JOI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O19 | C18 | doub | 1.21Å | 1.26Å | |
| C23 | C21 | sing | 1.53Å | 1.52Å | |
| C18 | C17 | sing | 1.51Å | 1.56Å | |
| C18 | O20 | sing | 1.34Å | 1.25Å | |
| C17 | C21 | sing | 1.53Å | 1.57Å | |
| C17 | C15 | sing | 1.53Å | 1.58Å | |
| C21 | O22 | sing | 1.43Å | 1.46Å | |
| C15 | N14 | sing | 1.47Å | 1.48Å | |
| C15 | C16 | sing | 1.55Å | 1.59Å | |
| N14 | C03 | doub | 1.27Å | 1.29Å | |
| C16 | C04 | sing | 1.55Å | 1.55Å | |
| O24 | C02 | doub | 1.21Å | 1.28Å | |
| C03 | C02 | sing | 1.48Å | 1.50Å | |
| C03 | C04 | sing | 1.51Å | 1.49Å | |
| C02 | O01 | sing | 1.35Å | 1.26Å | |
| C04 | S05 | sing | 1.81Å | 1.93Å | |
| C07 | C06 | sing | 1.55Å | 1.51Å | |
| C07 | C08 | sing | 1.55Å | 1.53Å | |
| C06 | C13 | sing | 1.54Å | 1.53Å | |
| C06 | S05 | sing | 1.81Å | 1.86Å | |
| C13 | N09 | sing | 1.47Å | 1.46Å | |
| C08 | N09 | sing | 1.47Å | 1.49Å | |
| N09 | C10 | sing | 1.37Å | 1.46Å | |
| C10 | N12 | doub | 1.29Å | 1.28Å | |
| C10 | C11 | sing | 1.51Å | 1.51Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H113 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H233 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| N12 | H121 | sing | 0.97Å | 1.00Å | |
| O01 | H4 | sing | 0.97Å | 0.95Å | |
| O20 | H5 | sing | 0.97Å | 0.95Å | |
| O22 | H221 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O19 | C18 | C17 | 117.6° | 120.0° |
| O19 | C18 | O20 | 123.2° | 120.0° |
| C23 | C21 | C17 | 109.3° | 109.5° |
| C23 | C21 | O22 | 107.7° | 109.5° |
| C23 | C21 | H211 | 110.2° | 109.5° |
| C21 | C23 | H231 | 109.5° | 109.4° |
| C21 | C23 | H233 | 109.4° | 109.5° |
| C21 | C23 | H232 | 109.5° | 109.4° |
| C17 | C18 | O20 | 119.1° | 120.0° |
| C18 | C17 | C21 | 108.9° | 109.5° |
| C18 | C17 | C15 | 107.2° | 109.4° |
| C18 | C17 | H171 | 109.0° | 109.5° |
| C18 | O20 | H5 | 109.5° | 117.0° |
| C21 | C17 | C15 | 114.1° | 109.5° |
| C17 | C21 | O22 | 108.9° | 109.5° |
| C21 | C17 | H171 | 108.8° | 109.5° |
| C17 | C21 | H211 | 109.6° | 109.5° |
| C17 | C15 | N14 | 113.0° | 110.3° |
| C17 | C15 | C16 | 117.6° | 110.7° |
| C17 | C15 | H151 | 106.5° | 110.3° |
| C15 | C17 | H171 | 108.7° | 109.4° |
| O22 | C21 | H211 | 111.1° | 109.4° |
| C21 | O22 | H221 | 109.5° | 113.9° |
| N14 | C15 | C16 | 105.2° | 105.1° |
| C15 | N14 | C03 | 109.8° | 112.5° |
| N14 | C15 | H151 | 107.7° | 110.3° |
| C15 | C16 | C04 | 104.0° | 100.8° |
| C16 | C15 | H151 | 106.4° | 109.9° |
| C15 | C16 | H162 | 110.8° | 111.1° |
| C15 | C16 | H161 | 110.8° | 111.2° |
