HB6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N36 | C35 | sing | 1.35Å | 1.47Å | |
| C35 | O37 | doub | 1.21Å | 1.20Å | |
| C35 | C34 | sing | 1.51Å | 1.58Å | |
| C34 | N12 | sing | 1.47Å | 1.46Å | |
| C08 | C07 | doub | 1.36Å | 1.40Å | Aromatic |
| C08 | C09 | sing | 1.39Å | 1.42Å | Aromatic |
| N40 | C39 | sing | 1.35Å | 1.41Å | |
| C07 | C04 | sing | 1.40Å | 1.45Å | Aromatic |
| C09 | C10 | doub | 1.36Å | 1.42Å | Aromatic |
| O41 | C39 | doub | 1.21Å | 1.18Å | |
| C39 | C38 | sing | 1.51Å | 1.49Å | |
| N12 | C03 | sing | 1.40Å | 1.43Å | |
| N12 | S14 | sing | 1.66Å | 1.75Å | |
| C04 | C03 | doub | 1.41Å | 1.44Å | Aromatic |
| C04 | C05 | sing | 1.42Å | 1.40Å | Aromatic |
| C10 | C05 | sing | 1.40Å | 1.43Å | Aromatic |
| C03 | C02 | sing | 1.38Å | 1.40Å | Aromatic |
| C05 | C06 | doub | 1.41Å | 1.44Å | Aromatic |
| C02 | C01 | doub | 1.39Å | 1.40Å | Aromatic |
| O15 | S14 | doub | 1.42Å | 1.49Å | |
| C38 | N11 | sing | 1.46Å | 1.51Å | |
| C06 | C01 | sing | 1.38Å | 1.41Å | Aromatic |
| C06 | N11 | sing | 1.40Å | 1.49Å | |
| S14 | O16 | doub | 1.42Å | 1.44Å | |
| S14 | C17 | sing | 1.76Å | 1.84Å | |
| N11 | S13 | sing | 1.66Å | 1.73Å | |
| C22 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.42Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.37Å | Aromatic |
| S13 | O25 | doub | 1.42Å | 1.45Å | |
| S13 | O26 | doub | 1.42Å | 1.47Å | |
| S13 | C27 | sing | 1.76Å | 1.85Å | |
| C21 | C20 | doub | 1.39Å | 1.36Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C20 | C19 | sing | 1.39Å | 1.41Å | Aromatic |
| C20 | O23 | sing | 1.36Å | 1.40Å | |
| C27 | C28 | doub | 1.38Å | 1.38Å | Aromatic |
| C27 | C32 | sing | 1.38Å | 1.40Å | Aromatic |
| C50 | C49 | sing | 1.53Å | 1.53Å | |
| C28 | C29 | sing | 1.38Å | 1.43Å | Aromatic |
| C32 | C31 | doub | 1.38Å | 1.42Å | Aromatic |
| O23 | C24 | sing | 1.43Å | 1.45Å | |
| C29 | C30 | doub | 1.39Å | 1.40Å | Aromatic |
| C49 | O46 | sing | 1.43Å | 1.39Å | |
| C31 | C30 | sing | 1.39Å | 1.38Å | Aromatic |
| C30 | N33 | sing | 1.40Å | 1.46Å | |
| O44 | C42 | doub | 1.21Å | 1.21Å | |
| O46 | P45 | sing | 1.61Å | 1.67Å | |
| C52 | C51 | sing | 1.53Å | 1.54Å | |
| C42 | N33 | sing | 1.35Å | 1.48Å | |
| C42 | C43 | sing | 1.51Å | 1.56Å | |
| P45 | O48 | sing | 1.61Å | 1.67Å | |
| P45 | C43 | sing | 1.82Å | 1.88Å | |
| P45 | O47 | doub | 1.48Å | 1.43Å | |
| O48 | C51 | sing | 1.43Å | 1.44Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C24 | H243 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.08Å | 1.08Å | |
| C01 | H011 | sing | 1.08Å | 1.08Å | |
| C02 | H021 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C29 | H291 | sing | 1.08Å | 1.08Å | |
| C31 | H311 | sing | 1.08Å | 1.08Å | |
| C32 | H321 | sing | 1.08Å | 1.08Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C43 | H432 | sing | 1.09Å | 1.10Å | |
