ECI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C39 | O40 | sing | 1.43Å | 1.44Å | |
| C39 | C38 | sing | 1.53Å | 1.46Å | |
| O41 | C38 | sing | 1.44Å | 1.56Å | |
| O41 | C07 | sing | 1.44Å | 1.30Å | |
| N45 | C44 | sing | 1.37Å | 1.40Å | |
| C38 | C10 | sing | 1.54Å | 1.29Å | |
| C44 | N43 | doub | 1.31Å | 1.37Å | |
| C44 | N46 | sing | 1.36Å | 1.40Å | |
| N43 | C42 | sing | 1.34Å | 1.41Å | |
| N46 | C02 | sing | 1.35Å | 1.38Å | |
| C42 | N06 | sing | 1.37Å | 1.30Å | Aromatic |
| C42 | C03 | doub | 1.40Å | 1.37Å | Aromatic |
| C07 | N06 | sing | 1.46Å | 1.41Å | |
| C07 | C08 | sing | 1.55Å | 1.47Å | |
| C02 | C03 | sing | 1.41Å | 1.45Å | |
| C02 | O01 | doub | 1.22Å | 1.20Å | |
| N06 | C05 | sing | 1.36Å | 1.37Å | Aromatic |
| C03 | N04 | sing | 1.35Å | 1.33Å | Aromatic |
| O34 | P32 | doub | 1.48Å | 1.52Å | |
| C10 | O11 | sing | 1.43Å | 1.43Å | |
| C10 | C08 | sing | 1.54Å | 1.50Å | |
| N04 | C05 | doub | 1.30Å | 1.30Å | Aromatic |
| O35 | P32 | sing | 1.61Å | 1.48Å | |
| O11 | P12 | sing | 1.61Å | 1.60Å | |
| C08 | O09 | sing | 1.43Å | 1.33Å | |
| O29 | C28 | sing | 1.43Å | 1.40Å | |
| P32 | O31 | sing | 1.61Å | 1.61Å | |
| P32 | S33 | sing | 2.12Å | 2.03Å | |
| O31 | C30 | sing | 1.43Å | 1.36Å | |
| O13 | P12 | sing | 1.61Å | 1.61Å | |
| O13 | C14 | sing | 1.43Å | 1.40Å | |
| O37 | P12 | doub | 1.48Å | 1.52Å | |
| P12 | S36 | sing | 2.12Å | 2.03Å | |
| C30 | C28 | sing | 1.55Å | 1.46Å | |
| C30 | C15 | sing | 1.54Å | 1.50Å | |
| C28 | C17 | sing | 1.55Å | 1.29Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| C15 | O16 | sing | 1.44Å | 1.32Å | |
| C17 | O16 | sing | 1.44Å | 1.50Å | |
| C17 | N18 | sing | 1.46Å | 1.44Å | |
| C19 | N18 | sing | 1.36Å | 1.35Å | Aromatic |
| C19 | N20 | doub | 1.30Å | 1.33Å | Aromatic |
| N18 | C21 | sing | 1.37Å | 1.36Å | Aromatic |
| N20 | C22 | sing | 1.35Å | 1.38Å | Aromatic |
| C21 | C22 | doub | 1.40Å | 1.40Å | Aromatic |
| C21 | N27 | sing | 1.33Å | 1.36Å | Aromatic |
| C22 | C23 | sing | 1.41Å | 1.40Å | Aromatic |
| N27 | C26 | doub | 1.32Å | 1.34Å | Aromatic |
| C26 | N25 | sing | 1.32Å | 1.31Å | Aromatic |
| C23 | N25 | doub | 1.33Å | 1.31Å | Aromatic |
| C23 | N24 | sing | 1.38Å | 1.42Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| N24 | H242 | sing | 0.97Å | 1.00Å | |
| N24 | H241 | sing | 0.97Å | 1.00Å | |
| N45 | H451 | sing | 0.97Å | 1.00Å | |
| N45 | H452 | sing | 0.97Å | 1.00Å | |