| N14 | C03 | C02 | 121.4° | 124.4° |
| N14 | C03 | C04 | 116.2° | 111.2° |
| C16 | C04 | C03 | 101.6° | 103.8° |
| C16 | C04 | S05 | 110.0° | 110.6° |
| C16 | C04 | H041 | 111.9° | 110.7° |
| C04 | C16 | H162 | 110.8° | 111.0° |
| C04 | C16 | H161 | 110.8° | 111.3° |
| O24 | C02 | C03 | 110.5° | 120.0° |
| O24 | C02 | O01 | 128.6° | 120.0° |
| C02 | C03 | C04 | 119.2° | 124.4° |
| C03 | C02 | O01 | 120.9° | 120.0° |
| C03 | C04 | S05 | 113.2° | 110.6° |
| C03 | C04 | H041 | 112.8° | 110.6° |
| C02 | O01 | H4 | 109.5° | 117.0° |
| C04 | S05 | C06 | 108.3° | 103.0° |
| S05 | C04 | H041 | 107.4° | 110.5° |
| C06 | C07 | C08 | 104.5° | 101.6° |
| C07 | C06 | C13 | 104.4° | 102.9° |
| C07 | C06 | S05 | 109.1° | 110.7° |
| C07 | C06 | H061 | 112.4° | 110.9° |
| C06 | C07 | H072 | 110.7° | 111.0° |
| C06 | C07 | H071 | 110.7° | 110.9° |
| C07 | C08 | N09 | 103.2° | 104.9° |
| C08 | C07 | H072 | 110.7° | 111.1° |
| C08 | C07 | H071 | 110.7° | 111.0° |
| C07 | C08 | H082 | 111.0° | 110.3° |
| C07 | C08 | H081 | 111.0° | 110.4° |
| C13 | C06 | S05 | 110.7° | 110.7° |
| C06 | C13 | N09 | 105.1° | 107.3° |
| C13 | C06 | H061 | 112.1° | 110.7° |
| C06 | C13 | H132 | 110.5° | 109.9° |
| C06 | C13 | H131 | 110.5° | 109.8° |
| S05 | C06 | H061 | 108.1° | 110.7° |
| C13 | N09 | C08 | 111.3° | 108.7° |
| C13 | N09 | C10 | 126.4° | 125.7° |
| N09 | C13 | H132 | 110.6° | 109.9° |
| N09 | C13 | H131 | 110.6° | 109.9° |
| C08 | N09 | C10 | 122.2° | 125.6° |
| N09 | C08 | H082 | 111.0° | 110.4° |
| N09 | C08 | H081 | 111.0° | 110.4° |
| N09 | C10 | N12 | 121.1° | 120.0° |
| N09 | C10 | C11 | 112.0° | 120.0° |
| N12 | C10 | C11 | 127.0° | 120.0° |
| C10 | N12 | H121 | 112.0° | 120.0° |
| C10 | C11 | H112 | 109.5° | 109.5° |
| C10 | C11 | H111 | 109.5° | 109.5° |
| C10 | C11 | H113 | 109.5° | 109.4° |
| H072 | C07 | H071 | 109.5° | 110.9° |
| H082 | C08 | H081 | 109.5° | 110.4° |
| H112 | C11 | H111 | 109.4° | 109.5° |
| H112 | C11 | H113 | 109.5° | 109.5° |
| H111 | C11 | H113 | 109.5° | 109.5° |
| H132 | C13 | H131 | 109.5° | 110.0° |
| H162 | C16 | H161 | 109.5° | 111.0° |
| H231 | C23 | H233 | 109.4° | 109.5° |
| H231 | C23 | H232 | 109.5° | 109.5° |
| H233 | C23 | H232 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O19 | C18 | C17 | O20 | 177.3° | 180.0° |
| O19 | C18 | C17 | C21 | 109.4° | 36.8° |
| O19 | C18 | C17 | C15 | 126.7° | 83.2° |
| O19 | C18 | C17 | H171 | 9.3° | 156.8° |
| O19 | C18 | O20 | H5 | 0.0° | 0.0° |
| C23 | C21 | C17 | C18 | 77.7° | 60.0° |
| C23 | C21 | C17 | O22 | 117.4° | 120.0° |
