.39Å | 1.40Å | Aromatic |
| C06 | C01 | sing | 1.39Å | 1.40Å | Aromatic |
| C06 | N07 | sing | 1.41Å | 1.44Å | |
| O35 | C11 | sing | 1.43Å | 1.41Å | |
| O17 | C16 | sing | 1.44Å | 1.41Å | |
| C16 | C15 | sing | 1.54Å | 1.56Å | |
| C36 | N07 | sing | 1.47Å | 1.48Å | |
| C38 | O37 | sing | 1.43Å | 1.43Å | |
| C01 | CL3 | sing | 1.73Å | 1.70Å | |
| N07 | C08 | sing | 1.36Å | 1.44Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C11 | C10 | sing | 1.52Å | 1.54Å | |
| C08 | C10 | sing | 1.51Å | 1.54Å | |
| C08 | O09 | doub | 1.22Å | 1.22Å | |
| C12 | C14 | sing | 1.52Å | 1.55Å | |
| C12 | O34 | sing | 1.44Å | 1.42Å | |
| C15 | C14 | sing | 1.53Å | 1.55Å | |
| C15 | C33 | sing | 1.53Å | 1.54Å | |
| C14 | O34 | sing | 1.43Å | 1.43Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.10Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H133 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C28 | H283 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.10Å | 1.10Å | |
| C16 | H161 | sing | 1.10Å | 1.10Å | |
| N20 | H201 | sing | 0.97Å | 1.00Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.09Å | 1.08Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C30 | H303 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.10Å | 1.10Å | |
| O32 | H321 | sing | 0.97Å | 0.95Å | |
| C33 | H333 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| O35 | H351 | sing | 0.97Å | 0.95Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C36 | H363 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C38 | H383 | sing | 1.09Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C30 | O29 | C22 | 120.7° | 114.0° |
| O29 | C30 | H301 | 109.5° | 109.5° |
| O29 | C30 | H302 | 109.5° | 109.5° |
| O29 | C30 | H303 | 109.4° | 109.5° |
| O29 | C22 | C23 | 113.9° | 109.9° |
| O29 | C22 | C21 | 104.0° | 110.0° |
| O29 | C22 | H221 | 109.1° | 110.1° |
| C28 | C26 | C27 | 116.5° | 119.4° |
| C28 | C26 | C25 | 121.5° | 121.2° |
| C26 | C28 | H282 | 109.5° | 109.5° |
| C26 | C28 | H283 | 109.5° | 109.5° |
| C26 | C28 | H281 | 109.5° | 109.5° |
| C27 | C26 | C25 | 121.3° | 119.4° |
| C26 | C27 | C04 | 122.3° | 110.2° |
| C26 | C27 | H272 | 106.2° | 109.3° |
| C26 | C27 | H271 | 106.2° | 109.4° |
| C26 | C25 | C24 | 125.9° | 123.0° |
| C26 | C25 | H251 | 117.1° | 118.8° |
| C23 | C22 | C21 | 115.2° | 107.6° |
| C22 | C23 | C24 | 127.4° | 121.1° |
| C23 | C22 | H221 | 107.8° | 109.6° |