| N46 | H461 | sing | 0.97Å | 1.00Å | |
| O09 | H091 | sing | 0.97Å | 0.95Å | |
| O29 | H291 | sing | 0.97Å | 0.95Å | |
| O35 | H1 | sing | 0.97Å | 0.95Å | |
| O40 | H401 | sing | 0.97Å | 0.95Å | |
| S33 | H2 | sing | 1.34Å | 1.30Å | |
| S36 | H3 | sing | 1.34Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O40 | C39 | C38 | 105.7° | 109.5° |
| O40 | C39 | H392 | 110.4° | 109.5° |
| O40 | C39 | H391 | 110.4° | 109.5° |
| C39 | O40 | H401 | 109.5° | 114.0° |
| C39 | C38 | O41 | 111.5° | 110.5° |
| C39 | C38 | C10 | 137.0° | 110.4° |
| C39 | C38 | H381 | 98.6° | 110.3° |
| C38 | C39 | H392 | 110.4° | 109.5° |
| C38 | C39 | H391 | 110.4° | 109.4° |
| C38 | O41 | C07 | 107.2° | 105.3° |
| O41 | C38 | C10 | 103.9° | 104.8° |
| O41 | C38 | H381 | 98.1° | 110.4° |
| O41 | C07 | N06 | 114.8° | 110.4° |
| O41 | C07 | C08 | 112.0° | 104.8° |
| O41 | C07 | H071 | 100.5° | 110.5° |
| N45 | C44 | N43 | 121.5° | 119.1° |
| N45 | C44 | N46 | 116.3° | 119.0° |
| C44 | N45 | H451 | 120.0° | 120.0° |
| C44 | N45 | H452 | 120.0° | 120.0° |
| C38 | C10 | O11 | 117.7° | 110.5° |
| C38 | C10 | C08 | 113.8° | 104.1° |
| C38 | C10 | H101 | 104.8° | 110.6° |
| C10 | C38 | H381 | 99.9° | 110.4° |
| N43 | C44 | N46 | 122.2° | 121.9° |
| C44 | N43 | C42 | 114.0° | 121.1° |
| C44 | N46 | C02 | 124.9° | 120.3° |
| C44 | N46 | H461 | 117.5° | 119.8° |
| N43 | C42 | N06 | 127.0° | 134.2° |
| N43 | C42 | C03 | 124.9° | 119.7° |
| N46 | C02 | C03 | 113.0° | 118.3° |
| N46 | C02 | O01 | 118.6° | 120.8° |
| C02 | N46 | H461 | 117.6° | 119.9° |
| N06 | C42 | C03 | 108.1° | 106.1° |
| C42 | N06 | C07 | 131.8° | 126.3° |
| C42 | N06 | C05 | 106.5° | 107.5° |
| C42 | C03 | C02 | 120.8° | 118.6° |
| C42 | C03 | N04 | 107.7° | 107.3° |
| N06 | C07 | C08 | 124.5° | 110.4° |
| C07 | N06 | C05 | 121.6° | 126.3° |
| N06 | C07 | H071 | 99.7° | 110.4° |
| C07 | C08 | C10 | 100.4° | 104.1° |
| C07 | C08 | O09 | 123.4° | 110.5° |
| C08 | C07 | H071 | 99.3° | 110.4° |
| C07 | C08 | H081 | 102.0° | 110.5° |
| C03 | C02 | O01 | 128.4° | 120.9° |
| C02 | C03 | N04 | 131.4° | 134.1° |
| N06 | C05 | N04 | 110.1° | 109.8° |
| N06 | C05 | H051 | 124.9° | 125.0° |
| C03 | N04 | C05 | 107.5° | 109.3° |
| O34 | P32 | O35 | 114.0° | 109.5° |
| O34 | P32 | O31 | 101.3° | 109.4° |
| O34 | P32 | S33 | 114.3° | 109.5° |
| O11 | C10 | C08 | 112.6° | 110.5° |
| C10 | O11 | P12 | 127.0° | 123.0° |
| O11 | C10 | H101 | 103.2° | 110.5° |