| C23 | C21 | C17 | H211 | 120.8° | 120.0° |
| C23 | C21 | C17 | C15 | 162.5° | 180.0° |
| C23 | C21 | O22 | H211 | 120.8° | 120.0° |
| C23 | C21 | C17 | H171 | 41.0° | 60.0° |
| C21 | C23 | H231 | H233 | 120.0° | 120.0° |
| C21 | C23 | H231 | H232 | 120.0° | 120.0° |
| C21 | C23 | H233 | H232 | 120.0° | 120.0° |
| C23 | C21 | O22 | H221 | 180.0° | 60.0° |
| C18 | C17 | C21 | C15 | 119.7° | 120.0° |
| C18 | C17 | C21 | H171 | 118.7° | 120.0° |
| C18 | C17 | C15 | H171 | 117.7° | 120.0° |
| C18 | C17 | C21 | O22 | 164.8° | 180.0° |
| C18 | C17 | C15 | N14 | 163.4° | 56.5° |
| C18 | C17 | C15 | C16 | 73.7° | 172.4° |
| C18 | C17 | C15 | H151 | 45.4° | 65.7° |
| C18 | C17 | C21 | H211 | 43.1° | 60.0° |
| C17 | C18 | O20 | H5 | 177.1° | 180.0° |
| O20 | C18 | C17 | C21 | 73.3° | 143.2° |
| O20 | C18 | C17 | C15 | 50.5° | 96.8° |
| O20 | C18 | C17 | H171 | 168.0° | 23.1° |
| C21 | C17 | C15 | H171 | 121.6° | 120.0° |
| C17 | C21 | O22 | H211 | 120.8° | 120.0° |
| C21 | C17 | C15 | N14 | 75.9° | 176.5° |
| C21 | C17 | C15 | C16 | 47.0° | 67.6° |
| C21 | C17 | C15 | H151 | 166.1° | 54.3° |
| C17 | C21 | C23 | H231 | 180.0° | 60.0° |
| C17 | C21 | C23 | H233 | 60.0° | 180.0° |
| C17 | C21 | C23 | H232 | 60.0° | 60.0° |
| C17 | C21 | O22 | H221 | 61.6° | 60.0° |
| C15 | C17 | C21 | O22 | 45.1° | 60.0° |
| C17 | C15 | N14 | C16 | 129.5° | 119.3° |
| C17 | C15 | N14 | H151 | 117.3° | 122.2° |
| C17 | C15 | C16 | H151 | 119.1° | 122.1° |
| C17 | C15 | N14 | C03 | 128.6° | 135.1° |
| C17 | C15 | C16 | C04 | 136.8° | 142.9° |
| C17 | C15 | C16 | H162 | 104.1° | 25.2° |
| C17 | C15 | C16 | H161 | 17.6° | 99.0° |
| C15 | C17 | C21 | H211 | 76.6° | 60.0° |
| O22 | C21 | C17 | H171 | 76.4° | 60.0° |
| O22 | C21 | C23 | H231 | 61.8° | 60.0° |
| O22 | C21 | C23 | H233 | 178.2° | 60.0° |
| O22 | C21 | C23 | H232 | 58.2° | 180.0° |
| N14 | C15 | C16 | H151 | 114.1° | 118.7° |
| N14 | C15 | C16 | C04 | 10.0° | 23.7° |
| C15 | N14 | C03 | C02 | 172.5° | 179.9° |
| C15 | N14 | C03 | C04 | 12.9° | 0.3° |
| N14 | C15 | C16 | H162 | 129.1° | 94.0° |
| N14 | C15 | C16 | H161 | 109.2° | 141.9° |
| N14 | C15 | C17 | H171 | 45.7° | 63.5° |
| C16 | C15 | N14 | C03 | 1.0° | 15.8° |
| C15 | C16 | C04 | H162 | 119.1° | 117.8° |
| C15 | C16 | C04 | H161 | 119.1° | 118.0° |
| C15 | C16 | C04 | C03 | 15.7° | 23.5° |
| C15 | C16 | C04 | S05 | 104.4° | 95.1° |
| C15 | C16 | C04 | H041 | 136.3° | 142.2° |
| C15 | C16 | H162 | H161 | 122.6° | 124.3° |
| C16 | C15 | C17 | H171 | 168.6° | 52.4° |