| C43 | H431 | sing | 1.09Å | 1.10Å | |
| C49 | H492 | sing | 1.09Å | 1.10Å | |
| C49 | H491 | sing | 1.09Å | 1.10Å | |
| C50 | H501 | sing | 1.09Å | 1.10Å | |
| C50 | H503 | sing | 1.09Å | 1.10Å | |
| C50 | H502 | sing | 1.09Å | 1.10Å | |
| C51 | H511 | sing | 1.09Å | 1.10Å | |
| C51 | H512 | sing | 1.09Å | 1.10Å | |
| C52 | H523 | sing | 1.09Å | 1.10Å | |
| C52 | H521 | sing | 1.09Å | 1.10Å | |
| C52 | H522 | sing | 1.09Å | 1.10Å | |
| N33 | H331 | sing | 0.97Å | 1.00Å | |
| N36 | H361 | sing | 0.97Å | 1.00Å | |
| N36 | H362 | sing | 0.97Å | 1.00Å | |
| N40 | H401 | sing | 0.97Å | 1.00Å | |
| N40 | H402 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N36 | C35 | O37 | 121.0° | 119.9° |
| N36 | C35 | C34 | 119.0° | 120.0° |
| C35 | N36 | H361 | 120.0° | 120.1° |
| C35 | N36 | H362 | 120.0° | 119.9° |
| O37 | C35 | C34 | 120.0° | 120.0° |
| C35 | C34 | N12 | 115.1° | 109.5° |
| C35 | C34 | H342 | 108.0° | 109.4° |
| C35 | C34 | H341 | 108.0° | 109.4° |
| C34 | N12 | C03 | 119.0° | 120.0° |
| C34 | N12 | S14 | 124.0° | 120.0° |
| N12 | C34 | H342 | 108.0° | 109.5° |
| N12 | C34 | H341 | 108.0° | 109.5° |
| C07 | C08 | C09 | 119.8° | 120.9° |
| C08 | C07 | C04 | 120.7° | 119.6° |
| C08 | C07 | H071 | 119.7° | 120.1° |
| C07 | C08 | H081 | 120.1° | 119.5° |
| C08 | C09 | C10 | 119.9° | 121.0° |
| C09 | C08 | H081 | 120.1° | 119.5° |
| C08 | C09 | H091 | 120.0° | 119.5° |
| N40 | C39 | O41 | 120.9° | 120.0° |
| N40 | C39 | C38 | 117.4° | 120.0° |
| C39 | N40 | H401 | 120.0° | 120.0° |
| C39 | N40 | H402 | 120.0° | 120.0° |
| C07 | C04 | C03 | 121.3° | 121.2° |
| C07 | C04 | C05 | 119.3° | 119.4° |
| C04 | C07 | H071 | 119.7° | 120.2° |
| C09 | C10 | C05 | 120.6° | 119.6° |
| C09 | C10 | H101 | 119.7° | 120.2° |
| C10 | C09 | H091 | 120.0° | 119.5° |
| O41 | C39 | C38 | 121.7° | 120.0° |
| C39 | C38 | N11 | 112.5° | 109.5° |
| C39 | C38 | H382 | 108.7° | 109.5° |
| C39 | C38 | H381 | 108.7° | 109.5° |
| C03 | N12 | S14 | 117.0° | 120.1° |
| N12 | C03 | C04 | 123.1° | 120.1° |
| N12 | C03 | C02 | 115.9° | 120.2° |
| N12 | S14 | O15 | 113.9° | 106.4° |
| N12 | S14 | O16 | 110.8° | 106.3° |
| N12 | S14 | C17 | 111.8° | 107.2° |
| C03 | C04 | C05 | 119.4° | 119.4° |
| C04 | C03 | C02 | 121.0° | 119.7° |
| C04 | C05 | C10 | 119.6° | 119.4° |
| C04 | C05 | C06 | 119.3° | 119.5° |
| C10 | C05 | C06 | 121.1° | 121.2° |
| C05 | C10 | H101 | 119.7° | 120.2° |
| C03 | C02 | C01 | 119.5° | 120.9° |
| C03 | C02 | H021 | 120.2° | 119.6° |
| C05 | C06 | C01 | 119.8° | 119.7° |
| C05 | C06 | N11 | 125.6° | 120.2° |
| C02 | C01 | C06 | 121.0° | 120.8° |
| C02 | C01 | H011 | 119.5° | 119.6° |
| C01 | C02 | H021 | 120.3° | 119.6° |
| O15 | S14 | O16 | 99.7° | 123.2° |
| O15 | S14 | C17 | 110.6° | 106.4° |