| C10 | C08 | O09 | 122.3° | 110.5° |
| C08 | C10 | H101 | 102.6° | 110.5° |
| C10 | C08 | H081 | 101.8° | 110.6° |
| N04 | C05 | H051 | 124.9° | 125.1° |
| O35 | P32 | O31 | 107.8° | 109.5° |
| O35 | P32 | S33 | 109.3° | 109.5° |
| P32 | O35 | H1 | 109.5° | 114.0° |
| O11 | P12 | O13 | 100.2° | 109.4° |
| O11 | P12 | O37 | 105.7° | 109.5° |
| O11 | P12 | S36 | 115.0° | 109.5° |
| O09 | C08 | H081 | 103.3° | 110.5° |
| C08 | O09 | H091 | 109.5° | 114.1° |
| O29 | C28 | C30 | 106.9° | 110.9° |
| O29 | C28 | C17 | 117.3° | 110.9° |
| O29 | C28 | H281 | 105.9° | 110.8° |
| C28 | O29 | H291 | 109.5° | 114.0° |
| O31 | P32 | S33 | 109.5° | 109.5° |
| P32 | O31 | C30 | 124.6° | 123.0° |
| P32 | S33 | H2 | 102.0° | 103.0° |
| O31 | C30 | C28 | 128.7° | 110.5° |
| O31 | C30 | C15 | 122.5° | 110.5° |
| O31 | C30 | H301 | 100.5° | 110.6° |
| P12 | O13 | C14 | 117.6° | 122.9° |
| O13 | P12 | O37 | 111.0° | 109.5° |
| O13 | P12 | S36 | 111.0° | 109.5° |
| O13 | C14 | C15 | 112.7° | 109.4° |
| O13 | C14 | H142 | 108.7° | 109.5° |
| O13 | C14 | H141 | 108.7° | 109.5° |
| O37 | P12 | S36 | 113.1° | 109.5° |
| P12 | S36 | H3 | 102.0° | 103.0° |
| C28 | C30 | C15 | 99.7° | 104.2° |
| C30 | C28 | C17 | 113.2° | 102.1° |
| C30 | C28 | H281 | 105.4° | 110.9° |
| C28 | C30 | H301 | 99.7° | 110.5° |
| C30 | C15 | C14 | 127.7° | 109.9° |
| C30 | C15 | O16 | 112.3° | 107.3° |
| C30 | C15 | H151 | 94.5° | 110.0° |
| C15 | C30 | H301 | 99.4° | 110.5° |
| C28 | C17 | O16 | 108.4° | 103.5° |
| C28 | C17 | N18 | 131.4° | 110.6° |
| C28 | C17 | H171 | 102.6° | 110.8° |
| C17 | C28 | H281 | 107.3° | 110.9° |
| C14 | C15 | O16 | 118.0° | 109.9° |
| C14 | C15 | H151 | 94.4° | 109.9° |
| C15 | C14 | H142 | 108.7° | 109.4° |
| C15 | C14 | H141 | 108.6° | 109.4° |
| C15 | O16 | C17 | 105.6° | 107.0° |
| O16 | C15 | H151 | 95.1° | 109.9° |
| O16 | C17 | N18 | 107.8° | 110.6° |
| O16 | C17 | H171 | 100.9° | 110.6° |
| C17 | N18 | C19 | 127.3° | 126.3° |
| C17 | N18 | C21 | 123.9° | 126.3° |
| N18 | C17 | H171 | 101.2° | 110.6° |
| N18 | C19 | N20 | 110.8° | 109.9° |
| C19 | N18 | C21 | 108.3° | 107.4° |
| N18 | C19 | H191 | 124.6° | 125.0° |
| C19 | N20 | C22 | 106.2° | 109.5° |
| N20 | C19 | H191 | 124.6° | 125.0° |
| N18 | C21 | C22 | 105.9° | 106.0° |
| N18 | C21 | N27 | 132.7° | 134.9° |
| N20 | C22 | C21 | 108.8° | 107.1° |
| N20 | C22 | C23 | 133.6° | 134.7° |
| C22 | C21 | N27 | 121.3° | 119.1° |
