BUL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C2 | sing | 1.43Å | 1.43Å | |
| O1 | C6 | sing | 1.43Å | 1.37Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | O20 | sing | 1.43Å | 1.42Å | |
| C2 | H2 | sing | 1.09Å | 1.12Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | N16 | sing | 1.46Å | 1.45Å | |
| C3 | H3 | sing | 1.09Å | 1.11Å | |
| C4 | C5 | sing | 1.53Å | 1.56Å | |
| C4 | O15 | sing | 1.43Å | 1.43Å | |
| C4 | H4 | sing | 1.09Å | 1.12Å | |
| C5 | C6 | sing | 1.53Å | 1.46Å | |
| C5 | O14 | sing | 1.43Å | 1.43Å | |
| C5 | H5 | sing | 1.09Å | 1.11Å | |
| C6 | C12 | sing | 1.53Å | 1.50Å | |
| C6 | H6 | sing | 1.09Å | 1.11Å | |
| N7 | C8 | sing | 1.48Å | 1.55Å | |
| N7 | C11 | sing | 1.48Å | 1.55Å | |
| N7 | H7 | sing | 1.01Å | 1.02Å | |
| C8 | C9 | sing | 1.55Å | 1.53Å | |
| C8 | C23 | sing | 1.51Å | 1.54Å | |
| C8 | H8 | sing | 1.09Å | 1.11Å | |
| C9 | C10 | sing | 1.55Å | 1.57Å | |
| C9 | H91 | sing | 1.09Å | 1.11Å | |
| C9 | H92 | sing | 1.09Å | 1.11Å | |
| C10 | C11 | sing | 1.54Å | 1.57Å | |
| C10 | O20 | sing | 1.43Å | 1.39Å | |
| C10 | H10 | sing | 1.09Å | 1.11Å | |
| C11 | C21 | sing | 1.53Å | 1.55Å | |
| C11 | H11 | sing | 1.09Å | 1.11Å | |
| C12 | O13 | sing | 1.43Å | 1.46Å | |
| C12 | H121 | sing | 1.09Å | 1.11Å | |
| C12 | H122 | sing | 1.09Å | 1.11Å | |
| O13 | H13 | sing | 0.97Å | 0.95Å | |
| O14 | S32 | sing | 1.52Å | 1.51Å | |
| O15 | H15 | sing | 0.97Å | 0.95Å | |
| N16 | C17 | sing | 1.35Å | 1.35Å | |
| N16 | H16 | sing | 0.97Å | 1.02Å | |
| C17 | O18 | doub | 1.21Å | 1.22Å | |
| C17 | C19 | sing | 1.51Å | 1.51Å | |
| C19 | H191 | sing | 1.09Å | 1.12Å | |
| C19 | H192 | sing | 1.09Å | 1.12Å | |
| C19 | H193 | sing | 1.09Å | 1.11Å | |
| C21 | O22 | sing | 1.43Å | 1.41Å | |
| C21 | H211 | sing | 1.09Å | 1.12Å | |
| C21 | H212 | sing | 1.09Å | 1.12Å | |
| O22 | H22 | sing | 0.97Å | 0.95Å | |
| C23 | O24 | doub | 1.21Å | 1.24Å | |
| C23 | N25 | sing | 1.35Å | 1.37Å | |
| N25 | C26 | sing | 1.46Å | 1.51Å | |
| N25 | H25 | sing | 0.97Å | 1.02Å | |
| C26 | C27 | sing | 1.53Å | 1.51Å | |
| C26 | H261 | sing | 1.09Å | 1.12Å | |
| C26 | H262 | sing | 1.09Å | 1.12Å | |
| C27 | S28 | sing | 1.81Å | 1.84Å | |
| C27 | H271 | sing | 1.09Å | 1.11Å | |
| C27 | H272 | sing | 1.09Å | 1.11Å | |
| S28 | O29 | doub | 1.42Å | 1.45Å | |
| S28 | O30 | doub | 1.42Å | 1.44Å | |
| S28 | O31 | sing | 1.52Å | 1.43Å | |
| O31 | H31 | sing | 0.97Å | 0.95Å | |
| S32 | O33 | doub | 1.42Å | 1.44Å | |