| C22 | C23 | H231 | 116.3° | 118.4° |
| C22 | C21 | O32 | 102.6° | 106.5° |
| C22 | C21 | N20 | 116.1° | 111.8° |
| C22 | C21 | C31 | 114.1° | 110.0° |
| C21 | C22 | H221 | 106.5° | 109.5° |
| C27 | C04 | C03 | 120.0° | 119.4° |
| C27 | C04 | C05 | 121.6° | 120.9° |
| C04 | C27 | H272 | 106.2° | 109.0° |
| C04 | C27 | H271 | 106.2° | 109.6° |
| O32 | C21 | N20 | 108.5° | 107.5° |
| O32 | C21 | C31 | 111.0° | 109.0° |
| C21 | O32 | H321 | 109.5° | 114.0° |
| C23 | C24 | C25 | 124.4° | 119.7° |
| C23 | C24 | H241 | 117.8° | 119.4° |
| C24 | C23 | H231 | 116.3° | 120.6° |
| C25 | C24 | H241 | 117.8° | 120.9° |
| C24 | C25 | H251 | 117.0° | 118.2° |
| N20 | C21 | C31 | 104.6° | 111.8° |
| C21 | N20 | C18 | 120.1° | 122.0° |
| C21 | N20 | H201 | 119.9° | 119.5° |
| C21 | C31 | C16 | 112.2° | 113.6° |
| C21 | C31 | H312 | 108.8° | 108.4° |
| C21 | C31 | H311 | 108.8° | 108.1° |
| N20 | C18 | O19 | 124.6° | 120.8° |
| N20 | C18 | O17 | 119.5° | 117.0° |
| C18 | N20 | H201 | 120.0° | 118.5° |
| C03 | C04 | C05 | 118.4° | 119.7° |
| C04 | C03 | C02 | 119.8° | 119.6° |
| C04 | C03 | H031 | 120.1° | 120.0° |
| C04 | C05 | C06 | 122.6° | 121.4° |
| C04 | C05 | H051 | 118.7° | 119.3° |
| C03 | C02 | O37 | 118.5° | 120.0° |
| C03 | C02 | C01 | 120.6° | 120.4° |
| C02 | C03 | H031 | 120.1° | 120.4° |
| C05 | C06 | C01 | 117.6° | 118.7° |
| C05 | C06 | N07 | 118.0° | 119.4° |
| C06 | C05 | H051 | 118.7° | 119.2° |
| O19 | C18 | O17 | 115.9° | 122.1° |
| C18 | O17 | C16 | 122.5° | 115.7° |
| C31 | C16 | O17 | 113.7° | 113.3° |
| C31 | C16 | C15 | 109.0° | 110.6° |
| C31 | C16 | H161 | 110.0° | 109.9° |
| C16 | C31 | H312 | 108.8° | 110.4° |
| C16 | C31 | H311 | 108.8° | 108.6° |
| O37 | C02 | C01 | 120.8° | 119.5° |
| C02 | O37 | C38 | 118.6° | 117.1° |
| C02 | C01 | C06 | 120.9° | 120.0° |
| C02 | C01 | CL3 | 118.8° | 118.2° |
| C01 | C06 | N07 | 124.4° | 122.0° |
| C06 | C01 | CL3 | 120.4° | 121.8° |
| C06 | N07 | C36 | 118.5° | 121.6° |
| C06 | N07 | C08 | 124.6° | 117.6° |
| O35 | C11 | C12 | 105.5° | 108.7° |
| O35 | C11 | C10 | 106.1° | 110.4° |
| O35 | C11 | H111 | 110.2° | 108.8° |
| C11 | O35 | H351 | 109.5° | 114.0° |
| O17 | C16 | C15 | 102.3° | 108.3° |
| O17 | C16 | H161 | 111.9° | 108.1° |
| C16 | C15 | C14 | 112.5° | 108.9° |
| C16 | C15 | C33 | 114.3° | 108.8° |
| C16 | C15 | H151 | 105.8° | 109.0° |
| C15 | C16 | H161 | 109.6° | 106.4° |
| C36 | N07 | C08 | 116.9° | 120.7° |