| C21 | C22 | C23 | 117.7° | 118.1° |
| C21 | N27 | C26 | 116.4° | 120.7° |
| C22 | C23 | N25 | 119.0° | 118.4° |
| C22 | C23 | N24 | 120.6° | 120.8° |
| N27 | C26 | N25 | 123.9° | 122.4° |
| N27 | C26 | H261 | 118.1° | 118.8° |
| C26 | N25 | C23 | 121.6° | 121.2° |
| N25 | C26 | H261 | 118.0° | 118.8° |
| N25 | C23 | N24 | 120.2° | 120.7° |
| C23 | N24 | H242 | 109.5° | 120.0° |
| C23 | N24 | H241 | 109.5° | 120.1° |
| H142 | C14 | H141 | 109.4° | 109.5° |
| H392 | C39 | H391 | 109.5° | 109.4° |
| H242 | N24 | H241 | 109.4° | 119.9° |
| H451 | N45 | H452 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O40 | C39 | C38 | H392 | 119.4° | 120.0° |
| O40 | C39 | C38 | H391 | 119.4° | 120.0° |
| O40 | C39 | C38 | O41 | 75.9° | 69.6° |
| O40 | C39 | C38 | C10 | 67.2° | 175.0° |
| O40 | C39 | C38 | H381 | 178.1° | 52.8° |
| O40 | C39 | H392 | H391 | 121.7° | 120.0° |
| C39 | C38 | O41 | C10 | 155.1° | 118.9° |
| C39 | C38 | O41 | H381 | 102.6° | 122.3° |
| C39 | C38 | O41 | C07 | 171.7° | 159.4° |
| C39 | C38 | C10 | H381 | 114.2° | 122.2° |
| C39 | C38 | C10 | O11 | 66.7° | 98.4° |
| C39 | C38 | C10 | C08 | 158.4° | 142.9° |
| C39 | C38 | C10 | H101 | 47.1° | 24.3° |
| C38 | C39 | H392 | H391 | 121.8° | 119.9° |
| C38 | C39 | O40 | H401 | 9.5° | 180.0° |
| O41 | C38 | C10 | H381 | 100.9° | 118.9° |
| C38 | O41 | C07 | N06 | 162.7° | 159.4° |
| C38 | O41 | C07 | C08 | 13.2° | 40.5° |
| O41 | C38 | C10 | O11 | 148.4° | 142.7° |
| O41 | C38 | C10 | C08 | 13.5° | 24.0° |
| O41 | C38 | C10 | H101 | 97.8° | 94.7° |
| C38 | O41 | C07 | H071 | 91.4° | 78.3° |
| O41 | C38 | C39 | H392 | 164.7° | 170.4° |
| O41 | C38 | C39 | H391 | 43.5° | 50.4° |
| C07 | O41 | C38 | C10 | 16.7° | 40.5° |
| O41 | C07 | N06 | C42 | 99.8° | 159.6° |
| O41 | C07 | N06 | C08 | 145.1° | 115.3° |
| O41 | C07 | N06 | H071 | 106.5° | 122.4° |
| O41 | C07 | C08 | H071 | 105.4° | 118.9° |
| O41 | C07 | N06 | C05 | 76.5° | 20.4° |
| O41 | C07 | C08 | C10 | 5.5° | 24.0° |
| O41 | C07 | C08 | O09 | 146.0° | 142.7° |
| O41 | C07 | C08 | H081 | 99.0° | 94.7° |
| C07 | O41 | C38 | H381 | 85.6° | 78.3° |
| N45 | C44 | N43 | N46 | 178.6° | 179.6° |
| N45 | C44 | N43 | C42 | 179.0° | 180.0° |
| N45 | C44 | N46 | C02 | 177.8° | 179.7° |
| C44 | N45 | H451 | H452 | 180.0° | 180.0° |
| N45 | C44 | N46 | H461 | 2.2° | 0.3° |
| C38 | C10 | C08 | C07 | 6.4° | 0.0° |
| C38 | C10 | O11 | C08 | 135.4° | 114.7° |
