JIL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C02 | sing | 1.43Å | 1.42Å | |
| C02 | C03 | sing | 1.55Å | 1.48Å | |
| C02 | C06 | sing | 1.55Å | 1.53Å | |
| C03 | C04 | sing | 1.54Å | 1.52Å | |
| C03 | O36 | sing | 1.43Å | 1.40Å | |
| C04 | O05 | sing | 1.44Å | 1.44Å | |
| C04 | N26 | sing | 1.47Å | 1.43Å | |
| O05 | C06 | sing | 1.44Å | 1.44Å | |
| C06 | C07 | sing | 1.53Å | 1.54Å | |
| C07 | S08 | sing | 1.81Å | 1.79Å | |
| S08 | C09 | sing | 1.81Å | 1.76Å | |
| C09 | C10 | sing | 1.53Å | 1.56Å | |
| C10 | N11 | sing | 1.47Å | 1.49Å | |
| N11 | C12 | sing | 1.47Å | 1.40Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C13 | N14 | sing | 1.47Å | 1.40Å | |
| C13 | C25 | sing | 1.53Å | 1.59Å | |
| N14 | C15 | sing | 1.47Å | 1.42Å | |
| C15 | C16 | sing | 1.51Å | 1.50Å | |
| C16 | C17 | doub | 1.39Å | 1.42Å | Aromatic |
| C16 | C24 | sing | 1.38Å | 1.35Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C18 | N19 | sing | 1.48Å | 1.44Å | |
| C18 | C22 | doub | 1.38Å | 1.37Å | Aromatic |
| N19 | O20 | doub | 1.22Å | 1.44Å | |
| N19 | O21 | sing | 1.22Å | 1.25Å | |
| C22 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C23 | C24 | doub | 1.39Å | 1.45Å | Aromatic |
| C24 | C25 | sing | 1.51Å | 1.58Å | |
| N26 | C27 | sing | 1.37Å | 1.39Å | Aromatic |
| N26 | C30 | sing | 1.36Å | 1.33Å | Aromatic |
| C27 | C28 | doub | 1.40Å | 1.41Å | Aromatic |
| C27 | N35 | sing | 1.33Å | 1.38Å | Aromatic |
| C28 | N29 | sing | 1.35Å | 1.38Å | Aromatic |
| C28 | C31 | sing | 1.40Å | 1.43Å | Aromatic |
| N29 | C30 | doub | 1.30Å | 1.39Å | Aromatic |
| C31 | N32 | sing | 1.38Å | 1.47Å | |
| C31 | N33 | doub | 1.33Å | 1.34Å | Aromatic |
| N33 | C34 | sing | 1.32Å | 1.34Å | Aromatic |
| C34 | N35 | doub | 1.32Å | 1.33Å | Aromatic |
| O01 | H011 | sing | 0.97Å | 0.95Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| N11 | H111 | sing | 1.01Å | 1.00Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| N14 | H141 | sing | 1.01Å | 1.00Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.08Å | 1.08Å | |
| N32 | H321 | sing | 0.97Å | 1.00Å | |
| N32 | H322 | sing | 0.97Å | 1.00Å | |
| C34 | H341 | sing | 1.08Å | 1.08Å | |
| O36 | H361 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | C03 | 110.9° | 110.9° |
| O01 | C02 | C06 | 121.9° | 110.9° |
| C02 | O01 | H011 | 109.5° | 114.0° |
| O01 | C02 | H021 | 110.3° | 110.8° |
| C03 | C02 | C06 | 94.2° | 102.1° |
| C02 | C03 | C04 | 103.2° | 104.2° |
| C02 | C03 | O36 | 114.1° | 110.5° |
| C03 | C02 | H021 | 109.5° | 110.9° |
