ACC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N2 | sing | 1.35Å | 1.34Å | |
| C1 | C3 | sing | 1.51Å | 1.52Å | |
| C1 | O6 | doub | 1.21Å | 1.21Å | |
| N2 | C4 | sing | 1.46Å | 1.44Å | |
| N2 | H2 | sing | 0.97Å | 1.02Å | |
| C3 | N7 | sing | 1.47Å | 1.45Å | |
| C3 | C35 | sing | 1.53Å | 1.52Å | |
| C3 | H3 | sing | 1.09Å | 1.11Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | C23 | sing | 1.51Å | 1.52Å | |
| C4 | H4 | sing | 1.09Å | 1.12Å | |
| C5 | S41 | sing | 1.81Å | 1.79Å | |
| C5 | H52 | sing | 1.09Å | 1.11Å | |
| C5 | H51 | sing | 1.09Å | 1.12Å | |
| N7 | C8 | sing | 1.35Å | 1.32Å | |
| N7 | H7 | sing | 0.97Å | 1.02Å | |
| C8 | C9 | sing | 1.51Å | 1.52Å | |
| C8 | O27 | doub | 1.21Å | 1.23Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C9 | H92 | sing | 1.09Å | 1.12Å | |
| C9 | H91 | sing | 1.09Å | 1.11Å | |
| C10 | C13 | sing | 1.53Å | 1.54Å | |
| C10 | H102 | sing | 1.09Å | 1.11Å | |
| C10 | H101 | sing | 1.09Å | 1.12Å | |
| C13 | C16 | sing | 1.53Å | 1.53Å | |
| C13 | H132 | sing | 1.09Å | 1.12Å | |
| C13 | H131 | sing | 1.09Å | 1.11Å | |
| C16 | N19 | sing | 1.47Å | 1.49Å | |
| C16 | C20 | sing | 1.51Å | 1.52Å | |
| C16 | H16 | sing | 1.09Å | 1.12Å | |
| N19 | H193 | sing | 1.01Å | 1.02Å | |
| N19 | H192 | sing | 1.01Å | 1.02Å | |
| N19 | H191 | sing | 1.01Å | 1.02Å | |
| C20 | O21 | sing | 1.34Å | 1.20Å | |
| C20 | O22 | doub | 1.21Å | 1.33Å | |
| O21 | H21 | sing | 0.97Å | 0.95Å | |
| C23 | O25 | sing | 1.34Å | 1.34Å | |
| C23 | O26 | doub | 1.21Å | 1.20Å | |
| O25 | H25 | sing | 0.97Å | 0.95Å | |
| C35 | S37 | sing | 1.81Å | 1.83Å | |
| C35 | H352 | sing | 1.09Å | 1.12Å | |
| C35 | H351 | sing | 1.09Å | 1.11Å | |
| S37 | H37 | sing | 1.34Å | 0.95Å | |
| S41 | C42 | sing | 1.81Å | 1.79Å | |
| C42 | H423 | sing | 1.09Å | 1.11Å | |
| C42 | H422 | sing | 1.09Å | 1.12Å | |
| C42 | H421 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C1 | C3 | 114.5° | 120.0° |
| N2 | C1 | O6 | 122.1° | 120.0° |
| C1 | N2 | C4 | 121.6° | 120.0° |
| C1 | N2 | H2 | 115.7° | 120.0° |
| C3 | C1 | O6 | 122.5° | 120.0° |
| C1 | C3 | N7 | 110.9° | 109.5° |
| C1 | C3 | C35 | 109.4° | 109.5° |
| C1 | C3 | H3 | 107.5° | 109.5° |
| C4 | N2 | H2 | 122.6° | 120.0° |
| N2 | C4 | C5 | 111.0° | 109.5° |
| N2 | C4 | C23 | 114.0° | 109.5° |
| N2 | C4 | H4 | 105.1° | 109.5° |
| N7 | C3 | C35 | 106.1° | 109.5° |
| N7 | C3 | H3 | 110.7° | 109.5° |
| C3 | N7 | C8 | 123.9° | 120.0° |
| C3 | N7 | H7 | 123.1° | 120.0° |
| C35 | C3 | H3 | 112.2° | 109.4° |
| C3 | C35 | S37 | 113.7° | 109.5° |
| C3 | C35 | H352 | 110.7° | 109.5° |
| C3 | C35 | H351 | 110.7° | 109.4° |
| C5 | C4 | C23 | 108.7° | 109.5° |
| C5 | C4 | H4 | 110.6° | 109.5° |
| C4 | C5 | S41 | 113.9° | 109.5° |
| C4 | C5 | H52 | 110.6° | 109.5° |
| C4 | C5 | H51 | 110.6° | 109.4° |
| C23 | C4 | H4 | 107.4° | 109.4° |
| C4 | C23 | O25 | 113.6° | 120.0° |