| S32 | O34 | doub | 1.42Å | 1.44Å | |
| S32 | O35 | sing | 1.52Å | 1.43Å | |
| O35 | H35 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | O1 | C6 | 116.6° | 107.7° |
| O1 | C2 | C3 | 108.5° | 109.8° |
| O1 | C2 | O20 | 102.3° | 109.4° |
| O1 | C2 | H2 | 113.2° | 109.4° |
| O1 | C6 | C5 | 121.5° | 109.8° |
| O1 | C6 | C12 | 115.8° | 109.4° |
| O1 | C6 | H6 | 100.7° | 109.4° |
| C3 | C2 | O20 | 104.9° | 109.5° |
| C3 | C2 | H2 | 110.8° | 109.3° |
| C2 | C3 | C4 | 110.1° | 109.1° |
| C2 | C3 | N16 | 110.1° | 109.5° |
| C2 | C3 | H3 | 111.2° | 109.5° |
| O20 | C2 | H2 | 116.3° | 109.4° |
| C2 | O20 | C10 | 112.8° | 106.8° |
| C4 | C3 | N16 | 115.9° | 109.6° |
| C4 | C3 | H3 | 104.7° | 109.5° |
| C3 | C4 | C5 | 111.6° | 108.6° |
| C3 | C4 | O15 | 91.6° | 109.6° |
| C3 | C4 | H4 | 116.9° | 109.6° |
| N16 | C3 | H3 | 104.7° | 109.5° |
| C3 | N16 | C17 | 125.6° | 120.0° |
| C3 | N16 | H16 | 121.2° | 120.0° |
| C5 | C4 | O15 | 102.3° | 109.8° |
| C5 | C4 | H4 | 108.3° | 109.7° |
| C4 | C5 | C6 | 114.8° | 109.0° |
| C4 | C5 | O14 | 97.0° | 109.5° |
| C4 | C5 | H5 | 118.3° | 109.6° |
| O15 | C4 | H4 | 124.6° | 109.6° |
| C4 | O15 | H15 | 91.7° | 106.8° |
| C6 | C5 | O14 | 119.4° | 109.6° |
| C6 | C5 | H5 | 95.4° | 109.5° |
| C5 | C6 | C12 | 121.1° | 109.4° |
| C5 | C6 | H6 | 80.5° | 109.4° |
| O14 | C5 | H5 | 113.6° | 109.6° |
| C5 | O14 | S32 | 117.1° | 106.8° |
| C12 | C6 | H6 | 102.3° | 109.4° |
| C6 | C12 | O13 | 108.9° | 109.5° |
| C6 | C12 | H121 | 112.4° | 109.5° |
| C6 | C12 | H122 | 112.4° | 109.5° |
| C8 | N7 | C11 | 108.7° | 108.6° |
| C8 | N7 | H7 | 112.6° | 106.7° |
| N7 | C8 | C9 | 106.1° | 104.8° |
| N7 | C8 | C23 | 109.3° | 110.5° |
| N7 | C8 | H8 | 111.0° | 110.3° |
| C11 | N7 | H7 | 112.5° | 106.5° |
| N7 | C11 | C10 | 99.0° | 107.0° |
| N7 | C11 | C21 | 106.7° | 109.9° |
| N7 | C11 | H11 | 119.9° | 109.9° |
| C9 | C8 | C23 | 107.0° | 110.4° |
| C9 | C8 | H8 | 113.2° | 110.4° |
| C8 | C9 | C10 | 95.7° | 101.7° |
| C8 | C9 | H91 | 117.6° | 110.9° |
| C8 | C9 | H92 | 117.6° | 111.0° |
| C23 | C8 | H8 | 110.2° | 110.4° |
| C8 | C23 | O24 | 105.9° | 120.0° |
| C8 | C23 | N25 | 109.1° | 120.0° |
| C10 | C9 | H91 | 117.6° | 111.0° |
| C10 | C9 | H92 | 117.6° | 111.0° |
| C9 | C10 | C11 | 108.8° | 103.2° |
| C9 | C10 | O20 | 120.1° | 110.7° |
| C9 | C10 | H10 | 101.6° | 110.7° |
| H91 | C9 | H92 | 92.8° | 110.9° |
| C11 | C10 | O20 | 107.0° | 110.7° |
| C11 | C10 | H10 | 116.0° | 110.7° |
| C10 | C11 | C21 | 115.7° | 110.3° |