| C02 | C03 | H031 | 109.7° | 110.5° |
| C02 | C06 | O05 | 107.4° | 103.5° |
| C02 | C06 | C07 | 123.2° | 110.6° |
| C06 | C02 | H021 | 108.8° | 110.9° |
| C02 | C06 | H061 | 106.4° | 110.6° |
| C04 | C03 | O36 | 109.5° | 110.5° |
| C03 | C04 | O05 | 105.3° | 107.3° |
| C03 | C04 | N26 | 105.9° | 109.9° |
| C04 | C03 | H031 | 109.2° | 110.5° |
| C03 | C04 | H041 | 109.2° | 109.9° |
| O36 | C03 | H031 | 110.9° | 110.5° |
| C03 | O36 | H361 | 109.5° | 114.0° |
| O05 | C04 | N26 | 115.5° | 109.8° |
| C04 | O05 | C06 | 104.7° | 107.0° |
| O05 | C04 | H041 | 110.3° | 109.9° |
| C04 | N26 | C27 | 114.8° | 126.2° |
| C04 | N26 | C30 | 134.2° | 126.3° |
| N26 | C04 | H041 | 110.4° | 110.0° |
| O05 | C06 | C07 | 105.2° | 110.6° |
| O05 | C06 | H061 | 107.4° | 110.6° |
| C06 | C07 | S08 | 115.8° | 109.4° |
| C07 | C06 | H061 | 106.3° | 110.7° |
| C06 | C07 | H071 | 107.9° | 109.5° |
| C06 | C07 | H072 | 107.8° | 109.4° |
| C07 | S08 | C09 | 103.0° | 103.0° |
| S08 | C07 | H071 | 107.9° | 109.5° |
| S08 | C07 | H072 | 107.9° | 109.5° |
| S08 | C09 | C10 | 112.2° | 109.5° |
| S08 | C09 | H091 | 108.8° | 109.4° |
| S08 | C09 | H092 | 108.8° | 109.4° |
| C09 | C10 | N11 | 109.8° | 109.5° |
| C10 | C09 | H091 | 108.8° | 109.5° |
| C10 | C09 | H092 | 108.8° | 109.5° |
| C09 | C10 | H101 | 109.4° | 109.5° |
| C09 | C10 | H102 | 109.4° | 109.5° |
| C10 | N11 | C12 | 110.9° | 111.0° |
| N11 | C10 | H101 | 109.4° | 109.4° |
| N11 | C10 | H102 | 109.4° | 109.5° |
| C10 | N11 | H111 | 109.1° | 111.0° |
| N11 | C12 | C13 | 115.2° | 109.5° |
| C12 | N11 | H111 | 109.1° | 111.0° |
| N11 | C12 | H121 | 108.0° | 109.5° |
| N11 | C12 | H122 | 108.0° | 109.5° |
| C12 | C13 | N14 | 108.9° | 109.6° |
| C12 | C13 | C25 | 109.1° | 109.7° |
| C13 | C12 | H121 | 108.0° | 109.4° |
| C13 | C12 | H122 | 108.0° | 109.4° |
| C12 | C13 | H131 | 108.6° | 109.6° |
| N14 | C13 | C25 | 111.9° | 108.5° |
| C13 | N14 | C15 | 115.7° | 110.2° |
| N14 | C13 | H131 | 110.5° | 109.6° |
| C13 | N14 | H141 | 107.9° | 111.0° |
| C13 | C25 | C24 | 110.0° | 110.0° |
| C25 | C13 | H131 | 107.9° | 109.8° |
| C13 | C25 | H251 | 109.3° | 109.3° |
| C13 | C25 | H252 | 109.3° | 109.4° |
| N14 | C15 | C16 | 104.1° | 110.5° |
| C15 | N14 | H141 | 107.9° | 111.0° |
| N14 | C15 | H151 | 110.8° | 109.3° |
| N14 | C15 | H152 | 110.8° | 109.3° |
| C15 | C16 | C17 | 119.4° | 118.4° |
| C15 | C16 | C24 | 120.7° | 121.9° |
| C16 | C15 | H151 | 110.8° | 109.2° |
| C16 | C15 | H152 | 110.8° | 109.3° |