| N14 | C03 | C04 | C16 | 18.8° | 16.2° |
| N14 | C03 | C02 | O24 | 24.1° | 176.0° |
| N14 | C03 | C02 | C04 | 159.0° | 179.7° |
| N14 | C03 | C02 | O01 | 154.2° | 3.8° |
| N14 | C03 | C04 | S05 | 99.0° | 102.4° |
| N14 | C03 | C04 | H041 | 138.7° | 134.9° |
| C03 | N14 | C15 | H151 | 114.1° | 102.7° |
| C16 | C04 | C03 | C02 | 178.8° | 164.1° |
| C16 | C04 | C03 | S05 | 117.8° | 118.6° |
| C16 | C04 | C03 | H041 | 119.9° | 118.7° |
| C16 | C04 | S05 | H041 | 122.0° | 122.9° |
| C16 | C04 | S05 | C06 | 48.7° | 74.0° |
| C04 | C16 | C15 | H151 | 104.1° | 95.0° |
| C04 | C16 | H162 | H161 | 122.5° | 124.4° |
| O24 | C02 | C03 | O01 | 178.3° | 179.8° |
| O24 | C02 | C03 | C04 | 176.9° | 3.8° |
| O24 | C02 | O01 | H4 | 0.0° | 0.2° |
| C02 | C03 | C04 | S05 | 61.0° | 77.4° |
| C02 | C03 | C04 | H041 | 61.3° | 45.3° |
| C03 | C02 | O01 | H4 | 178.0° | 180.0° |
| C04 | C03 | C02 | O01 | 4.7° | 176.5° |
| C03 | C04 | S05 | H041 | 125.2° | 122.7° |
| C03 | C04 | S05 | C06 | 64.1° | 171.6° |
| C03 | C04 | C16 | H162 | 134.9° | 94.3° |
| C03 | C04 | C16 | H161 | 103.4° | 141.5° |
| C04 | S05 | C06 | C07 | 100.8° | 73.4° |
| C04 | S05 | C06 | C13 | 144.9° | 173.1° |
| C04 | S05 | C06 | H061 | 21.8° | 49.9° |
| S05 | C04 | C16 | H162 | 14.8° | 147.1° |
| S05 | C04 | C16 | H161 | 136.5° | 23.0° |
| C06 | C07 | C08 | H072 | 119.2° | 118.1° |
| C06 | C07 | C08 | H071 | 119.2° | 118.0° |
| C07 | C06 | C13 | S05 | 117.3° | 118.4° |
| C07 | C06 | C13 | H061 | 122.0° | 118.5° |
| C07 | C06 | S05 | H061 | 122.6° | 123.3° |
| C07 | C06 | C13 | N09 | 25.5° | 22.2° |
| C06 | C07 | C08 | N09 | 29.6° | 37.0° |
| C06 | C07 | H072 | H071 | 122.2° | 123.9° |
| C06 | C07 | C08 | H082 | 148.6° | 81.9° |
| C06 | C07 | C08 | H081 | 89.3° | 155.9° |
| C07 | C06 | C13 | H132 | 144.8° | 97.3° |
| C07 | C06 | C13 | H131 | 93.8° | 141.6° |
| C08 | C07 | C06 | C13 | 34.3° | 35.5° |
| C08 | C07 | C06 | S05 | 84.0° | 153.8° |
| C07 | C08 | N09 | C13 | 14.1° | 24.1° |
| C07 | C08 | N09 | H082 | 119.0° | 118.8° |
| C07 | C08 | N09 | H081 | 119.0° | 118.9° |
| C07 | C08 | N09 | C10 | 168.7° | 155.8° |
| C08 | C07 | C06 | H061 | 156.1° | 83.0° |
| C08 | C07 | H072 | H071 | 122.3° | 123.9° |
| C07 | C08 | H082 | H081 | 122.9° | 122.3° |
| C13 | C06 | S05 | H061 | 123.1° | 123.2° |
| C06 | C13 | N09 | H132 | 119.3° | 119.5° |
| C06 | C13 | N09 | H131 | 119.3° | 119.4° |
| C06 | C13 | N09 | C08 | 6.9° | 1.0° |
| C06 | C13 | N09 | C10 | 170.2° | 178.9° |
| C13 | C06 | C07 | H072 | 84.9° | 153.6° |
| C13 | C06 | C07 | H071 | 153.5° | 82.5° |