| C10 | C11 | H11 | 111.6° | 109.7° |
| O20 | C10 | H10 | 103.6° | 110.6° |
| C21 | C11 | H11 | 104.4° | 109.9° |
| C11 | C21 | O22 | 113.2° | 109.4° |
| C11 | C21 | H211 | 110.9° | 109.5° |
| C11 | C21 | H212 | 110.9° | 109.5° |
| O13 | C12 | H121 | 112.4° | 109.4° |
| O13 | C12 | H122 | 112.4° | 109.5° |
| C12 | O13 | H13 | 108.9° | 106.8° |
| H121 | C12 | H122 | 98.1° | 109.5° |
| O14 | S32 | O33 | 107.7° | 105.8° |
| O14 | S32 | O34 | 107.8° | 105.7° |
| O14 | S32 | O35 | 107.9° | 107.4° |
| C17 | N16 | H16 | 113.2° | 120.0° |
| N16 | C17 | O18 | 124.5° | 120.0° |
| N16 | C17 | C19 | 113.6° | 120.0° |
| O18 | C17 | C19 | 120.9° | 120.0° |
| C17 | C19 | H191 | 113.6° | 109.5° |
| C17 | C19 | H192 | 110.7° | 109.4° |
| C17 | C19 | H193 | 110.7° | 109.5° |
| H191 | C19 | H192 | 110.6° | 109.5° |
| H191 | C19 | H193 | 110.7° | 109.5° |
| H192 | C19 | H193 | 99.6° | 109.5° |
| O22 | C21 | H211 | 110.8° | 109.5° |
| O22 | C21 | H212 | 110.8° | 109.5° |
| C21 | O22 | H22 | 113.2° | 106.8° |
| H211 | C21 | H212 | 99.4° | 109.6° |
| O24 | C23 | N25 | 128.0° | 120.0° |
| C23 | N25 | C26 | 120.7° | 120.0° |
| C23 | N25 | H25 | 114.6° | 120.0° |
| C26 | N25 | H25 | 124.7° | 120.1° |
| N25 | C26 | C27 | 109.2° | 109.5° |
| N25 | C26 | H261 | 112.3° | 109.5° |
| N25 | C26 | H262 | 112.3° | 109.5° |
| C27 | C26 | H261 | 112.3° | 109.5° |
| C27 | C26 | H262 | 112.3° | 109.4° |
| C26 | C27 | S28 | 113.8° | 109.5° |
| C26 | C27 | H271 | 110.6° | 109.5° |
| C26 | C27 | H272 | 110.6° | 109.5° |
| H261 | C26 | H262 | 98.1° | 109.5° |
| S28 | C27 | H271 | 110.7° | 109.5° |
| S28 | C27 | H272 | 110.7° | 109.4° |
| C27 | S28 | O29 | 99.8° | 111.6° |
| C27 | S28 | O30 | 102.8° | 111.6° |
| C27 | S28 | O31 | 103.0° | 103.2° |
| H271 | C27 | H272 | 99.7° | 109.5° |
| O29 | S28 | O30 | 131.8° | 122.1° |
| O29 | S28 | O31 | 111.6° | 102.8° |
| O30 | S28 | O31 | 104.0° | 102.8° |
| S28 | O31 | H31 | 103.0° | 106.9° |
| O33 | S32 | O34 | 132.5° | 125.3° |
| O33 | S32 | O35 | 110.8° | 105.8° |
| O34 | S32 | O35 | 86.8° | 105.8° |
| S32 | O35 | H35 | 107.9° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C2 | C3 | O20 | 108.8° | 120.1° |
| O1 | C2 | C3 | H2 | 124.9° | 120.0° |
| O1 | C2 | O20 | H2 | 123.9° | 119.8° |
| O1 | C2 | C3 | C4 | 62.7° | 61.1° |
| O1 | C2 | C3 | N16 | 168.4° | 179.0° |
| O1 | C2 | C3 | H3 | 52.9° | 58.8° |
| C2 | O1 | C6 | C5 | 37.5° | 67.5° |
| C2 | O1 | C6 | C12 | 157.1° | 172.4° |
| C2 | O1 | C6 | H6 | 47.8° | 52.5° |