| C17 | C16 | C24 | 119.9° | 119.7° |
| C16 | C17 | C18 | 116.7° | 120.4° |
| C16 | C17 | H171 | 121.6° | 119.8° |
| C16 | C24 | C23 | 122.4° | 119.8° |
| C16 | C24 | C25 | 120.6° | 121.7° |
| C17 | C18 | N19 | 118.6° | 120.1° |
| C17 | C18 | C22 | 123.9° | 119.9° |
| C18 | C17 | H171 | 121.6° | 119.8° |
| N19 | C18 | C22 | 117.4° | 120.1° |
| C18 | N19 | O20 | 118.8° | 120.0° |
| C18 | N19 | O21 | 115.9° | 120.0° |
| C18 | C22 | C23 | 119.8° | 119.8° |
| C18 | C22 | H221 | 120.1° | 120.1° |
| O20 | N19 | O21 | 125.2° | 119.9° |
| C22 | C23 | C24 | 117.3° | 120.3° |
| C23 | C22 | H221 | 120.1° | 120.1° |
| C22 | C23 | H231 | 121.4° | 119.8° |
| C23 | C24 | C25 | 116.9° | 118.5° |
| C24 | C23 | H231 | 121.4° | 119.8° |
| C24 | C25 | H251 | 109.3° | 109.5° |
| C24 | C25 | H252 | 109.3° | 109.4° |
| C27 | N26 | C30 | 111.0° | 107.4° |
| N26 | C27 | C28 | 105.5° | 106.0° |
| N26 | C27 | N35 | 135.4° | 134.9° |
| N26 | C30 | N29 | 107.6° | 110.0° |
| N26 | C30 | H301 | 126.2° | 125.0° |
| C28 | C27 | N35 | 119.1° | 119.1° |
| C27 | C28 | N29 | 107.3° | 107.1° |
| C27 | C28 | C31 | 117.8° | 118.2° |
| C27 | N35 | C34 | 121.2° | 120.6° |
| N29 | C28 | C31 | 134.9° | 134.7° |
| C28 | N29 | C30 | 108.5° | 109.5° |
| C28 | C31 | N32 | 121.3° | 120.8° |
| C28 | C31 | N33 | 118.1° | 118.5° |
| N29 | C30 | H301 | 126.2° | 125.0° |
| N32 | C31 | N33 | 120.6° | 120.8° |
| C31 | N32 | H321 | 109.5° | 120.0° |
| C31 | N32 | H322 | 109.5° | 120.0° |
| C31 | N33 | C34 | 123.5° | 121.2° |
| N33 | C34 | N35 | 120.3° | 122.5° |
| N33 | C34 | H341 | 119.8° | 118.7° |
| N35 | C34 | H341 | 119.9° | 118.8° |
| H071 | C07 | H072 | 109.5° | 109.5° |
| H091 | C09 | H092 | 109.5° | 109.4° |
| H101 | C10 | H102 | 109.4° | 109.5° |
| H121 | C12 | H122 | 109.5° | 109.5° |
| H151 | C15 | H152 | 109.5° | 109.2° |
| H251 | C25 | H252 | 109.4° | 109.3° |
| H321 | N32 | H322 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | C03 | C06 | 126.5° | 118.2° |
| O01 | C02 | C03 | H021 | 121.9° | 123.6° |
| O01 | C02 | C06 | H021 | 130.0° | 123.6° |
| O01 | C02 | C03 | C04 | 79.5° | 97.3° |
| O01 | C02 | C03 | O36 | 39.1° | 21.4° |
| O01 | C02 | C06 | O05 | 72.5° | 81.2° |
| O01 | C02 | C06 | C07 | 49.7° | 37.3° |
| O01 | C02 | C03 | H031 | 164.2° | 144.0° |
| O01 | C02 | C06 | H061 | 172.7° | 160.4° |
| C03 | C02 | C06 | H021 | 112.2° | 118.2° |
| C02 | C03 | C04 | O36 | 121.8° | 118.7° |
| C02 | C03 | C04 | H031 | 116.6° | 118.7° |
| C02 | C03 | O36 | H031 | 124.4° | 122.6° |
| C02 | C03 | C04 | O05 | 36.0° | 2.0° |