| N07 | C36 | H362 | 109.5° | 109.4° |
| N07 | C36 | H363 | 109.5° | 109.5° |
| N07 | C36 | H361 | 109.5° | 109.5° |
| O37 | C38 | H381 | 109.5° | 109.4° |
| O37 | C38 | H383 | 109.5° | 109.4° |
| O37 | C38 | H382 | 109.5° | 109.5° |
| N07 | C08 | C10 | 120.1° | 121.3° |
| N07 | C08 | O09 | 119.4° | 120.2° |
| C13 | C12 | C11 | 118.6° | 116.4° |
| C13 | C12 | C14 | 123.0° | 120.3° |
| C13 | C12 | O34 | 113.0° | 116.9° |
| C12 | C13 | H132 | 109.5° | 109.4° |
| C12 | C13 | H133 | 109.5° | 109.5° |
| C12 | C13 | H131 | 109.5° | 109.5° |
| C12 | C11 | C10 | 118.0° | 111.3° |
| C11 | C12 | C14 | 114.5° | 115.8° |
| C11 | C12 | O34 | 114.5° | 117.0° |
| C12 | C11 | H111 | 108.4° | 108.3° |
| C11 | C10 | C08 | 110.8° | 112.0° |
| C11 | C10 | H101 | 109.1° | 110.1° |
| C11 | C10 | H102 | 109.1° | 109.3° |
| C10 | C11 | H111 | 108.4° | 109.4° |
| C10 | C08 | O09 | 120.4° | 118.5° |
| C08 | C10 | H101 | 109.1° | 110.2° |
| C08 | C10 | H102 | 109.1° | 107.6° |
| C14 | C12 | O34 | 57.6° | 57.5° |
| C12 | C14 | C15 | 126.1° | 121.7° |
| C12 | C14 | O34 | 56.7° | 58.4° |
| C12 | C14 | H141 | 114.4° | 114.4° |
| C12 | O34 | C14 | 65.6° | 64.1° |
| C14 | C15 | C33 | 111.4° | 110.5° |
| C15 | C14 | O34 | 116.5° | 118.9° |
| C14 | C15 | H151 | 106.0° | 110.2° |
| C15 | C14 | H141 | 114.3° | 115.1° |
| C33 | C15 | H151 | 106.1° | 109.4° |
| C15 | C33 | H333 | 109.5° | 109.5° |
| C15 | C33 | H332 | 109.5° | 109.5° |
| C15 | C33 | H331 | 109.5° | 109.5° |
| O34 | C14 | H141 | 116.4° | 116.8° |
| H101 | C10 | H102 | 109.5° | 107.5° |
| H132 | C13 | H133 | 109.5° | 109.5° |
| H132 | C13 | H131 | 109.5° | 109.4° |
| H133 | C13 | H131 | 109.4° | 109.5° |
| H282 | C28 | H283 | 109.5° | 109.4° |
| H282 | C28 | H281 | 109.5° | 109.5° |
| H283 | C28 | H281 | 109.5° | 109.4° |
| H272 | C27 | H271 | 109.5° | 109.3° |
| H301 | C30 | H302 | 109.5° | 109.4° |
| H301 | C30 | H303 | 109.4° | 109.5° |
| H302 | C30 | H303 | 109.5° | 109.5° |
| H312 | C31 | H311 | 109.5° | 107.4° |
| H333 | C33 | H332 | 109.5° | 109.5° |
| H333 | C33 | H331 | 109.4° | 109.4° |
| H332 | C33 | H331 | 109.5° | 109.5° |
| H362 | C36 | H363 | 109.5° | 109.5° |
| H362 | C36 | H361 | 109.5° | 109.5° |
| H363 | C36 | H361 | 109.5° | 109.5° |
| H381 | C38 | H383 | 109.5° | 109.4° |
| H381 | C38 | H382 | 109.4° | 109.5° |
| H383 | C38 | H382 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C30 | O29 | C22 | C23 | 159.9° | 90.0° |