| C38 | N11 | C06 | 127.9° | 120.0° |
| C38 | N11 | S13 | 117.7° | 120.0° |
| N11 | C38 | H382 | 108.7° | 109.5° |
| N11 | C38 | H381 | 108.7° | 109.5° |
| C01 | C06 | N11 | 114.4° | 120.2° |
| C06 | C01 | H011 | 119.5° | 119.5° |
| C06 | N11 | S13 | 113.9° | 120.0° |
| O16 | S14 | C17 | 109.3° | 106.4° |
| S14 | C17 | C22 | 120.8° | 120.0° |
| S14 | C17 | C18 | 119.6° | 119.9° |
| N11 | S13 | O25 | 113.0° | 106.4° |
| N11 | S13 | O26 | 114.2° | 106.4° |
| N11 | S13 | C27 | 102.0° | 107.2° |
| C17 | C22 | C21 | 120.5° | 120.1° |
| C22 | C17 | C18 | 119.7° | 120.1° |
| C17 | C22 | H221 | 119.7° | 120.0° |
| C22 | C21 | C20 | 119.9° | 119.9° |
| C22 | C21 | H211 | 120.0° | 120.1° |
| C21 | C22 | H221 | 119.7° | 119.9° |
| C17 | C18 | C19 | 120.0° | 120.1° |
| C17 | C18 | H181 | 120.0° | 120.0° |
| O25 | S13 | O26 | 103.3° | 123.2° |
| O25 | S13 | C27 | 113.8° | 106.4° |
| O26 | S13 | C27 | 110.9° | 106.4° |
| S13 | C27 | C28 | 120.5° | 120.0° |
| S13 | C27 | C32 | 119.5° | 119.9° |
| C21 | C20 | C19 | 119.5° | 119.9° |
| C21 | C20 | O23 | 121.6° | 120.0° |
| C20 | C21 | H211 | 120.0° | 120.0° |
| C18 | C19 | C20 | 120.4° | 119.9° |
| C19 | C18 | H181 | 120.0° | 120.0° |
| C18 | C19 | H191 | 119.8° | 120.0° |
| C19 | C20 | O23 | 118.9° | 120.1° |
| C20 | C19 | H191 | 119.8° | 120.0° |
| C20 | O23 | C24 | 115.8° | 117.0° |
| C28 | C27 | C32 | 120.0° | 120.1° |
| C27 | C28 | C29 | 120.3° | 120.1° |
| C27 | C28 | H281 | 119.9° | 120.0° |
| C27 | C32 | C31 | 119.6° | 120.1° |
| C27 | C32 | H321 | 120.2° | 120.0° |
| C50 | C49 | O46 | 116.4° | 109.4° |
| C50 | C49 | H492 | 107.7° | 109.5° |
| C50 | C49 | H491 | 107.7° | 109.5° |
| C49 | C50 | H501 | 109.5° | 109.5° |
| C49 | C50 | H503 | 109.5° | 109.4° |
| C49 | C50 | H502 | 109.4° | 109.5° |
| C28 | C29 | C30 | 120.0° | 119.9° |
| C29 | C28 | H281 | 119.8° | 119.9° |
| C28 | C29 | H291 | 120.0° | 120.1° |
| C32 | C31 | C30 | 120.9° | 119.9° |
| C32 | C31 | H311 | 119.5° | 120.0° |
| C31 | C32 | H321 | 120.2° | 119.9° |
| O23 | C24 | H242 | 109.5° | 109.5° |
| O23 | C24 | H243 | 109.5° | 109.4° |
| O23 | C24 | H241 | 109.5° | 109.4° |
| C29 | C30 | C31 | 119.2° | 119.9° |
| C29 | C30 | N33 | 122.5° | 120.1° |
| C30 | C29 | H291 | 120.0° | 120.0° |
| C49 | O46 | P45 | 113.3° | 123.0° |
| O46 | C49 | H492 | 107.7° | 109.5° |
| O46 | C49 | H491 | 107.7° | 109.5° |
| C31 | C30 | N33 | 118.2° | 120.0° |
| C30 | C31 | H311 | 119.6° | 120.1° |
| C30 | N33 | C42 | 120.9° | 119.9° |
| C30 | N33 | H331 | 119.5° | 120.1° |
| O44 | C42 | N33 | 119.7° | 120.0° |
| O44 | C42 | C43 | 121.4° | 120.1° |
| O46 | P45 | O48 | 110.3° | 109.5° |
| O46 | P45 | C43 | 109.9° | 109.5° |
| O46 | P45 | O47 | 108.2° | 109.4° |
| C52 | C51 | O48 | 108.3° | 109.4° |
| C52 | C51 | H511 | 109.8° | 109.4° |