| C02 | C03 | C04 | N26 | 158.8° | 117.3° |
| C03 | C02 | C06 | O05 | 45.2° | 37.0° |
| C03 | C02 | C06 | C07 | 167.5° | 155.5° |
| C03 | C02 | O01 | H011 | 180.0° | 61.5° |
| C02 | C03 | C04 | H041 | 82.4° | 121.4° |
| C03 | C02 | C06 | H061 | 69.6° | 81.5° |
| C02 | C03 | O36 | H361 | 180.0° | 61.4° |
| C06 | C02 | C03 | C04 | 46.9° | 20.9° |
| C06 | C02 | C03 | O36 | 165.6° | 139.6° |
| C02 | C06 | O05 | C04 | 25.0° | 40.1° |
| C02 | C06 | O05 | C07 | 132.8° | 118.5° |
| C02 | C06 | O05 | H061 | 114.1° | 118.5° |
| C02 | C06 | C07 | H061 | 123.0° | 123.0° |
| C02 | C06 | C07 | S08 | 43.9° | 180.0° |
| C06 | C02 | O01 | H011 | 70.8° | 174.2° |
| C06 | C02 | C03 | H031 | 69.3° | 97.8° |
| C02 | C06 | C07 | H071 | 164.9° | 60.0° |
| C02 | C06 | C07 | H072 | 77.0° | 60.0° |
| C04 | C03 | O36 | H031 | 120.5° | 122.6° |
| C03 | C04 | O05 | N26 | 116.4° | 119.4° |
| C03 | C04 | O05 | H041 | 117.6° | 119.4° |
| C03 | C04 | N26 | H041 | 118.0° | 121.1° |
| C03 | C04 | O05 | C06 | 6.2° | 26.5° |
| C03 | C04 | N26 | C27 | 156.9° | 85.0° |
| C03 | C04 | N26 | C30 | 25.5° | 95.3° |
| C04 | C03 | C02 | H021 | 158.6° | 139.1° |
| C04 | C03 | O36 | H361 | 65.0° | 176.2° |
| O36 | C03 | C04 | O05 | 157.8° | 116.7° |
| O36 | C03 | C04 | N26 | 79.3° | 123.9° |
| O36 | C03 | C02 | H021 | 82.8° | 102.2° |
| O36 | C03 | C04 | H041 | 39.5° | 2.7° |
| O05 | C04 | N26 | H041 | 125.9° | 121.1° |
| C04 | O05 | C06 | C07 | 157.9° | 158.6° |
| O05 | C04 | N26 | C27 | 87.0° | 157.2° |
| O05 | C04 | N26 | C30 | 90.6° | 22.5° |
| O05 | C04 | C03 | H031 | 80.6° | 120.7° |
| C04 | O05 | C06 | H061 | 89.1° | 78.4° |
| N26 | C04 | O05 | C06 | 122.6° | 92.9° |
| C04 | N26 | C27 | C30 | 178.2° | 179.8° |
| C04 | N26 | C27 | C28 | 178.3° | 180.0° |
| C04 | N26 | C27 | N35 | 0.2° | 0.0° |
| C04 | N26 | C30 | N29 | 178.7° | 179.8° |
| N26 | C04 | C03 | H031 | 42.3° | 1.3° |
| C04 | N26 | C30 | H301 | 1.4° | 0.1° |
| O05 | C06 | C07 | H061 | 113.8° | 123.0° |
| O05 | C06 | C07 | S08 | 167.1° | 65.9° |
| O05 | C06 | C02 | H021 | 157.4° | 155.2° |
| C06 | O05 | C04 | H041 | 111.5° | 145.9° |
| O05 | C06 | C07 | H071 | 71.9° | 54.0° |
| O05 | C06 | C07 | H072 | 46.2° | 174.0° |
| C06 | C07 | S08 | H071 | 120.9° | 120.0° |
| C06 | C07 | S08 | H072 | 120.9° | 120.0° |
| C06 | C07 | S08 | C09 | 144.5° | 180.0° |
| C07 | C06 | C02 | H021 | 80.3° | 86.3° |
| C06 | C07 | H071 | H072 | 117.1° | 120.0° |
| C07 | S08 | C09 | C10 | 73.0° | 180.0° |
| S08 | C07 | C06 | H061 | 79.1° | 57.0° |