| C30 | O29 | C22 | C21 | 73.9° | 151.7° |
| C30 | O29 | C22 | H221 | 39.4° | 30.8° |
| O29 | C30 | H301 | H302 | 120.0° | 120.0° |
| O29 | C30 | H301 | H303 | 120.0° | 120.0° |
| O29 | C30 | H302 | H303 | 120.0° | 120.0° |
| O29 | C22 | C23 | C21 | 120.1° | 119.8° |
| O29 | C22 | C23 | H221 | 121.2° | 121.1° |
| O29 | C22 | C21 | H221 | 115.1° | 121.2° |
| O29 | C22 | C21 | O32 | 39.1° | 51.8° |
| O29 | C22 | C23 | C24 | 87.0° | 42.8° |
| O29 | C22 | C21 | N20 | 79.0° | 65.4° |
| O29 | C22 | C21 | C31 | 159.2° | 169.8° |
| O29 | C22 | C23 | H231 | 93.0° | 137.0° |
| C22 | O29 | C30 | H301 | 180.0° | 180.0° |
| C22 | O29 | C30 | H302 | 60.0° | 60.0° |
| C22 | O29 | C30 | H303 | 60.0° | 60.0° |
| C28 | C26 | C27 | C25 | 170.0° | 179.3° |
| C28 | C26 | C27 | C04 | 92.6° | 69.3° |
| C28 | C26 | C25 | C24 | 21.8° | 1.8° |
| C26 | C28 | H282 | H283 | 120.0° | 120.0° |
| C26 | C28 | H282 | H281 | 120.0° | 120.1° |
| C26 | C28 | H283 | H281 | 120.0° | 120.0° |
| C28 | C26 | C25 | H251 | 158.2° | 177.9° |
| C28 | C26 | C27 | H272 | 29.1° | 50.4° |
| C28 | C26 | C27 | H271 | 145.6° | 170.1° |
| C26 | C27 | C04 | H272 | 121.8° | 119.9° |
| C26 | C27 | C04 | H271 | 121.8° | 120.4° |
| C27 | C26 | C25 | C24 | 168.8° | 178.9° |
| C26 | C27 | C04 | C03 | 142.3° | 140.9° |
| C26 | C27 | C04 | C05 | 37.7° | 40.0° |
| C27 | C26 | C28 | H282 | 180.0° | 90.0° |
| C27 | C26 | C28 | H283 | 60.0° | 150.0° |
| C27 | C26 | C28 | H281 | 60.0° | 30.0° |
| C27 | C26 | C25 | H251 | 11.2° | 1.4° |
| C26 | C27 | H272 | H271 | 114.2° | 119.7° |
| C25 | C26 | C27 | C04 | 77.3° | 111.4° |
| C26 | C25 | C24 | C23 | 61.7° | 178.5° |
| C26 | C25 | C24 | H251 | 180.0° | 179.7° |
| C26 | C25 | C24 | H241 | 118.3° | 2.0° |
| C25 | C26 | C28 | H282 | 10.1° | 90.7° |
| C25 | C26 | C28 | H283 | 130.1° | 29.3° |
| C25 | C26 | C28 | H281 | 109.9° | 149.2° |
| C25 | C26 | C27 | H272 | 160.9° | 128.9° |
| C25 | C26 | C27 | H271 | 44.5° | 9.2° |
| C23 | C22 | C21 | H221 | 119.5° | 119.1° |
| C23 | C22 | C21 | O32 | 86.2° | 68.0° |
| C22 | C23 | C24 | H231 | 180.0° | 179.8° |
| C22 | C23 | C24 | C25 | 178.7° | 177.6° |
| C23 | C22 | C21 | N20 | 155.6° | 174.9° |
| C23 | C22 | C21 | C31 | 33.9° | 50.0° |
| C22 | C23 | C24 | H241 | 1.3° | 2.9° |
| C22 | C21 | O32 | N20 | 123.4° | 120.0° |
| C22 | C21 | O32 | C31 | 122.2° | 118.6° |
| C21 | C22 | C23 | C24 | 153.0° | 77.0° |