| C52 | C51 | H512 | 109.8° | 109.4° |
| C51 | C52 | H523 | 109.5° | 109.4° |
| C51 | C52 | H521 | 109.5° | 109.5° |
| C51 | C52 | H522 | 109.5° | 109.4° |
| N33 | C42 | C43 | 118.8° | 120.0° |
| C42 | N33 | H331 | 119.6° | 120.0° |
| C42 | C43 | P45 | 115.0° | 109.5° |
| C42 | C43 | H432 | 108.0° | 109.5° |
| C42 | C43 | H431 | 108.0° | 109.5° |
| O48 | P45 | C43 | 115.2° | 109.5° |
| O48 | P45 | O47 | 108.2° | 109.5° |
| P45 | O48 | C51 | 128.9° | 123.0° |
| C43 | P45 | O47 | 104.6° | 109.5° |
| P45 | C43 | H432 | 108.1° | 109.5° |
| P45 | C43 | H431 | 108.1° | 109.4° |
| O48 | C51 | H511 | 109.8° | 109.5° |
| O48 | C51 | H512 | 109.8° | 109.5° |
| H242 | C24 | H243 | 109.5° | 109.5° |
| H242 | C24 | H241 | 109.5° | 109.5° |
| H243 | C24 | H241 | 109.5° | 109.5° |
| H342 | C34 | H341 | 109.5° | 109.5° |
| H382 | C38 | H381 | 109.5° | 109.4° |
| H432 | C43 | H431 | 109.5° | 109.5° |
| H492 | C49 | H491 | 109.5° | 109.5° |
| H501 | C50 | H503 | 109.5° | 109.5° |
| H501 | C50 | H502 | 109.5° | 109.5° |
| H503 | C50 | H502 | 109.5° | 109.5° |
| H511 | C51 | H512 | 109.5° | 109.5° |
| H523 | C52 | H521 | 109.4° | 109.5° |
| H523 | C52 | H522 | 109.5° | 109.5° |
| H521 | C52 | H522 | 109.5° | 109.4° |
| H361 | N36 | H362 | 120.0° | 120.0° |
| H401 | N40 | H402 | 120.0° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N36 | C35 | O37 | C34 | 179.4° | 180.0° |
| N36 | C35 | C34 | N12 | 178.3° | 175.2° |
| N36 | C35 | C34 | H342 | 57.4° | 55.2° |
| N36 | C35 | C34 | H341 | 60.9° | 64.7° |
| C35 | N36 | H361 | H362 | 180.0° | 180.0° |
| O37 | C35 | C34 | N12 | 1.1° | 4.8° |
| O37 | C35 | C34 | H342 | 121.9° | 124.8° |
| O37 | C35 | C34 | H341 | 119.7° | 115.3° |
| O37 | C35 | N36 | H361 | 0.0° | 0.0° |
| O37 | C35 | N36 | H362 | 180.0° | 180.0° |
| C35 | C34 | N12 | H342 | 120.8° | 120.0° |
| C35 | C34 | N12 | H341 | 120.8° | 120.0° |
| C35 | C34 | N12 | C03 | 57.5° | 86.1° |
| C35 | C34 | N12 | S14 | 125.6° | 93.9° |
| C35 | C34 | H342 | H341 | 117.4° | 120.0° |
| C34 | C35 | N36 | H361 | 179.4° | 180.0° |
| C34 | C35 | N36 | H362 | 0.6° | 0.0° |
| C34 | N12 | C03 | S14 | 177.1° | 180.0° |
| C34 | N12 | C03 | C04 | 68.2° | 93.3° |
| C34 | N12 | C03 | C02 | 113.9° | 86.9° |
| C34 | N12 | S14 | O15 | 0.1° | 23.6° |
| C34 | N12 | S14 | O16 | 111.3° | 156.5° |
| C34 | N12 | S14 | C17 | 126.4° | 90.0° |
| N12 | C34 | H342 | H341 | 117.4° | 120.1° |
| C07 | C08 | C09 | H081 | 180.0° | 179.1° |
| C08 | C07 | C04 | H071 | 180.0° | 179.4° |
| C07 | C08 | C09 | C10 | 0.1° | 0.6° |
| C08 | C07 | C04 | C03 | 179.8° | 179.5° |
| C08 | C07 | C04 | C05 | 0.2° | 0.6° |
| C07 | C08 | C09 | H091 | 179.9° | 179.4° |
| C09 | C08 | C07 | C04 | 0.3° | 0.8° |
| C08 | C09 | C10 | H091 | 180.0° | 180.0° |
| C08 | C09 | C10 | C05 | 0.1° | 0.0° |