| S08 | C07 | H071 | H072 | 117.1° | 120.1° |
| C07 | S08 | C09 | H091 | 47.5° | 59.9° |
| C07 | S08 | C09 | H092 | 166.6° | 59.9° |
| S08 | C09 | C10 | H091 | 120.4° | 120.0° |
| S08 | C09 | C10 | H092 | 120.4° | 120.0° |
| S08 | C09 | C10 | N11 | 171.2° | 180.0° |
| C09 | S08 | C07 | H071 | 23.6° | 60.0° |
| C09 | S08 | C07 | H072 | 94.6° | 60.0° |
| S08 | C09 | H091 | H092 | 118.7° | 119.9° |
| S08 | C09 | C10 | H101 | 68.7° | 60.0° |
| S08 | C09 | C10 | H102 | 51.1° | 60.0° |
| C09 | C10 | N11 | H101 | 120.1° | 120.0° |
| C09 | C10 | N11 | H102 | 120.1° | 120.0° |
| C09 | C10 | N11 | C12 | 143.9° | 180.0° |
| C10 | C09 | H091 | H092 | 118.7° | 120.0° |
| C09 | C10 | H101 | H102 | 119.9° | 120.0° |
| C09 | C10 | N11 | H111 | 95.9° | 56.0° |
| C10 | N11 | C12 | H111 | 120.2° | 124.0° |
| C10 | N11 | C12 | C13 | 102.0° | 180.0° |
| N11 | C10 | C09 | H091 | 50.8° | 60.0° |
| N11 | C10 | C09 | H092 | 68.4° | 60.0° |
| N11 | C10 | H101 | H102 | 119.8° | 120.0° |
| C10 | N11 | C12 | H121 | 18.8° | 60.0° |
| C10 | N11 | C12 | H122 | 137.1° | 60.0° |
| N11 | C12 | C13 | H121 | 120.8° | 120.0° |
| N11 | C12 | C13 | H122 | 120.9° | 120.0° |
| N11 | C12 | C13 | N14 | 94.5° | 55.0° |
| N11 | C12 | C13 | C25 | 27.8° | 174.0° |
| C12 | N11 | C10 | H101 | 23.9° | 60.0° |
| C12 | N11 | C10 | H102 | 96.0° | 60.0° |
| N11 | C12 | H121 | H122 | 117.4° | 120.0° |
| N11 | C12 | C13 | H131 | 145.2° | 65.3° |
| C12 | C13 | N14 | C25 | 120.6° | 119.7° |
| C12 | C13 | N14 | H131 | 119.2° | 120.4° |
| C12 | C13 | C25 | H131 | 117.8° | 120.5° |
| C12 | C13 | N14 | C15 | 177.0° | 169.0° |
| C12 | C13 | C25 | C24 | 128.9° | 170.1° |
| C13 | C12 | N11 | H111 | 137.8° | 56.0° |
| C13 | C12 | H121 | H122 | 117.4° | 119.9° |
| C12 | C13 | N14 | H141 | 62.0° | 45.6° |
| C12 | C13 | C25 | H251 | 8.8° | 49.9° |
| C12 | C13 | C25 | H252 | 111.0° | 69.7° |
| N14 | C13 | C25 | H131 | 121.7° | 119.8° |
| C13 | N14 | C15 | H141 | 120.9° | 123.4° |
| C13 | N14 | C15 | C16 | 71.1° | 52.5° |
| N14 | C13 | C25 | C24 | 8.4° | 50.4° |
| N14 | C13 | C12 | H121 | 144.7° | 65.0° |
| N14 | C13 | C12 | H122 | 26.3° | 175.0° |
| C13 | N14 | C15 | H151 | 48.1° | 67.7° |
| C13 | N14 | C15 | H152 | 169.8° | 172.8° |
| N14 | C13 | C25 | H251 | 111.7° | 69.8° |
| N14 | C13 | C25 | H252 | 128.5° | 170.6° |
| C25 | C13 | N14 | C15 | 56.4° | 71.3° |
| C13 | C25 | C24 | C16 | 19.4° | 17.0° |
| C13 | C25 | C24 | C23 | 163.6° | 163.3° |
| C13 | C25 | C24 | H251 | 120.1° | 120.1° |
| C13 | C25 | C24 | H252 | 120.1° | 120.1° |