| C4 | C23 | O26 | 125.3° | 120.0° |
| S41 | C5 | H52 | 110.6° | 109.5° |
| S41 | C5 | H51 | 110.6° | 109.5° |
| C5 | S41 | C42 | 98.4° | 100.0° |
| H52 | C5 | H51 | 99.6° | 109.5° |
| C8 | N7 | H7 | 113.0° | 120.0° |
| N7 | C8 | C9 | 115.0° | 120.0° |
| N7 | C8 | O27 | 122.9° | 120.0° |
| C9 | C8 | O27 | 122.1° | 120.0° |
| C8 | C9 | C10 | 110.6° | 109.5° |
| C8 | C9 | H92 | 111.7° | 109.4° |
| C8 | C9 | H91 | 111.8° | 109.4° |
| C10 | C9 | H92 | 111.8° | 109.5° |
| C10 | C9 | H91 | 111.8° | 109.5° |
| C9 | C10 | C13 | 109.8° | 109.5° |
| C9 | C10 | H102 | 112.1° | 109.5° |
| C9 | C10 | H101 | 112.1° | 109.5° |
| H92 | C9 | H91 | 98.6° | 109.5° |
| C13 | C10 | H102 | 112.1° | 109.4° |
| C13 | C10 | H101 | 112.1° | 109.5° |
| C10 | C13 | C16 | 112.8° | 109.5° |
| C10 | C13 | H132 | 111.0° | 109.4° |
| C10 | C13 | H131 | 111.0° | 109.5° |
| H102 | C10 | H101 | 98.3° | 109.5° |
| C16 | C13 | H132 | 111.0° | 109.5° |
| C16 | C13 | H131 | 111.0° | 109.5° |
| C13 | C16 | N19 | 108.2° | 109.5° |
| C13 | C16 | C20 | 111.2° | 109.5° |
| C13 | C16 | H16 | 107.8° | 109.5° |
| H132 | C13 | H131 | 99.4° | 109.4° |
| N19 | C16 | C20 | 105.0° | 109.4° |
| N19 | C16 | H16 | 113.8° | 109.4° |
| C16 | N19 | H193 | 108.1° | 109.4° |
| C16 | N19 | H192 | 112.7° | 109.5° |
| C16 | N19 | H191 | 112.7° | 109.4° |
| C20 | C16 | H16 | 110.9° | 109.5° |
| C16 | C20 | O21 | 125.2° | 120.0° |
| C16 | C20 | O22 | 112.1° | 120.0° |
| H193 | N19 | H192 | 112.7° | 109.4° |
| H193 | N19 | H191 | 112.7° | 109.5° |
| H192 | N19 | H191 | 97.8° | 109.5° |
| O21 | C20 | O22 | 122.6° | 120.0° |
| C20 | O21 | H21 | 125.2° | 120.0° |
| O25 | C23 | O26 | 120.9° | 120.0° |
| C23 | O25 | H25 | 113.6° | 120.0° |
| S37 | C35 | H352 | 110.6° | 109.5° |
| S37 | C35 | H351 | 110.6° | 109.5° |
| C35 | S37 | H37 | 113.7° | 100.0° |
| H352 | C35 | H351 | 99.7° | 109.5° |
| S41 | C42 | H423 | 98.4° | 109.4° |
| S41 | C42 | H422 | 116.6° | 109.4° |
| S41 | C42 | H421 | 116.6° | 109.5° |
| H423 | C42 | H422 | 116.4° | 109.5° |
| H423 | C42 | H421 | 116.5° | 109.5° |
| H422 | C42 | H421 | 93.8° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C1 | C3 | O6 | 169.8° | 180.0° |
| C1 | N2 | C4 | H2 | 180.0° | 180.0° |
| N2 | C1 | C3 | N7 | 172.3° | 180.0° |
| N2 | C1 | C3 | C35 | 55.5° | 60.0° |
| N2 | C1 | C3 | H3 | 66.5° | 60.0° |
| C1 | N2 | C4 | C5 | 84.4° | 155.0° |
| C1 | N2 | C4 | C23 | 152.4° | 85.0° |
| C1 | N2 | C4 | H4 | 35.1° | 35.0° |
| C3 | C1 | N2 | C4 | 155.7° | 180.0° |
| C3 | C1 | N2 | H2 | 24.3° | 0.0° |
| C1 | C3 | N7 | C35 | 118.7° | 120.0° |
| C1 | C3 | N7 | H3 | 119.3° | 120.1° |
| C1 | C3 | C35 | H3 | 119.2° | 120.0° |
| C1 | C3 | N7 | C8 | 113.8° | 155.0° |
| C1 | C3 | N7 | H7 | 66.1° | 24.9° |
| C1 | C3 | C35 | S37 | 59.9° | 180.0° |
| C1 | C3 | C35 | H352 | 65.3° | 60.0° |
| C1 | C3 | C35 | H351 | 174.8° | 60.0° |
| O6 | C1 | N2 | C4 | 14.2° | 0.0° |