| C38 | C10 | O11 | H101 | 114.7° | 122.7° |
| C38 | C10 | C08 | H101 | 112.6° | 118.8° |
| C38 | C10 | O11 | P12 | 141.5° | 125.4° |
| C38 | C10 | C08 | O09 | 134.6° | 118.6° |
| C38 | C10 | C08 | H081 | 111.2° | 118.6° |
| C10 | C38 | C39 | H392 | 52.2° | 54.9° |
| C10 | C38 | C39 | H391 | 173.4° | 65.0° |
| N43 | C44 | N46 | C02 | 3.5° | 0.6° |
| C44 | N43 | C42 | N06 | 178.6° | 180.0° |
| C44 | N43 | C42 | C03 | 2.7° | 0.1° |
| N43 | C44 | N45 | H451 | 0.0° | 0.0° |
| N43 | C44 | N45 | H452 | 180.0° | 180.0° |
| N43 | C44 | N46 | H461 | 176.5° | 180.0° |
| N46 | C44 | N43 | C42 | 2.3° | 0.4° |
| C44 | N46 | C02 | H461 | 180.0° | 179.4° |
| C44 | N46 | C02 | C03 | 4.2° | 0.6° |
| C44 | N46 | C02 | O01 | 175.4° | 179.7° |
| N46 | C44 | N45 | H451 | 178.7° | 179.7° |
| N46 | C44 | N45 | H452 | 1.3° | 0.3° |
| N43 | C42 | N06 | C03 | 178.8° | 180.0° |
| N43 | C42 | N06 | C07 | 3.6° | 0.0° |
| N43 | C42 | C03 | C02 | 3.9° | 0.0° |
| N43 | C42 | N06 | C05 | 179.7° | 180.0° |
| N43 | C42 | C03 | N04 | 179.9° | 180.0° |
| N46 | C02 | C03 | C42 | 4.3° | 0.3° |
| N46 | C02 | C03 | O01 | 179.5° | 179.7° |
| N46 | C02 | C03 | N04 | 179.2° | 179.8° |
| C42 | N06 | C07 | C05 | 176.3° | 180.0° |
| C42 | N06 | C07 | C08 | 115.0° | 85.0° |
| N06 | C42 | C03 | C02 | 177.2° | 180.0° |
| N06 | C42 | C03 | N04 | 1.3° | 0.0° |
| C42 | N06 | C05 | N04 | 1.2° | 0.0° |
| C42 | N06 | C05 | H051 | 178.8° | 180.0° |
| C42 | N06 | C07 | H071 | 6.6° | 37.2° |
| C03 | C42 | N06 | C07 | 175.3° | 180.0° |
| C42 | C03 | C02 | N04 | 174.9° | 179.9° |
| C42 | C03 | C02 | O01 | 175.3° | 180.0° |
| C03 | C42 | N06 | C05 | 1.5° | 0.0° |
| C42 | C03 | N04 | C05 | 0.5° | 0.0° |
| N06 | C07 | C08 | H071 | 108.6° | 122.3° |
| N06 | C07 | C08 | C10 | 151.5° | 142.8° |
| C07 | N06 | C05 | N04 | 175.9° | 180.0° |
| N06 | C07 | C08 | O09 | 68.0° | 98.5° |
| C07 | N06 | C05 | H051 | 4.1° | 0.0° |
| N06 | C07 | C08 | H081 | 47.0° | 24.1° |
| C08 | C07 | N06 | C05 | 68.6° | 95.0° |
| C07 | C08 | C10 | O11 | 143.6° | 118.7° |
| C07 | C08 | C10 | O09 | 141.0° | 118.6° |
| C07 | C08 | C10 | H081 | 104.7° | 118.6° |
| C07 | C08 | O09 | H081 | 114.4° | 122.6° |
| C07 | C08 | C10 | H101 | 106.2° | 118.8° |
| C07 | C08 | O09 | H091 | 180.0° | 65.3° |
| C02 | C03 | N04 | C05 | 175.8° | 180.0° |
| C03 | C02 | N46 | H461 | 175.8° | 180.0° |
| O01 | C02 | C03 | N04 | 0.4° | 0.0° |
| O01 | C02 | N46 | H461 | 4.6° | 0.3° |