| C25 | C13 | C12 | H121 | 93.0° | 54.0° |
| C25 | C13 | C12 | H122 | 148.7° | 66.0° |
| C25 | C13 | N14 | H141 | 177.3° | 165.4° |
| C13 | C25 | H251 | H252 | 119.7° | 119.7° |
| N14 | C15 | C16 | H151 | 119.1° | 120.2° |
| N14 | C15 | C16 | H152 | 119.1° | 120.3° |
| N14 | C15 | C16 | C17 | 139.8° | 162.5° |
| N14 | C15 | C16 | C24 | 38.0° | 17.6° |
| C15 | N14 | C13 | H131 | 63.8° | 48.6° |
| N14 | C15 | H151 | H152 | 122.5° | 119.5° |
| C15 | C16 | C17 | C24 | 177.8° | 180.0° |
| C15 | C16 | C17 | C18 | 178.5° | 179.8° |
| C15 | C16 | C24 | C23 | 179.3° | 179.8° |
| C15 | C16 | C24 | C25 | 3.8° | 0.5° |
| C16 | C15 | N14 | H141 | 168.0° | 175.9° |
| C16 | C15 | H151 | H152 | 122.5° | 119.5° |
| C15 | C16 | C17 | H171 | 1.5° | 0.1° |
| C16 | C17 | C18 | H171 | 180.0° | 180.0° |
| C16 | C17 | C18 | N19 | 177.8° | 180.0° |
| C16 | C17 | C18 | C22 | 0.8° | 0.0° |
| C17 | C16 | C24 | C23 | 1.5° | 0.2° |
| C17 | C16 | C24 | C25 | 178.4° | 179.5° |
| C17 | C16 | C15 | H151 | 101.0° | 77.3° |
| C17 | C16 | C15 | H152 | 20.7° | 42.1° |
| C24 | C16 | C17 | C18 | 0.7° | 0.1° |
| C16 | C24 | C23 | C22 | 0.9° | 0.1° |
| C16 | C24 | C23 | C25 | 177.0° | 179.7° |
| C24 | C16 | C15 | H151 | 81.2° | 102.7° |
| C24 | C16 | C15 | H152 | 157.1° | 137.9° |
| C24 | C16 | C17 | H171 | 179.3° | 179.9° |
| C16 | C24 | C23 | H231 | 179.1° | 179.8° |
| C16 | C24 | C25 | H251 | 139.5° | 103.1° |
| C16 | C24 | C25 | H252 | 100.7° | 137.1° |
| C17 | C18 | N19 | C22 | 177.2° | 180.0° |
| C17 | C18 | N19 | O20 | 166.4° | 0.0° |
| C17 | C18 | N19 | O21 | 17.2° | 180.0° |
| C17 | C18 | C22 | C23 | 1.4° | 0.1° |
| C17 | C18 | C22 | H221 | 178.6° | 179.9° |
| C18 | N19 | O20 | O21 | 176.0° | 179.9° |
| N19 | C18 | C22 | C23 | 178.5° | 179.9° |
| N19 | C18 | C17 | H171 | 2.2° | 0.1° |
| N19 | C18 | C22 | H221 | 1.5° | 0.1° |
| C22 | C18 | N19 | O20 | 16.3° | 180.0° |
| C22 | C18 | N19 | O21 | 160.1° | 0.0° |
| C18 | C22 | C23 | H221 | 180.0° | 180.0° |
| C18 | C22 | C23 | C24 | 0.6° | 0.1° |
| C22 | C18 | C17 | H171 | 179.2° | 179.9° |
| C18 | C22 | C23 | H231 | 179.4° | 180.0° |
| C22 | C23 | C24 | H231 | 180.0° | 179.9° |
| C22 | C23 | C24 | C25 | 177.9° | 179.6° |
| C24 | C23 | C22 | H221 | 179.4° | 179.9° |
| C23 | C24 | C25 | H251 | 43.5° | 76.5° |
| C23 | C24 | C25 | H252 | 76.3° | 43.2° |
| C24 | C25 | C13 | H131 | 113.3° | 69.3° |
| C25 | C24 | C23 | H231 | 2.1° | 0.5° |
| C24 | C25 | H251 | H252 | 119.7° | 119.8° |
| N26 | C27 | C28 | N35 | 178.5° | 180.0° |
| N26 | C27 | C28 | N29 | 0.8° | 0.0° |