| C08 | C09 | C10 | H101 | 179.9° | 179.7° |
| C09 | C08 | C07 | H071 | 179.7° | 179.7° |
| N40 | C39 | O41 | C38 | 179.2° | 180.0° |
| N40 | C39 | C38 | N11 | 178.7° | 180.0° |
| N40 | C39 | C38 | H382 | 60.8° | 60.0° |
| N40 | C39 | C38 | H381 | 58.2° | 60.0° |
| C39 | N40 | H401 | H402 | 180.0° | 179.9° |
| C07 | C04 | C03 | N12 | 1.8° | 0.1° |
| C07 | C04 | C03 | C05 | 180.0° | 180.0° |
| C07 | C04 | C05 | C10 | 0.0° | 0.0° |
| C07 | C04 | C03 | C02 | 179.6° | 180.0° |
| C07 | C04 | C05 | C06 | 178.9° | 180.0° |
| C04 | C07 | C08 | H081 | 179.7° | 180.0° |
| C09 | C10 | C05 | C04 | 0.2° | 0.2° |
| C09 | C10 | C05 | H101 | 180.0° | 179.7° |
| C09 | C10 | C05 | C06 | 178.7° | 179.7° |
| C10 | C09 | C08 | H081 | 179.9° | 179.7° |
| O41 | C39 | C38 | N11 | 0.6° | 0.0° |
| O41 | C39 | C38 | H382 | 119.9° | 120.0° |
| O41 | C39 | C38 | H381 | 121.0° | 120.0° |
| O41 | C39 | N40 | H401 | 0.0° | 180.0° |
| O41 | C39 | N40 | H402 | 180.0° | 0.1° |
| C39 | C38 | N11 | H382 | 120.4° | 120.0° |
| C39 | C38 | N11 | H381 | 120.5° | 120.0° |
| C39 | C38 | N11 | C06 | 91.7° | 85.0° |
| C39 | C38 | N11 | S13 | 96.9° | 95.0° |
| C39 | C38 | H382 | H381 | 118.6° | 120.0° |
| C38 | C39 | N40 | H401 | 179.3° | 0.0° |
| C38 | C39 | N40 | H402 | 0.7° | 180.0° |
| N12 | C03 | C04 | C02 | 177.8° | 179.9° |
| N12 | C03 | C04 | C05 | 178.2° | 179.9° |
| N12 | C03 | C02 | C01 | 178.2° | 180.0° |
| C03 | N12 | S14 | O15 | 177.1° | 156.4° |
| C03 | N12 | S14 | O16 | 65.6° | 23.5° |
| C03 | N12 | S14 | C17 | 56.6° | 90.0° |
| N12 | C03 | C02 | H021 | 1.8° | 0.1° |
| C03 | N12 | C34 | H342 | 63.4° | 154.0° |
| C03 | N12 | C34 | H341 | 178.3° | 33.9° |
| S14 | N12 | C03 | C04 | 109.0° | 86.7° |
| S14 | N12 | C03 | C02 | 69.0° | 93.2° |
| N12 | S14 | O15 | O16 | 118.0° | 122.9° |
| N12 | S14 | O15 | C17 | 126.9° | 114.1° |
| N12 | S14 | O16 | C17 | 123.7° | 114.1° |
| N12 | S14 | C17 | C22 | 90.8° | 89.7° |
| N12 | S14 | C17 | C18 | 88.9° | 90.0° |
| S14 | N12 | C34 | H342 | 113.6° | 26.0° |
| S14 | N12 | C34 | H341 | 4.8° | 146.1° |
| C03 | C04 | C05 | C10 | 180.0° | 180.0° |
| C03 | C04 | C05 | C06 | 1.1° | 0.0° |
| C04 | C03 | C02 | C01 | 0.2° | 0.1° |
| C04 | C03 | C02 | H021 | 179.8° | 180.0° |
| C03 | C04 | C07 | H071 | 0.2° | 0.0° |
| C04 | C05 | C10 | C06 | 178.9° | 180.0° |
| C05 | C04 | C03 | C02 | 0.4° | 0.1° |
| C04 | C05 | C06 | C01 | 2.8° | 0.0° |
| C04 | C05 | C06 | N11 | 177.2° | 180.0° |
| C04 | C05 | C10 | H101 | 179.9° | 180.0° |
| C05 | C04 | C07 | H071 | 179.8° | 180.0° |
| C10 | C05 | C06 | C01 | 178.3° | 180.0° |
| C10 | C05 | C06 | N11 | 3.9° | 0.0° |
| C05 | C10 | C09 | H091 | 179.9° | 180.0° |
| C03 | C02 | C01 | H021 | 180.0° | 179.9° |
| C03 | C02 | C01 | C06 | 1.5° | 0.1° |
| C03 | C02 | C01 | H011 | 178.5° | 180.0° |