| N06 | C05 | N04 | C03 | 0.5° | 0.0° |
| N06 | C05 | N04 | H051 | 180.0° | 180.0° |
| C05 | N06 | C07 | H071 | 177.0° | 142.7° |
| C03 | N04 | C05 | H051 | 179.6° | 180.0° |
| O34 | P32 | O35 | O31 | 111.6° | 120.0° |
| O34 | P32 | O35 | S33 | 129.4° | 120.0° |
| O34 | P32 | O31 | S33 | 121.1° | 120.0° |
| O34 | P32 | O31 | C30 | 178.0° | 55.0° |
| O34 | P32 | O35 | H1 | 0.0° | 180.0° |
| O34 | P32 | S33 | H2 | 0.0° | 60.0° |
| O11 | C10 | C08 | H101 | 110.3° | 122.6° |
| O11 | C10 | C08 | O09 | 2.5° | 0.0° |
| C10 | O11 | P12 | O13 | 62.4° | 175.0° |
| C10 | O11 | P12 | O37 | 177.8° | 55.0° |
| C10 | O11 | P12 | S36 | 56.7° | 65.0° |
| O11 | C10 | C08 | H081 | 111.7° | 122.7° |
| O11 | C10 | C38 | H381 | 47.4° | 23.8° |
| C08 | C10 | O11 | P12 | 83.1° | 120.0° |
| C10 | C08 | O09 | H081 | 113.4° | 122.8° |
| C10 | C08 | C07 | H071 | 99.9° | 94.9° |
| C08 | C10 | C38 | H381 | 87.5° | 94.9° |
| C10 | C08 | O09 | H091 | 47.8° | 180.0° |
| O35 | P32 | O31 | S33 | 118.9° | 120.0° |
| O35 | P32 | O31 | C30 | 61.9° | 175.0° |
| O35 | P32 | S33 | H2 | 129.2° | 60.0° |
| O11 | P12 | O13 | O37 | 111.3° | 120.0° |
| O11 | P12 | O13 | S36 | 122.0° | 120.0° |
| O11 | P12 | O13 | C14 | 166.1° | 175.0° |
| O11 | P12 | O37 | S36 | 126.7° | 120.0° |
| P12 | O11 | C10 | H101 | 26.8° | 2.6° |
| O11 | P12 | S36 | H3 | 121.5° | 60.0° |
| O09 | C08 | C10 | H101 | 112.8° | 122.6° |
| O09 | C08 | C07 | H071 | 40.5° | 23.8° |
| O29 | C28 | C30 | O31 | 23.4° | 20.4° |
| O29 | C28 | C30 | C17 | 130.6° | 118.1° |
| O29 | C28 | C30 | H281 | 112.4° | 123.6° |
| O29 | C28 | C30 | C15 | 123.3° | 139.1° |
| O29 | C28 | C17 | H281 | 119.0° | 123.6° |
| O29 | C28 | C17 | O16 | 121.8° | 155.3° |
| O29 | C28 | C17 | N18 | 101.9° | 86.3° |
| O29 | C28 | C17 | H171 | 15.7° | 36.7° |
| O29 | C28 | C30 | H301 | 135.3° | 102.3° |
| P32 | O31 | C30 | C28 | 53.5° | 121.4° |
| P32 | O31 | C30 | C15 | 166.4° | 123.8° |
| P32 | O31 | C30 | H301 | 58.1° | 1.1° |
| O31 | P32 | O35 | H1 | 111.6° | 60.0° |
| O31 | P32 | S33 | H2 | 112.8° | 180.0° |
| S33 | P32 | O31 | C30 | 56.9° | 65.0° |
| S33 | P32 | O35 | H1 | 129.4° | 60.0° |
| O31 | C30 | C28 | C15 | 146.7° | 118.7° |
| O31 | C30 | C28 | H301 | 111.9° | 122.6° |
| O31 | C30 | C15 | H301 | 108.9° | 122.7° |
| O31 | C30 | C28 | C17 | 154.0° | 97.8° |
| O31 | C30 | C15 | C14 | 38.0° | 119.9° |
| O31 | C30 | C15 | O16 | 158.6° | 120.7° |