| O1 | C2 | O20 | C10 | 91.4° | 60.0° |
| C6 | O1 | C2 | C3 | 56.1° | 67.5° |
| C6 | O1 | C2 | O20 | 166.7° | 172.3° |
| C6 | O1 | C2 | H2 | 67.4° | 52.5° |
| O1 | C6 | C5 | C4 | 23.0° | 61.3° |
| O1 | C6 | C5 | C12 | 164.6° | 120.1° |
| O1 | C6 | C5 | H6 | 96.7° | 120.1° |
| O1 | C6 | C5 | O14 | 137.5° | 178.9° |
| O1 | C6 | C5 | H5 | 101.5° | 58.7° |
| O1 | C6 | C12 | H6 | 108.4° | 119.9° |
| O1 | C6 | C12 | O13 | 54.9° | 59.7° |
| O1 | C6 | C12 | H121 | 179.8° | 179.7° |
| O1 | C6 | C12 | H122 | 70.4° | 60.3° |
| C3 | C2 | O20 | H2 | 122.9° | 119.8° |
| C2 | C3 | C4 | N16 | 125.7° | 119.9° |
| C2 | C3 | C4 | H3 | 119.6° | 119.9° |
| C2 | C3 | N16 | H3 | 119.6° | 120.2° |
| C2 | C3 | C4 | C5 | 49.9° | 53.7° |
| C2 | C3 | C4 | O15 | 153.8° | 173.6° |
| C2 | C3 | C4 | H4 | 75.5° | 66.1° |
| C3 | C2 | O20 | C10 | 155.4° | 179.7° |
| C2 | C3 | N16 | C17 | 107.8° | 90.2° |
| C2 | C3 | N16 | H16 | 72.2° | 89.9° |
| O20 | C2 | C3 | C4 | 171.4° | 178.8° |
| O20 | C2 | C3 | N16 | 59.6° | 58.8° |
| O20 | C2 | C3 | H3 | 55.9° | 61.3° |
| C2 | O20 | C10 | C9 | 91.0° | 93.8° |
| C2 | O20 | C10 | C11 | 144.5° | 152.4° |
| C2 | O20 | C10 | H10 | 21.3° | 29.3° |
| H2 | C2 | C3 | C4 | 62.2° | 58.9° |
| H2 | C2 | C3 | N16 | 66.7° | 61.0° |
| H2 | C2 | C3 | H3 | 177.8° | 178.8° |
| H2 | C2 | O20 | C10 | 32.5° | 59.9° |
| C4 | C3 | N16 | H3 | 114.7° | 120.2° |
| C3 | C4 | C5 | O15 | 96.8° | 119.8° |
| C3 | C4 | C5 | H4 | 130.0° | 119.7° |
| C3 | C4 | O15 | H4 | 124.7° | 120.3° |
| C3 | C4 | C5 | C6 | 29.7° | 53.7° |
| C3 | C4 | C5 | O14 | 156.7° | 173.7° |
| C3 | C4 | C5 | H5 | 81.7° | 66.1° |
| C3 | C4 | O15 | H15 | 179.9° | 180.0° |
| C4 | C3 | N16 | C17 | 126.5° | 150.1° |
| C4 | C3 | N16 | H16 | 53.5° | 29.8° |
| N16 | C3 | C4 | C5 | 175.6° | 173.6° |
| N16 | C3 | C4 | O15 | 80.4° | 66.5° |
| N16 | C3 | C4 | H4 | 50.2° | 53.8° |
| C3 | N16 | C17 | H16 | 180.0° | 179.9° |
| C3 | N16 | C17 | O18 | 1.9° | 0.1° |
| C3 | N16 | C17 | C19 | 170.6° | 180.0° |
| H3 | C3 | C4 | C5 | 69.7° | 66.2° |
| H3 | C3 | C4 | O15 | 34.3° | 53.7° |
| H3 | C3 | C4 | H4 | 164.9° | 174.0° |
| H3 | C3 | N16 | C17 | 11.8° | 30.0° |
| H3 | C3 | N16 | H16 | 168.2° | 150.0° |
| C5 | C4 | O15 | H4 | 122.7° | 120.5° |
| C4 | C5 | C6 | O14 | 114.5° | 119.8° |
| C4 | C5 | C6 | H5 | 124.6° | 119.9° |
| C4 | C5 | O14 | H5 | 125.1° | 120.2° |
| C4 | C5 | C6 | C12 | 172.3° | 178.7° |
| C4 | C5 | C6 | H6 | 73.7° | 58.8° |
| C4 | C5 | O14 | S32 | 117.3° | 110.5° |
| C5 | C4 | O15 | H15 | 67.5° | 60.8° |