| C05 | C06 | C01 | C02 | 3.0° | 0.0° |
| C05 | C06 | N11 | C38 | 113.4° | 95.0° |
| C05 | C06 | C01 | N11 | 175.1° | 180.0° |
| C05 | C06 | N11 | S13 | 74.9° | 85.0° |
| C06 | C05 | C10 | H101 | 1.3° | 0.0° |
| C05 | C06 | C01 | H011 | 177.0° | 180.0° |
| C02 | C01 | C06 | H011 | 180.0° | 180.0° |
| C02 | C01 | C06 | N11 | 178.1° | 179.9° |
| O15 | S14 | O16 | C17 | 116.0° | 123.0° |
| O15 | S14 | C17 | C22 | 37.2° | 156.8° |
| O15 | S14 | C17 | C18 | 143.1° | 23.6° |
| C38 | N11 | C06 | C01 | 71.9° | 85.0° |
| C38 | N11 | C06 | S13 | 171.7° | 180.0° |
| C38 | N11 | S13 | O25 | 44.3° | 156.4° |
| C38 | N11 | S13 | O26 | 162.0° | 23.5° |
| C38 | N11 | S13 | C27 | 78.3° | 90.0° |
| N11 | C38 | H382 | H381 | 118.6° | 120.0° |
| C01 | C06 | N11 | S13 | 99.9° | 95.0° |
| C06 | C01 | C02 | H021 | 178.5° | 180.0° |
| C06 | N11 | S13 | O25 | 143.1° | 23.5° |
| C06 | N11 | S13 | O26 | 25.4° | 156.5° |
| C06 | N11 | S13 | C27 | 94.3° | 90.0° |
| N11 | C06 | C01 | H011 | 2.0° | 0.0° |
| C06 | N11 | C38 | H382 | 28.8° | 155.0° |
| C06 | N11 | C38 | H381 | 147.8° | 35.0° |
| O16 | S14 | C17 | C22 | 146.1° | 23.8° |
| O16 | S14 | C17 | C18 | 34.2° | 156.5° |
| S14 | C17 | C22 | C18 | 179.7° | 179.7° |
| S14 | C17 | C22 | C21 | 179.6° | 179.7° |
| S14 | C17 | C18 | C19 | 179.5° | 179.7° |
| S14 | C17 | C22 | H221 | 0.5° | 0.3° |
| S14 | C17 | C18 | H181 | 0.5° | 0.3° |
| N11 | S13 | O25 | O26 | 123.9° | 123.0° |
| N11 | S13 | O25 | C27 | 115.7° | 114.1° |
| N11 | S13 | O26 | C27 | 114.5° | 114.1° |
| N11 | S13 | C27 | C28 | 80.8° | 90.0° |
| N11 | S13 | C27 | C32 | 97.8° | 90.0° |
| S13 | N11 | C38 | H382 | 142.7° | 25.0° |
| S13 | N11 | C38 | H381 | 23.6° | 145.0° |
| C17 | C22 | C21 | H221 | 180.0° | 180.0° |
| C17 | C22 | C21 | C20 | 0.2° | 0.0° |
| C22 | C17 | C18 | C19 | 0.2° | 0.0° |
| C17 | C22 | C21 | H211 | 179.8° | 180.0° |
| C22 | C17 | C18 | H181 | 179.8° | 180.0° |
| C21 | C22 | C17 | C18 | 0.1° | 0.0° |
| C22 | C21 | C20 | H211 | 180.0° | 180.0° |
| C22 | C21 | C20 | C19 | 0.3° | 0.0° |
| C22 | C21 | C20 | O23 | 179.8° | 180.0° |
| C17 | C18 | C19 | H181 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.4° | 0.0° |
| C18 | C17 | C22 | H221 | 179.8° | 180.0° |
| C17 | C18 | C19 | H191 | 179.6° | 179.9° |
| O25 | S13 | O26 | C27 | 122.3° | 122.9° |
| O25 | S13 | C27 | C28 | 157.1° | 156.5° |
| O25 | S13 | C27 | C32 | 24.3° | 23.6° |
| O26 | S13 | C27 | C28 | 41.2° | 23.6° |
| O26 | S13 | C27 | C32 | 140.2° | 156.4° |
| S13 | C27 | C28 | C32 | 178.6° | 180.0° |
| S13 | C27 | C28 | C29 | 180.0° | 180.0° |
| S13 | C27 | C32 | C31 | 179.9° | 179.4° |
| S13 | C27 | C28 | H281 | 0.0° | 0.2° |
| S13 | C27 | C32 | H321 | 0.1° | 0.0° |
| C21 | C20 | C19 | C18 | 0.4° | 0.0° |
| C21 | C20 | C19 | O23 | 179.5° | 180.0° |
| C21 | C20 | O23 | C24 | 35.3° | 0.0° |