| O31 | C30 | C15 | H151 | 61.2° | 1.2° |
| O31 | C30 | C28 | H281 | 89.0° | 144.0° |
| O13 | P12 | O37 | S36 | 125.6° | 120.0° |
| P12 | O13 | C14 | C15 | 147.0° | 180.0° |
| P12 | O13 | C14 | H142 | 92.5° | 60.0° |
| P12 | O13 | C14 | H141 | 26.5° | 60.1° |
| O13 | P12 | S36 | H3 | 125.6° | 60.0° |
| C14 | O13 | P12 | O37 | 82.6° | 55.0° |
| C14 | O13 | P12 | S36 | 44.1° | 65.0° |
| O13 | C14 | C15 | C30 | 46.7° | 175.7° |
| O13 | C14 | C15 | H142 | 120.5° | 120.0° |
| O13 | C14 | C15 | H141 | 120.5° | 120.0° |
| O13 | C14 | C15 | O16 | 150.8° | 66.5° |
| O13 | C14 | C15 | H151 | 52.5° | 54.5° |
| O13 | C14 | H142 | H141 | 118.5° | 120.1° |
| O37 | P12 | S36 | H3 | 0.0° | 180.0° |
| C28 | C30 | C15 | H301 | 101.7° | 118.6° |
| C30 | C28 | C17 | H281 | 115.8° | 118.2° |
| C28 | C30 | C15 | C14 | 172.6° | 121.4° |
| C28 | C30 | C15 | O16 | 9.3° | 2.0° |
| C30 | C28 | C17 | O16 | 3.3° | 37.1° |
| C30 | C28 | C17 | N18 | 132.9° | 155.5° |
| C28 | C30 | C15 | H151 | 88.2° | 117.4° |
| C30 | C28 | C17 | H171 | 109.5° | 81.5° |
| C30 | C28 | O29 | H291 | 180.0° | 174.2° |
| C15 | C30 | C28 | C17 | 7.3° | 20.9° |
| C30 | C15 | C14 | O16 | 162.5° | 117.8° |
| C30 | C15 | C14 | H151 | 99.2° | 121.2° |
| C30 | C15 | O16 | H151 | 97.1° | 119.6° |
| C30 | C15 | O16 | C17 | 7.7° | 26.5° |
| C15 | C30 | C28 | H281 | 124.3° | 97.3° |
| C30 | C15 | C14 | H142 | 167.2° | 55.7° |
| C30 | C15 | C14 | H141 | 73.8° | 64.3° |
| C28 | C17 | O16 | C15 | 2.8° | 40.1° |
| C28 | C17 | O16 | N18 | 147.0° | 118.4° |
| C28 | C17 | O16 | H171 | 107.3° | 118.7° |
| C28 | C17 | N18 | H171 | 118.1° | 123.1° |
| C28 | C17 | N18 | C19 | 96.1° | 90.6° |
| C28 | C17 | N18 | C21 | 74.8° | 89.5° |
| C17 | C28 | C30 | H301 | 94.1° | 139.6° |
| C17 | C28 | O29 | H291 | 51.7° | 61.5° |
| C14 | C15 | O16 | H151 | 97.8° | 121.0° |
| C14 | C15 | O16 | C17 | 172.8° | 146.0° |
| C15 | C14 | H142 | H141 | 118.5° | 119.9° |
| C14 | C15 | C30 | H301 | 70.9° | 2.8° |
| C15 | O16 | C17 | N18 | 149.9° | 158.5° |
| C15 | O16 | C17 | H171 | 104.5° | 78.6° |
| O16 | C15 | C14 | H142 | 30.3° | 173.5° |
| O16 | C15 | C14 | H141 | 88.7° | 53.5° |
| O16 | C15 | C30 | H301 | 92.4° | 116.6° |
| O16 | C17 | N18 | H171 | 105.4° | 122.9° |
| O16 | C17 | N18 | C19 | 127.4° | 23.4° |
| O16 | C17 | N18 | C21 | 61.7° | 156.4° |
| C17 | O16 | C15 | H151 | 89.3° | 93.0° |
| O16 | C17 | C28 | H281 | 119.2° | 81.1° |