| O15 | C4 | C5 | C6 | 126.5° | 173.5° |
| O15 | C4 | C5 | O14 | 106.5° | 66.5° |
| O15 | C4 | C5 | H5 | 15.1° | 53.7° |
| H4 | C4 | C5 | C6 | 100.3° | 66.0° |
| H4 | C4 | C5 | O14 | 26.6° | 53.9° |
| H4 | C4 | C5 | H5 | 148.2° | 174.1° |
| H4 | C4 | O15 | H15 | 55.3° | 59.7° |
| C6 | C5 | O14 | H5 | 111.3° | 120.2° |
| C5 | C6 | C12 | H6 | 86.1° | 119.8° |
| C5 | C6 | C12 | O13 | 139.6° | 180.0° |
| C5 | C6 | C12 | H121 | 14.4° | 60.0° |
| C5 | C6 | C12 | H122 | 95.1° | 60.0° |
| C6 | C5 | O14 | S32 | 119.0° | 129.9° |
| O14 | C5 | C6 | C12 | 57.9° | 58.8° |
| O14 | C5 | C6 | H6 | 40.8° | 61.0° |
| C5 | O14 | S32 | O33 | 132.2° | 175.6° |
| C5 | O14 | S32 | O34 | 79.9° | 40.9° |
| C5 | O14 | S32 | O35 | 12.5° | 71.7° |
| H5 | C5 | C6 | C12 | 63.1° | 61.4° |
| H5 | C5 | C6 | H6 | 161.7° | 178.7° |
| H5 | C5 | O14 | S32 | 7.7° | 9.7° |
| C6 | C12 | O13 | H121 | 125.2° | 120.0° |
| C6 | C12 | O13 | H122 | 125.2° | 120.0° |
| C6 | C12 | H121 | H122 | 118.3° | 120.0° |
| C6 | C12 | O13 | H13 | 180.0° | 180.0° |
| H6 | C6 | C12 | O13 | 53.5° | 60.2° |
| H6 | C6 | C12 | H121 | 71.8° | 59.8° |
| H6 | C6 | C12 | H122 | 178.8° | 179.8° |
| C8 | N7 | C11 | H7 | 125.3° | 114.6° |
| N7 | C8 | C9 | C23 | 116.6° | 118.9° |
| N7 | C8 | C9 | H8 | 121.9° | 118.8° |
| N7 | C8 | C23 | H8 | 122.2° | 122.3° |
| N7 | C8 | C9 | C10 | 41.2° | 37.1° |
| N7 | C8 | C9 | H91 | 84.1° | 155.1° |
| N7 | C8 | C9 | H92 | 166.4° | 81.0° |
| C8 | N7 | C11 | C10 | 4.1° | 1.3° |
| C8 | N7 | C11 | C21 | 124.5° | 118.6° |
| C8 | N7 | C11 | H11 | 117.3° | 120.4° |
| N7 | C8 | C23 | O24 | 46.9° | 25.4° |
| N7 | C8 | C23 | N25 | 172.2° | 154.5° |
| C11 | N7 | C8 | C9 | 24.9° | 24.2° |
| C11 | N7 | C8 | C23 | 139.9° | 143.1° |
| C11 | N7 | C8 | H8 | 98.4° | 94.6° |
| N7 | C11 | C10 | C9 | 31.9° | 22.1° |
| N7 | C11 | C10 | C21 | 113.5° | 119.6° |
| N7 | C11 | C10 | H11 | 127.3° | 119.2° |
| N7 | C11 | C10 | O20 | 163.0° | 140.6° |
| N7 | C11 | C10 | H10 | 81.9° | 96.5° |
| N7 | C11 | C21 | H11 | 127.9° | 121.1° |
| N7 | C11 | C21 | O22 | 52.4° | 61.5° |
| N7 | C11 | C21 | H211 | 72.9° | 178.6° |
| N7 | C11 | C21 | H212 | 177.7° | 58.5° |
| H7 | N7 | C8 | C9 | 100.4° | 138.7° |
| H7 | N7 | C8 | C23 | 14.6° | 102.4° |
| H7 | N7 | C8 | H8 | 136.3° | 19.9° |
| H7 | N7 | C11 | C10 | 129.4° | 115.9° |
| H7 | N7 | C11 | C21 | 110.2° | 3.9° |
| H7 | N7 | C11 | H11 | 8.0° | 125.0° |
| C9 | C8 | C23 | H8 | 123.4° | 122.3° |
| C8 | C9 | C10 | H91 | 125.2° | 118.0° |