| C22 | C21 | N20 | C31 | 126.7° | 123.9° |
| C22 | C21 | N20 | C18 | 78.9° | 164.1° |
| C22 | C21 | C31 | C16 | 74.1° | 141.7° |
| C22 | C21 | N20 | H201 | 101.1° | 15.6° |
| C21 | C22 | C23 | H231 | 27.1° | 103.2° |
| C22 | C21 | C31 | H312 | 165.5° | 95.2° |
| C22 | C21 | C31 | H311 | 46.3° | 21.0° |
| C22 | C21 | O32 | H321 | 180.0° | 60.0° |
| C27 | C04 | C03 | C05 | 180.0° | 179.0° |
| C27 | C04 | C03 | C02 | 179.8° | 178.3° |
| C27 | C04 | C05 | C06 | 179.8° | 177.1° |
| C27 | C04 | C03 | H031 | 0.2° | 1.6° |
| C27 | C04 | C05 | H051 | 0.2° | 4.5° |
| C04 | C27 | H272 | H271 | 114.2° | 119.8° |
| O32 | C21 | N20 | C31 | 118.5° | 119.6° |
| O32 | C21 | N20 | C18 | 166.3° | 79.3° |
| O32 | C21 | C31 | C16 | 170.6° | 101.9° |
| O32 | C21 | C22 | H221 | 154.3° | 172.9° |
| O32 | C21 | N20 | H201 | 13.7° | 100.9° |
| O32 | C21 | C31 | H312 | 50.2° | 21.2° |
| O32 | C21 | C31 | H311 | 69.0° | 137.4° |
| C23 | C24 | C25 | H241 | 180.0° | 179.5° |
| C24 | C23 | C22 | H221 | 34.2° | 164.0° |
| C23 | C24 | C25 | H251 | 118.3° | 1.8° |
| C25 | C24 | C23 | H231 | 1.3° | 2.6° |
| C21 | N20 | C18 | H201 | 180.0° | 179.7° |
| C21 | N20 | C18 | O19 | 150.1° | 160.9° |
| C21 | N20 | C18 | O17 | 30.2° | 15.4° |
| N20 | C21 | C31 | C16 | 53.8° | 16.8° |
| N20 | C21 | C22 | H221 | 36.2° | 55.8° |
| N20 | C21 | C31 | H312 | 66.6° | 139.9° |
| N20 | C21 | C31 | H311 | 174.2° | 103.9° |
| N20 | C21 | O32 | H321 | 56.6° | 60.0° |
| C31 | C21 | N20 | C18 | 47.8° | 40.2° |
| C21 | C31 | C16 | H312 | 120.4° | 122.0° |
| C21 | C31 | C16 | H311 | 120.4° | 120.4° |
| C21 | C31 | C16 | O17 | 45.0° | 25.1° |
| C21 | C31 | C16 | C15 | 158.4° | 146.9° |
| C31 | C21 | C22 | H221 | 85.6° | 69.1° |
| C21 | C31 | C16 | H161 | 81.4° | 95.9° |
| C31 | C21 | N20 | H201 | 132.2° | 139.5° |
| C21 | C31 | H312 | H311 | 118.8° | 116.7° |
| C31 | C21 | O32 | H321 | 57.8° | 178.6° |
| N20 | C18 | O19 | O17 | 179.7° | 176.0° |
| N20 | C18 | O17 | C16 | 16.2° | 33.0° |
| C04 | C03 | C02 | H031 | 180.0° | 179.9° |
| C03 | C04 | C05 | C06 | 0.2° | 2.0° |
| C04 | C03 | C02 | O37 | 179.7° | 179.2° |
| C04 | C03 | C02 | C01 | 0.5° | 2.0° |
| C03 | C04 | C05 | H051 | 179.8° | 176.5° |
| C03 | C04 | C27 | H272 | 95.9° | 21.0° |
| C03 | C04 | C27 | H271 | 20.5° | 98.6° |
| C05 | C04 | C03 | C02 | 0.2° | 0.8° |
| C04 | C05 | C06 | H051 | 180.0° | 178.5° |
| C04 | C05 | C06 | C01 | 0.6° | 0.3° |
| C04 | C05 | C06 | N07 | 179.5° | 178.3° |