| C17 | N18 | C19 | C21 | 172.0° | 179.9° |
| C17 | N18 | C19 | N20 | 174.1° | 179.8° |
| C17 | N18 | C21 | C22 | 174.8° | 179.9° |
| C17 | N18 | C21 | N27 | 8.0° | 0.2° |
| N18 | C17 | C28 | H281 | 17.1° | 37.3° |
| C17 | N18 | C19 | H191 | 5.9° | 0.1° |
| N18 | C19 | N20 | H191 | 180.0° | 179.7° |
| N18 | C19 | N20 | C22 | 0.7° | 0.5° |
| C19 | N18 | C21 | C22 | 2.4° | 0.0° |
| C19 | N18 | C21 | N27 | 179.6° | 179.7° |
| C19 | N18 | C17 | H171 | 22.0° | 146.3° |
| N20 | C19 | N18 | C21 | 2.0° | 0.3° |
| C19 | N20 | C22 | C21 | 0.8° | 0.4° |
| C19 | N20 | C22 | C23 | 177.8° | 179.6° |
| N18 | C21 | C22 | N20 | 2.0° | 0.2° |
| N18 | C21 | C22 | N27 | 177.6° | 179.8° |
| N18 | C21 | C22 | C23 | 176.9° | 179.8° |
| N18 | C21 | N27 | C26 | 178.4° | 179.6° |
| C21 | N18 | C17 | H171 | 167.1° | 33.5° |
| C21 | N18 | C19 | H191 | 178.0° | 180.0° |
| N20 | C22 | C21 | C23 | 178.9° | 180.0° |
| N20 | C22 | C21 | N27 | 179.6° | 180.0° |
| N20 | C22 | C23 | N25 | 177.7° | 180.0° |
| N20 | C22 | C23 | N24 | 3.7° | 0.0° |
| C22 | N20 | C19 | H191 | 179.3° | 179.8° |
| C22 | C21 | N27 | C26 | 1.6° | 0.0° |
| C21 | C22 | C23 | N25 | 3.8° | 0.0° |
| C21 | C22 | C23 | N24 | 177.8° | 180.0° |
| N27 | C21 | C22 | C23 | 0.7° | 0.0° |
| C21 | N27 | C26 | N25 | 0.9° | 0.1° |
| C21 | N27 | C26 | H261 | 179.0° | 179.9° |
| C22 | C23 | N25 | C26 | 4.6° | 0.0° |
| C22 | C23 | N25 | N24 | 174.0° | 180.0° |
| C22 | C23 | N24 | H242 | 173.9° | 0.0° |
| C22 | C23 | N24 | H241 | 53.9° | 180.0° |
| N27 | C26 | N25 | H261 | 180.0° | 180.0° |
| N27 | C26 | N25 | C23 | 2.2° | 0.0° |
| C26 | N25 | C23 | N24 | 178.6° | 180.0° |
| C23 | N25 | C26 | H261 | 177.8° | 180.0° |
| N25 | C23 | N24 | H242 | 0.0° | 180.0° |
| N25 | C23 | N24 | H241 | 120.0° | 0.0° |
| C23 | N24 | H242 | H241 | 120.0° | 180.0° |
| H101 | C10 | C08 | H081 | 1.4° | 0.2° |
| H101 | C10 | C38 | H381 | 161.3° | 146.4° |
| H151 | C15 | C14 | H142 | 68.0° | 65.5° |
| H151 | C15 | C14 | H141 | 173.1° | 174.5° |
| H151 | C15 | C30 | H301 | 170.1° | 123.9° |
| H171 | C17 | C28 | H281 | 134.7° | 160.3° |
| H281 | C28 | C30 | H301 | 22.9° | 21.4° |
| H281 | C28 | O29 | H291 | 68.0° | 62.1° |
| H071 | C07 | C08 | H081 | 155.5° | 146.4° |
| H081 | C08 | O09 | H091 | 65.6° | 57.3° |
| H381 | C38 | C39 | H392 | 62.4° | 67.3° |
| H381 | C38 | C39 | H391 | 58.8° | 172.8° |
| H392 | C39 | O40 | H401 | 128.8° | 60.0° |
| H391 | C39 | O40 | H401 | 110.0° | 60.0° |