| C8 | C9 | C10 | H92 | 125.2° | 118.1° |
| C8 | C9 | H91 | H92 | 123.2° | 123.8° |
| C8 | C9 | C10 | C11 | 46.2° | 35.6° |
| C8 | C9 | C10 | O20 | 169.8° | 154.1° |
| C8 | C9 | C10 | H10 | 76.8° | 82.9° |
| C9 | C8 | C23 | O24 | 161.3° | 90.1° |
| C9 | C8 | C23 | N25 | 57.8° | 90.0° |
| C23 | C8 | C9 | C10 | 157.7° | 156.0° |
| C23 | C8 | C9 | H91 | 32.5° | 85.9° |
| C23 | C8 | C9 | H92 | 77.0° | 37.9° |
| C8 | C23 | O24 | N25 | 130.9° | 179.9° |
| C8 | C23 | N25 | C26 | 141.9° | 180.0° |
| C8 | C23 | N25 | H25 | 38.1° | 0.0° |
| H8 | C8 | C9 | C10 | 80.7° | 81.7° |
| H8 | C8 | C9 | H91 | 154.0° | 36.4° |
| H8 | C8 | C9 | H92 | 44.5° | 160.2° |
| H8 | C8 | C23 | O24 | 75.3° | 147.6° |
| H8 | C8 | C23 | N25 | 65.6° | 32.3° |
| C10 | C9 | H91 | H92 | 123.2° | 123.9° |
| C9 | C10 | C11 | O20 | 131.2° | 118.5° |
| C9 | C10 | C11 | H10 | 113.8° | 118.5° |
| C9 | C10 | O20 | H10 | 112.3° | 123.1° |
| C9 | C10 | C11 | C21 | 145.4° | 141.6° |
| C9 | C10 | C11 | H11 | 95.4° | 97.2° |
| H91 | C9 | C10 | C11 | 79.1° | 153.6° |
| H91 | C9 | C10 | O20 | 44.6° | 87.9° |
| H91 | C9 | C10 | H10 | 158.0° | 35.1° |
| H92 | C9 | C10 | C11 | 171.4° | 82.5° |
| H92 | C9 | C10 | O20 | 64.9° | 36.0° |
| H92 | C9 | C10 | H10 | 48.5° | 159.0° |
| C11 | C10 | O20 | H10 | 123.1° | 123.0° |
| C10 | C11 | C21 | H11 | 123.0° | 121.1° |
| C10 | C11 | C21 | O22 | 56.6° | 179.2° |
| C10 | C11 | C21 | H211 | 178.1° | 60.8° |
| C10 | C11 | C21 | H212 | 68.7° | 59.3° |
| O20 | C10 | C11 | C21 | 83.4° | 99.9° |
| O20 | C10 | C11 | H11 | 35.8° | 21.4° |
| H10 | C10 | C11 | C21 | 31.6° | 23.1° |
| H10 | C10 | C11 | H11 | 150.8° | 144.3° |
| C11 | C21 | O22 | H211 | 125.3° | 120.0° |
| C11 | C21 | O22 | H212 | 125.3° | 119.9° |
| C11 | C21 | H211 | H212 | 116.7° | 120.0° |
| C11 | C21 | O22 | H22 | 180.0° | 180.0° |
| H11 | C11 | C21 | O22 | 179.7° | 59.6° |
| H11 | C11 | C21 | H211 | 55.1° | 60.3° |
| H11 | C11 | C21 | H212 | 54.4° | 179.6° |
| O13 | C12 | H121 | H122 | 118.4° | 120.0° |
| H121 | C12 | O13 | H13 | 54.7° | 60.1° |
| H122 | C12 | O13 | H13 | 54.8° | 59.9° |
| O14 | S32 | O33 | O34 | 136.7° | 123.1° |
| O14 | S32 | O33 | O35 | 117.8° | 113.8° |
| O14 | S32 | O34 | O35 | 107.8° | 113.8° |
| O14 | S32 | O35 | H35 | 179.9° | 180.0° |
| N16 | C17 | O18 | C19 | 167.9° | 179.9° |
| N16 | C17 | C19 | H191 | 180.0° | 180.0° |
| N16 | C17 | C19 | H192 | 54.8° | 60.0° |
| N16 | C17 | C19 | H193 | 54.8° | 59.9° |
| H16 | N16 | C17 | O18 | 178.1° | 180.0° |