| N26 | C27 | C28 | C31 | 179.5° | 180.0° |
| C27 | N26 | C30 | N29 | 1.0° | 0.4° |
| N26 | C27 | N35 | C34 | 179.0° | 180.0° |
| C27 | N26 | C04 | H041 | 38.9° | 36.1° |
| C27 | N26 | C30 | H301 | 179.0° | 179.7° |
| C30 | N26 | C27 | C28 | 0.1° | 0.2° |
| C30 | N26 | C27 | N35 | 178.0° | 179.8° |
| N26 | C30 | N29 | C28 | 1.4° | 0.5° |
| N26 | C30 | N29 | H301 | 180.0° | 179.9° |
| C30 | N26 | C04 | H041 | 143.5° | 143.6° |
| C27 | C28 | N29 | C31 | 178.4° | 180.0° |
| C27 | C28 | N29 | C30 | 1.3° | 0.3° |
| C27 | C28 | C31 | N32 | 180.0° | 179.9° |
| C27 | C28 | C31 | N33 | 1.0° | 0.0° |
| C28 | C27 | N35 | C34 | 3.0° | 0.0° |
| N35 | C27 | C28 | N29 | 179.3° | 180.0° |
| N35 | C27 | C28 | C31 | 2.0° | 0.0° |
| C27 | N35 | C34 | N33 | 3.0° | 0.0° |
| C27 | N35 | C34 | H341 | 177.0° | 180.0° |
| N29 | C28 | C31 | N32 | 1.7° | 0.0° |
| N29 | C28 | C31 | N33 | 179.3° | 179.9° |
| C28 | N29 | C30 | H301 | 178.6° | 179.7° |
| C31 | C28 | N29 | C30 | 179.8° | 179.8° |
| C28 | C31 | N32 | N33 | 179.0° | 179.9° |
| C28 | C31 | N33 | C34 | 1.0° | 0.0° |
| C28 | C31 | N32 | H321 | 179.0° | 0.0° |
| C28 | C31 | N32 | H322 | 59.0° | 180.0° |
| N32 | C31 | N33 | C34 | 180.0° | 180.0° |
| C31 | N32 | H321 | H322 | 120.0° | 179.9° |
| C31 | N33 | C34 | N35 | 2.0° | 0.0° |
| N33 | C31 | N32 | H321 | 0.0° | 180.0° |
| N33 | C31 | N32 | H322 | 120.0° | 0.1° |
| C31 | N33 | C34 | H341 | 178.0° | 180.0° |
| N33 | C34 | N35 | H341 | 180.0° | 180.0° |
| H011 | O01 | C02 | H021 | 58.6° | 62.1° |
| H021 | C02 | C03 | H031 | 42.3° | 20.4° |
| H021 | C02 | C06 | H061 | 42.6° | 36.7° |
| H031 | C03 | C04 | H041 | 161.1° | 119.9° |
| H031 | C03 | O36 | H361 | 55.6° | 61.2° |
| H061 | C06 | C07 | H071 | 41.9° | 177.0° |
| H061 | C06 | C07 | H072 | 160.0° | 63.0° |
| H091 | C09 | C10 | H101 | 170.8° | 179.9° |
| H091 | C09 | C10 | H102 | 69.3° | 60.0° |
| H092 | C09 | C10 | H101 | 51.7° | 60.0° |
| H092 | C09 | C10 | H102 | 171.6° | 180.0° |
| H101 | C10 | N11 | H111 | 144.1° | 176.0° |
| H102 | C10 | N11 | H111 | 24.2° | 64.0° |
| H111 | N11 | C12 | H121 | 101.4° | 176.0° |
| H111 | N11 | C12 | H122 | 16.9° | 63.9° |
| H121 | C12 | C13 | H131 | 24.4° | 174.6° |
| H122 | C12 | C13 | H131 | 94.0° | 54.7° |
| H131 | C13 | N14 | H141 | 57.1° | 74.8° |
| H131 | C13 | C25 | H251 | 126.6° | 170.5° |
| H131 | C13 | C25 | H252 | 6.8° | 50.8° |
| H141 | N14 | C15 | H151 | 72.8° | 55.7° |
| H141 | N14 | C15 | H152 | 48.9° | 63.8° |
| H221 | C22 | C23 | H231 | 0.6° | 0.1° |