| C20 | C21 | C22 | H221 | 179.8° | 180.0° |
| C21 | C20 | C19 | H191 | 179.6° | 179.9° |
| C18 | C19 | C20 | H191 | 180.0° | 179.9° |
| C18 | C19 | C20 | O23 | 179.9° | 180.0° |
| C19 | C20 | O23 | C24 | 145.1° | 180.0° |
| C19 | C20 | C21 | H211 | 179.7° | 180.0° |
| C20 | C19 | C18 | H181 | 179.6° | 180.0° |
| O23 | C20 | C21 | H211 | 0.2° | 0.0° |
| C20 | O23 | C24 | H242 | 180.0° | 60.0° |
| C20 | O23 | C24 | H243 | 60.0° | 60.0° |
| C20 | O23 | C24 | H241 | 60.0° | 180.0° |
| O23 | C20 | C19 | H191 | 0.1° | 0.1° |
| C27 | C28 | C29 | H281 | 180.0° | 179.7° |
| C28 | C27 | C32 | C31 | 1.5° | 0.6° |
| C27 | C28 | C29 | C30 | 1.7° | 0.3° |
| C27 | C28 | C29 | H291 | 178.3° | 179.8° |
| C28 | C27 | C32 | H321 | 178.5° | 180.0° |
| C32 | C27 | C28 | C29 | 1.4° | 0.0° |
| C27 | C32 | C31 | H321 | 180.0° | 179.5° |
| C27 | C32 | C31 | C30 | 1.9° | 0.8° |
| C32 | C27 | C28 | H281 | 178.6° | 179.7° |
| C27 | C32 | C31 | H311 | 178.1° | 179.8° |
| C50 | C49 | O46 | H492 | 121.0° | 120.0° |
| C50 | C49 | O46 | H491 | 121.0° | 120.0° |
| C50 | C49 | O46 | P45 | 162.4° | 180.0° |
| C50 | C49 | H492 | H491 | 116.8° | 120.0° |
| C49 | C50 | H501 | H503 | 120.0° | 119.9° |
| C49 | C50 | H501 | H502 | 120.0° | 120.0° |
| C49 | C50 | H503 | H502 | 120.0° | 120.0° |
| C28 | C29 | C30 | H291 | 180.0° | 179.9° |
| C28 | C29 | C30 | C31 | 2.1° | 0.1° |
| C28 | C29 | C30 | N33 | 179.0° | 180.0° |
| C32 | C31 | C30 | C29 | 2.2° | 0.5° |
| C32 | C31 | C30 | H311 | 180.0° | 179.4° |
| C32 | C31 | C30 | N33 | 179.3° | 179.4° |
| O23 | C24 | H242 | H243 | 120.0° | 120.0° |
| O23 | C24 | H242 | H241 | 120.0° | 120.0° |
| O23 | C24 | H243 | H241 | 120.0° | 119.9° |
| C29 | C30 | C31 | N33 | 177.1° | 179.9° |
| C29 | C30 | N33 | C42 | 142.6° | 34.5° |
| C30 | C29 | C28 | H281 | 178.3° | 180.0° |
| C29 | C30 | C31 | H311 | 177.8° | 179.9° |
| C29 | C30 | N33 | H331 | 37.4° | 145.6° |
| C49 | O46 | P45 | O48 | 4.3° | 65.0° |
| C49 | O46 | P45 | C43 | 132.4° | 175.0° |
| C49 | O46 | P45 | O47 | 113.9° | 55.0° |
| O46 | C49 | H492 | H491 | 116.8° | 120.1° |
| O46 | C49 | C50 | H501 | 180.0° | 60.0° |
| O46 | C49 | C50 | H503 | 60.0° | 180.0° |
| O46 | C49 | C50 | H502 | 60.0° | 60.0° |
| C31 | C30 | N33 | C42 | 40.4° | 145.6° |
| C31 | C30 | C29 | H291 | 177.9° | 180.0° |
| C30 | C31 | C32 | H321 | 178.1° | 179.7° |
| C31 | C30 | N33 | H331 | 139.6° | 34.3° |
| C30 | N33 | C42 | O44 | 0.6° | 5.1° |
| C30 | N33 | C42 | H331 | 180.0° | 179.9° |
| C30 | N33 | C42 | C43 | 177.5° | 175.0° |
| N33 | C30 | C29 | H291 | 1.0° | 0.1° |
| N33 | C30 | C31 | H311 | 0.7° | 0.0° |
| O44 | C42 | N33 | C43 | 178.1° | 180.0° |
| O44 | C42 | C43 | P45 | 102.0° | 80.0° |
| O44 | C42 | C43 | H432 | 18.8° | 160.0° |
| O44 | C42 | C43 | H431 | 137.2° | 40.0° |