| C05 | C04 | C03 | H031 | 179.8° | 179.3° |
| C05 | C04 | C27 | H272 | 84.1° | 160.0° |
| C05 | C04 | C27 | H271 | 159.5° | 80.4° |
| C03 | C02 | O37 | C01 | 179.1° | 178.8° |
| C03 | C02 | C01 | C06 | 0.9° | 3.7° |
| C03 | C02 | O37 | C38 | 114.2° | 1.2° |
| C03 | C02 | C01 | CL3 | 179.8° | 176.6° |
| C05 | C06 | C01 | C02 | 0.9° | 2.5° |
| C05 | C06 | C01 | N07 | 178.8° | 178.6° |
| C05 | C06 | N07 | C36 | 101.1° | 143.9° |
| C05 | C06 | C01 | CL3 | 179.8° | 177.8° |
| C05 | C06 | N07 | C08 | 80.2° | 34.0° |
| O19 | C18 | O17 | C16 | 164.1° | 150.8° |
| O19 | C18 | N20 | H201 | 30.0° | 19.4° |
| C18 | O17 | C16 | C31 | 24.7° | 53.1° |
| C18 | O17 | C16 | C15 | 142.1° | 176.2° |
| C18 | O17 | C16 | H161 | 100.7° | 69.0° |
| O17 | C18 | N20 | H201 | 149.8° | 164.4° |
| C31 | C16 | O17 | C15 | 117.4° | 123.1° |
| C31 | C16 | O17 | H161 | 125.4° | 122.0° |
| C31 | C16 | C15 | H161 | 120.4° | 119.3° |
| C31 | C16 | C15 | C14 | 52.1° | 58.4° |
| C31 | C16 | C15 | C33 | 179.6° | 62.1° |
| C31 | C16 | C15 | H151 | 63.2° | 178.7° |
| C16 | C31 | H312 | H311 | 118.7° | 118.3° |
| O37 | C02 | C01 | C06 | 180.0° | 177.5° |
| O37 | C02 | C01 | CL3 | 0.6° | 2.2° |
| O37 | C02 | C03 | H031 | 0.3° | 0.9° |
| C02 | O37 | C38 | H381 | 180.0° | 60.0° |
| C02 | O37 | C38 | H383 | 60.0° | 60.0° |
| C02 | O37 | C38 | H382 | 60.0° | 180.0° |
| C02 | C01 | C06 | CL3 | 179.3° | 179.7° |
| C02 | C01 | C06 | N07 | 179.7° | 178.9° |
| C01 | C02 | O37 | C38 | 66.7° | 180.0° |
| C01 | C02 | C03 | H031 | 179.5° | 177.9° |
| C01 | C06 | N07 | C36 | 80.1° | 37.5° |
| C01 | C06 | N07 | C08 | 98.6° | 144.5° |
| C01 | C06 | C05 | H051 | 179.4° | 178.2° |
| C06 | N07 | C36 | C08 | 178.8° | 177.9° |
| N07 | C06 | C01 | CL3 | 0.9° | 0.7° |
| C06 | N07 | C08 | C10 | 1.9° | 178.0° |
| C06 | N07 | C08 | O09 | 179.8° | 0.1° |
| N07 | C06 | C05 | H051 | 0.5° | 3.2° |
| C06 | N07 | C36 | H362 | 180.0° | 90.0° |
| C06 | N07 | C36 | H363 | 60.0° | 150.0° |
| C06 | N07 | C36 | H361 | 60.0° | 30.0° |
| O35 | C11 | C12 | C13 | 61.7° | 179.6° |
| O35 | C11 | C12 | C10 | 118.3° | 121.7° |
| O35 | C11 | C12 | H111 | 118.0° | 118.0° |
| O35 | C11 | C10 | H111 | 118.3° | 119.6° |
| O35 | C11 | C10 | C08 | 56.6° | 3.4° |
| O35 | C11 | C12 | C14 | 96.8° | 29.7° |
| O35 | C11 | C12 | O34 | 160.7° | 35.3° |
| O35 | C11 | C10 | H101 | 63.7° | 126.3° |
| O35 | C11 | C10 | H102 | 176.7° | 115.8° |