| C06 | C13 | H132 | H131 | 122.0° | 121.0° |
| S05 | C06 | C13 | N09 | 91.8° | 140.5° |
| C06 | S05 | C04 | H041 | 170.7° | 48.9° |
| S05 | C06 | C07 | H072 | 156.7° | 88.0° |
| S05 | C06 | C07 | H071 | 35.2° | 35.8° |
| S05 | C06 | C13 | H132 | 27.6° | 21.1° |
| S05 | C06 | C13 | H131 | 148.9° | 100.1° |
| C13 | N09 | C08 | C10 | 177.2° | 180.0° |
| C13 | N09 | C10 | N12 | 2.5° | 0.1° |
| C13 | N09 | C10 | C11 | 178.4° | 180.0° |
| N09 | C13 | C06 | H061 | 147.5° | 96.3° |
| C13 | N09 | C08 | H082 | 133.1° | 94.7° |
| C13 | N09 | C08 | H081 | 104.9° | 143.0° |
| N09 | C13 | H132 | H131 | 122.0° | 121.1° |
| C08 | N09 | C10 | N12 | 179.3° | 180.0° |
| C08 | N09 | C10 | C11 | 1.6° | 0.1° |
| N09 | C08 | C07 | H072 | 89.6° | 155.1° |
| N09 | C08 | C07 | H071 | 148.8° | 81.0° |
| N09 | C08 | H082 | H081 | 122.9° | 122.3° |
| C08 | N09 | C13 | H132 | 126.2° | 120.5° |
| C08 | N09 | C13 | H131 | 112.4° | 118.3° |
| N09 | C10 | N12 | C11 | 179.0° | 179.9° |
| C10 | N09 | C08 | H082 | 49.7° | 85.3° |
| C10 | N09 | C08 | H081 | 72.3° | 36.9° |
| N09 | C10 | C11 | H112 | 180.0° | 180.0° |
| N09 | C10 | C11 | H111 | 60.0° | 60.0° |
| N09 | C10 | C11 | H113 | 60.0° | 60.0° |
| C10 | N09 | C13 | H132 | 50.9° | 59.5° |
| C10 | N09 | C13 | H131 | 70.5° | 61.7° |
| N09 | C10 | N12 | H121 | 178.9° | 180.0° |
| N12 | C10 | C11 | H112 | 0.9° | 0.1° |
| N12 | C10 | C11 | H111 | 119.0° | 120.0° |
| N12 | C10 | C11 | H113 | 121.0° | 120.1° |
| C10 | C11 | H112 | H111 | 120.0° | 120.0° |
| C10 | C11 | H112 | H113 | 120.0° | 120.0° |
| C10 | C11 | H111 | H113 | 120.0° | 120.0° |
| C11 | C10 | N12 | H121 | 0.0° | 0.1° |
| H041 | C04 | C16 | H162 | 104.5° | 24.3° |
| H041 | C04 | C16 | H161 | 17.2° | 99.8° |
| H061 | C06 | C07 | H072 | 36.8° | 35.2° |
| H061 | C06 | C07 | H071 | 84.7° | 159.0° |
| H061 | C06 | C13 | H132 | 93.2° | 144.2° |
| H061 | C06 | C13 | H131 | 28.2° | 23.1° |
| H072 | C07 | C08 | H082 | 29.5° | 36.3° |
| H072 | C07 | C08 | H081 | 151.5° | 86.0° |
| H071 | C07 | C08 | H082 | 92.2° | 160.1° |
| H071 | C07 | C08 | H081 | 29.9° | 37.9° |
| H112 | C11 | H111 | H113 | 120.0° | 120.0° |
| H151 | C15 | C16 | H162 | 15.0° | 147.3° |
| H151 | C15 | C16 | H161 | 136.8° | 23.1° |
| H151 | C15 | C17 | H171 | 72.3° | 174.3° |
| H171 | C17 | C21 | H211 | 161.8° | 180.0° |
| H211 | C21 | C23 | H231 | 59.5° | 180.0° |
| H211 | C21 | C23 | H233 | 60.4° | 60.0° |
| H211 | C21 | C23 | H232 | 179.6° | 60.0° |
| H211 | C21 | O22 | H221 | 59.2° | 180.0° |
| H231 | C23 | H233 | H232 | 120.0° | 120.0° |