| O44 | C42 | N33 | H331 | 179.4° | 174.9° |
| O46 | P45 | C43 | C42 | 1.4° | 175.0° |
| O46 | P45 | O48 | C43 | 125.1° | 120.0° |
| O46 | P45 | O48 | O47 | 118.2° | 120.0° |
| O46 | P45 | C43 | O47 | 115.9° | 120.0° |
| O46 | P45 | O48 | C51 | 121.7° | 65.0° |
| O46 | P45 | C43 | H432 | 119.4° | 65.0° |
| O46 | P45 | C43 | H431 | 122.2° | 55.0° |
| P45 | O46 | C49 | H492 | 41.4° | 60.0° |
| P45 | O46 | C49 | H491 | 76.5° | 60.0° |
| C52 | C51 | O48 | P45 | 98.1° | 180.0° |
| C52 | C51 | O48 | H511 | 119.8° | 119.9° |
| C52 | C51 | O48 | H512 | 119.8° | 120.0° |
| C52 | C51 | H511 | H512 | 120.5° | 119.9° |
| C51 | C52 | H523 | H521 | 120.0° | 120.1° |
| C51 | C52 | H523 | H522 | 120.0° | 119.9° |
| C51 | C52 | H521 | H522 | 120.0° | 120.0° |
| N33 | C42 | C43 | P45 | 80.0° | 100.0° |
| N33 | C42 | C43 | H432 | 159.2° | 20.0° |
| N33 | C42 | C43 | H431 | 40.8° | 140.0° |
| C42 | C43 | P45 | O48 | 126.8° | 65.0° |
| C42 | C43 | P45 | H432 | 120.8° | 120.0° |
| C42 | C43 | P45 | H431 | 120.8° | 120.0° |
| C42 | C43 | P45 | O47 | 114.5° | 55.0° |
| C42 | C43 | H432 | H431 | 117.5° | 120.0° |
| C43 | C42 | N33 | H331 | 2.5° | 5.1° |
| O48 | P45 | C43 | O47 | 118.7° | 120.0° |
| O48 | P45 | C43 | H432 | 6.0° | 55.0° |
| O48 | P45 | C43 | H431 | 112.4° | 175.0° |
| P45 | O48 | C51 | H511 | 142.1° | 60.0° |
| P45 | O48 | C51 | H512 | 21.7° | 60.0° |
| C43 | P45 | O48 | C51 | 3.4° | 175.0° |
| P45 | C43 | H432 | H431 | 117.5° | 120.0° |
| O47 | P45 | O48 | C51 | 120.1° | 55.0° |
| O47 | P45 | C43 | H432 | 124.7° | 175.0° |
| O47 | P45 | C43 | H431 | 6.3° | 65.0° |
| O48 | C51 | H511 | H512 | 120.5° | 120.1° |
| O48 | C51 | C52 | H523 | 180.0° | 180.0° |
| O48 | C51 | C52 | H521 | 60.0° | 60.0° |
| O48 | C51 | C52 | H522 | 60.0° | 60.0° |
| H101 | C10 | C09 | H091 | 0.1° | 0.3° |
| H211 | C21 | C22 | H221 | 0.2° | 0.0° |
| H242 | C24 | H243 | H241 | 120.0° | 120.0° |
| H281 | C28 | C29 | H291 | 1.7° | 0.0° |
| H011 | C01 | C02 | H021 | 1.5° | 0.0° |
| H071 | C07 | C08 | H081 | 0.3° | 0.6° |
| H081 | C08 | C09 | H091 | 0.1° | 0.3° |
| H181 | C18 | C19 | H191 | 0.4° | 0.1° |
| H311 | C31 | C32 | H321 | 1.9° | 0.3° |
| H492 | C49 | C50 | H501 | 59.0° | 180.0° |
| H492 | C49 | C50 | H503 | 61.0° | 60.0° |
| H492 | C49 | C50 | H502 | 179.0° | 60.0° |
| H491 | C49 | C50 | H501 | 59.0° | 60.0° |
| H491 | C49 | C50 | H503 | 179.0° | 59.9° |
| H491 | C49 | C50 | H502 | 61.0° | 180.0° |
| H501 | C50 | H503 | H502 | 120.0° | 120.0° |
| H511 | C51 | C52 | H523 | 60.2° | 60.0° |
| H511 | C51 | C52 | H521 | 59.8° | 60.1° |
| H511 | C51 | C52 | H522 | 179.8° | 180.0° |
| H512 | C51 | C52 | H523 | 60.2° | 59.9° |
| H512 | C51 | C52 | H521 | 179.8° | 180.0° |
| H512 | C51 | C52 | H522 | 59.8° | 60.0° |
| H523 | C52 | H521 | H522 | 120.0° | 120.0° |