| O17 | C16 | C15 | H161 | 118.8° | 116.0° |
| O17 | C16 | C15 | C14 | 172.8° | 66.3° |
| O17 | C16 | C15 | C33 | 58.9° | 173.2° |
| O17 | C16 | C15 | H151 | 57.5° | 53.9° |
| O17 | C16 | C31 | H312 | 75.4° | 97.0° |
| O17 | C16 | C31 | H311 | 165.4° | 145.5° |
| C16 | C15 | C14 | C12 | 42.1° | 169.9° |
| C16 | C15 | C14 | C33 | 129.9° | 119.4° |
| C16 | C15 | C14 | H151 | 115.2° | 119.5° |
| C16 | C15 | C33 | H151 | 116.2° | 119.0° |
| C16 | C15 | C14 | O34 | 108.8° | 101.3° |
| C16 | C15 | C14 | H141 | 110.8° | 44.6° |
| C15 | C16 | C31 | H312 | 38.0° | 24.8° |
| C15 | C16 | C31 | H311 | 81.2° | 92.7° |
| C16 | C15 | C33 | H333 | 180.0° | 59.5° |
| C16 | C15 | C33 | H332 | 60.0° | 60.5° |
| C16 | C15 | C33 | H331 | 60.0° | 179.4° |
| C36 | N07 | C08 | C10 | 179.4° | 4.0° |
| C36 | N07 | C08 | O09 | 1.1° | 177.9° |
| N07 | C36 | H362 | H363 | 120.0° | 120.0° |
| N07 | C36 | H362 | H361 | 120.0° | 120.0° |
| N07 | C36 | H363 | H361 | 120.0° | 120.0° |
| O37 | C38 | H381 | H383 | 120.0° | 119.9° |
| O37 | C38 | H381 | H382 | 120.0° | 120.0° |
| O37 | C38 | H383 | H382 | 120.0° | 120.0° |
| N07 | C08 | C10 | C11 | 125.6° | 73.2° |
| N07 | C08 | C10 | O09 | 178.3° | 178.1° |
| N07 | C08 | C10 | H101 | 5.4° | 49.7° |
| N07 | C08 | C10 | H102 | 114.2° | 166.6° |
| C08 | N07 | C36 | H362 | 1.2° | 92.1° |
| C08 | N07 | C36 | H363 | 121.2° | 27.9° |
| C08 | N07 | C36 | H361 | 118.8° | 147.9° |
| C13 | C12 | C11 | C14 | 158.5° | 150.0° |
| C13 | C12 | C11 | O34 | 137.5° | 145.0° |
| C13 | C12 | C11 | C10 | 56.6° | 57.9° |
| C13 | C12 | C14 | O34 | 98.1° | 104.4° |
| C13 | C12 | C14 | C15 | 2.4° | 2.3° |
| C12 | C13 | H132 | H133 | 120.0° | 120.0° |
| C12 | C13 | H132 | H131 | 120.0° | 120.0° |
| C12 | C13 | H133 | H131 | 120.0° | 120.1° |
| C13 | C12 | C11 | H111 | 179.7° | 62.3° |
| C13 | C12 | C14 | H141 | 155.2° | 148.0° |
| C12 | C11 | C10 | H111 | 123.7° | 119.6° |
| C12 | C11 | C10 | C08 | 174.6° | 124.1° |
| C11 | C12 | C14 | O34 | 104.5° | 106.9° |
| C11 | C12 | C14 | C15 | 155.0° | 146.5° |
| C12 | C11 | C10 | H101 | 54.3° | 112.9° |
| C12 | C11 | C10 | H102 | 65.3° | 4.9° |
| C11 | C12 | C13 | H132 | 180.0° | 85.6° |
| C11 | C12 | C13 | H133 | 60.0° | 154.4° |
| C11 | C12 | C13 | H131 | 60.0° | 34.4° |
| C11 | C12 | C14 | H141 | 2.2° | 0.8° |
| C12 | C11 | O35 | H351 | 180.0° | 180.0° |
| C11 | C10 | C08 | H101 | 120.2° | 123.0° |
| C11 | C10 | C08 | H102 | 120.2° | 120.2° |