| H16 | N16 | C17 | C19 | 9.4° | 0.1° |
| O18 | C17 | C19 | H191 | 10.9° | 0.1° |
| O18 | C17 | C19 | H192 | 136.1° | 120.1° |
| O18 | C17 | C19 | H193 | 114.4° | 120.0° |
| C17 | C19 | H191 | H192 | 125.2° | 119.9° |
| C17 | C19 | H191 | H193 | 125.3° | 120.0° |
| C17 | C19 | H192 | H193 | 116.6° | 120.0° |
| H191 | C19 | H192 | H193 | 116.5° | 120.1° |
| O22 | C21 | H211 | H212 | 116.7° | 120.0° |
| H211 | C21 | O22 | H22 | 54.7° | 60.1° |
| H212 | C21 | O22 | H22 | 54.7° | 60.0° |
| O24 | C23 | N25 | C26 | 12.2° | 0.1° |
| O24 | C23 | N25 | H25 | 167.8° | 179.9° |
| C23 | N25 | C26 | H25 | 180.0° | 180.0° |
| C23 | N25 | C26 | C27 | 148.8° | 180.0° |
| C23 | N25 | C26 | H261 | 23.6° | 60.0° |
| C23 | N25 | C26 | H262 | 85.9° | 60.0° |
| N25 | C26 | C27 | H261 | 125.2° | 120.0° |
| N25 | C26 | C27 | H262 | 125.3° | 120.0° |
| N25 | C26 | H261 | H262 | 118.2° | 120.0° |
| N25 | C26 | C27 | S28 | 139.4° | 180.0° |
| N25 | C26 | C27 | H271 | 95.3° | 60.0° |
| N25 | C26 | C27 | H272 | 14.1° | 60.0° |
| H25 | N25 | C26 | C27 | 31.2° | 0.0° |
| H25 | N25 | C26 | H261 | 156.5° | 120.0° |
| H25 | N25 | C26 | H262 | 94.1° | 119.9° |
| C27 | C26 | H261 | H262 | 118.3° | 120.0° |
| C26 | C27 | S28 | H271 | 125.3° | 120.0° |
| C26 | C27 | S28 | H272 | 125.2° | 120.0° |
| C26 | C27 | H271 | H272 | 116.4° | 120.0° |
| C26 | C27 | S28 | O29 | 82.6° | 70.2° |
| C26 | C27 | S28 | O30 | 140.2° | 70.3° |
| C26 | C27 | S28 | O31 | 32.4° | 180.0° |
| H261 | C26 | C27 | S28 | 14.2° | 60.0° |
| H261 | C26 | C27 | H271 | 139.4° | NaN° |
| H261 | C26 | C27 | H272 | 111.1° | 60.0° |
| H262 | C26 | C27 | S28 | 95.3° | 60.0° |
| H262 | C26 | C27 | H271 | 30.0° | 60.0° |
| H262 | C26 | C27 | H272 | 139.4° | 180.0° |
| S28 | C27 | H271 | H272 | 116.5° | 120.0° |
| C27 | S28 | O29 | O30 | 117.1° | 135.8° |
| C27 | S28 | O29 | O31 | 108.3° | 110.0° |
| C27 | S28 | O30 | O31 | 107.1° | 110.0° |
| C27 | S28 | O31 | H31 | 180.0° | 180.0° |
| H271 | C27 | S28 | O29 | 42.6° | 169.8° |
| H271 | C27 | S28 | O30 | 94.6° | 49.7° |
| H271 | C27 | S28 | O31 | 157.6° | 60.0° |
| H272 | C27 | S28 | O29 | 152.1° | 49.7° |
| H272 | C27 | S28 | O30 | 15.0° | 169.8° |
| H272 | C27 | S28 | O31 | 92.8° | 60.0° |
| O29 | S28 | O30 | O31 | 137.0° | 114.2° |
| O29 | S28 | O31 | H31 | 73.8° | 63.8° |
| O30 | S28 | O31 | H31 | 73.1° | 63.8° |
| O33 | S32 | O34 | O35 | 115.5° | 123.1° |
| O33 | S32 | O35 | H35 | 62.4° | 67.4° |
| O34 | S32 | O35 | H35 | 72.3° | 67.4° |