| C11 | C10 | C08 | O09 | 52.6° | 108.6° |
| C10 | C11 | C12 | C14 | 144.9° | 92.1° |
| C10 | C11 | C12 | O34 | 80.9° | 157.1° |
| C11 | C10 | H101 | H102 | 119.4° | 119.0° |
| C10 | C11 | O35 | H351 | 54.0° | 57.7° |
| C08 | C10 | H101 | H102 | 119.4° | 116.9° |
| C08 | C10 | C11 | H111 | 61.8° | 116.3° |
| O09 | C08 | C10 | H101 | 172.9° | 128.4° |
| O09 | C08 | C10 | H102 | 67.6° | 11.5° |
| C12 | C14 | C15 | O34 | 66.7° | 68.7° |
| C12 | C14 | C15 | H141 | 152.9° | 145.5° |
| C12 | C14 | C15 | C33 | 87.8° | 70.6° |
| C12 | C14 | O34 | H141 | 103.0° | 103.4° |
| C14 | C12 | C13 | H132 | 23.5° | 63.0° |
| C14 | C12 | C13 | H133 | 143.5° | 57.1° |
| C14 | C12 | C13 | H131 | 96.5° | 177.1° |
| C12 | C14 | C15 | H151 | 157.3° | 50.5° |
| C14 | C12 | C11 | H111 | 21.3° | 147.7° |
| O34 | C12 | C13 | H132 | 41.8° | 129.3° |
| O34 | C12 | C13 | H133 | 78.2° | 9.3° |
| O34 | C12 | C13 | H131 | 161.9° | 110.7° |
| O34 | C12 | C11 | H111 | 42.7° | 82.7° |
| C14 | C15 | C33 | H151 | 114.9° | 121.6° |
| C15 | C14 | O34 | H141 | 139.6° | 145.3° |
| C14 | C15 | C16 | H161 | 68.4° | 177.7° |
| C14 | C15 | C33 | H333 | 51.1° | 60.0° |
| C14 | C15 | C33 | H332 | 68.9° | 180.0° |
| C14 | C15 | C33 | H331 | 171.1° | 60.0° |
| C33 | C15 | C14 | O34 | 21.1° | 139.3° |
| C33 | C15 | C14 | H141 | 119.4° | 74.8° |
| C33 | C15 | C16 | H161 | 59.9° | 57.2° |
| C15 | C33 | H333 | H332 | 120.0° | 120.0° |
| C15 | C33 | H333 | H331 | 120.0° | 120.0° |
| C15 | C33 | H332 | H331 | 120.0° | 120.1° |
| O34 | C14 | C15 | H151 | 136.0° | 18.2° |
| H101 | C10 | C11 | H111 | 178.0° | 6.7° |
| H102 | C10 | C11 | H111 | 58.4° | 124.5° |
| H132 | C13 | H133 | H131 | 120.0° | 119.9° |
| H151 | C15 | C14 | H141 | 4.4° | 164.1° |
| H151 | C15 | C16 | H161 | 176.3° | 62.1° |
| H151 | C15 | C33 | H333 | 63.7° | 178.4° |
| H151 | C15 | C33 | H332 | 176.2° | 58.4° |
| H151 | C15 | C33 | H331 | 56.2° | 61.6° |
| H221 | C22 | C23 | H231 | 145.8° | 15.9° |
| H241 | C24 | C23 | H231 | 178.7° | 177.0° |
| H241 | C24 | C25 | H251 | 61.7° | 177.7° |
| H282 | C28 | H283 | H281 | 120.0° | 119.9° |
| H111 | C11 | O35 | H351 | 63.1° | 62.3° |
| H161 | C16 | C31 | H312 | 158.2° | 142.0° |
| H161 | C16 | C31 | H311 | 39.0° | 24.5° |
| H301 | C30 | H302 | H303 | 120.0° | 120.0° |
| H333 | C33 | H332 | H331 | 119.9° | 119.9° |
| H362 | C36 | H363 | H361 | 120.0° | 120.0° |
| H381 | C38 | H383 | H382 | 120.0° | 120.0° |