| O6 | C1 | N2 | H2 | 165.8° | 180.0° |
| O6 | C1 | C3 | N7 | 2.5° | 0.0° |
| O6 | C1 | C3 | C35 | 114.3° | 120.0° |
| O6 | C1 | C3 | H3 | 123.7° | 120.0° |
| N2 | C4 | C5 | C23 | 126.1° | 120.0° |
| N2 | C4 | C5 | H4 | 116.2° | 120.0° |
| N2 | C4 | C23 | H4 | 115.9° | 120.0° |
| N2 | C4 | C5 | S41 | 55.3° | 65.0° |
| N2 | C4 | C5 | H52 | 70.0° | 175.0° |
| N2 | C4 | C5 | H51 | 179.4° | 55.0° |
| N2 | C4 | C23 | O25 | 5.9° | 180.0° |
| N2 | C4 | C23 | O26 | 170.6° | 0.1° |
| H2 | N2 | C4 | C5 | 95.6° | 25.0° |
| H2 | N2 | C4 | C23 | 27.6° | 95.0° |
| H2 | N2 | C4 | H4 | 144.9° | 145.0° |
| N7 | C3 | C35 | H3 | 121.0° | 119.9° |
| C3 | N7 | C8 | H7 | 180.0° | 179.9° |
| C3 | N7 | C8 | C9 | 178.8° | 180.0° |
| C3 | N7 | C8 | O27 | 0.4° | 0.0° |
| N7 | C3 | C35 | S37 | 59.8° | 60.0° |
| N7 | C3 | C35 | H352 | 175.0° | 180.0° |
| N7 | C3 | C35 | H351 | 65.4° | 60.0° |
| C35 | C3 | N7 | C8 | 127.4° | 85.0° |
| C35 | C3 | N7 | H7 | 52.6° | 95.1° |
| C3 | C35 | S37 | H352 | 125.2° | 120.0° |
| C3 | C35 | S37 | H351 | 125.3° | 119.9° |
| C3 | C35 | H352 | H351 | 116.5° | 120.0° |
| C3 | C35 | S37 | H37 | 180.0° | 180.0° |
| H3 | C3 | N7 | C8 | 5.5° | 34.9° |
| H3 | C3 | N7 | H7 | 174.6° | 145.0° |
| H3 | C3 | C35 | S37 | 179.1° | 60.0° |
| H3 | C3 | C35 | H352 | 53.9° | 60.0° |
| H3 | C3 | C35 | H351 | 55.6° | 179.9° |
| C5 | C4 | C23 | H4 | 119.7° | 120.0° |
| C4 | C5 | S41 | H52 | 125.3° | 120.0° |
| C4 | C5 | S41 | H51 | 125.3° | 120.0° |
| C4 | C5 | H52 | H51 | 116.4° | 120.0° |
| C5 | C4 | C23 | O25 | 130.3° | 60.0° |
| C5 | C4 | C23 | O26 | 46.2° | 120.0° |
| C4 | C5 | S41 | C42 | 115.6° | 180.0° |
| C23 | C4 | C5 | S41 | 70.8° | 175.0° |
| C23 | C4 | C5 | H52 | 163.9° | 55.0° |
| C23 | C4 | C5 | H51 | 54.4° | 65.0° |
| C4 | C23 | O25 | O26 | 176.7° | 179.9° |
| C4 | C23 | O25 | H25 | 180.0° | 179.9° |
| H4 | C4 | C5 | S41 | 171.5° | 55.0° |
| H4 | C4 | C5 | H52 | 46.2° | 65.0° |
| H4 | C4 | C5 | H51 | 63.2° | 175.0° |
| H4 | C4 | C23 | O25 | 110.0° | 60.0° |
| H4 | C4 | C23 | O26 | 73.5° | 120.0° |
| S41 | C5 | H52 | H51 | 116.4° | 120.0° |
| C5 | S41 | C42 | H423 | 180.0° | 180.0° |
| C5 | S41 | C42 | H422 | 54.7° | 60.0° |
| C5 | S41 | C42 | H421 | 54.7° | 60.0° |
| H52 | C5 | S41 | C42 | 119.1° | 60.0° |
| H51 | C5 | S41 | C42 | 9.7° | 60.0° |
| N7 | C8 | C9 | O27 | 179.1° | 180.0° |
| N7 | C8 | C9 | C10 | 107.6° | 180.0° |
| N7 | C8 | C9 | H92 | 17.6° | 60.0° |
| N7 | C8 | C9 | H91 | 127.1° | 60.1° |
| H7 | N7 | C8 | C9 | 1.2° | 0.1° |
| H7 | N7 | C8 | O27 | 179.7° | 179.9° |
| C8 | C9 | C10 | H92 | 125.2° | 119.9° |
| C8 | C9 | C10 | H91 | 125.3° | 120.0° |
| C8 | C9 | H92 | H91 | 117.7° | 120.0° |
| C8 | C9 | C10 | C13 | 178.9° | 180.0° |
| C8 | C9 | C10 | H102 | 53.6° | 60.0° |
| C8 | C9 | C10 | H101 | 55.8° | 60.0° |
| O27 | C8 | C9 | C10 | 71.6° | 0.0° |
| O27 | C8 | C9 | H92 | 163.2° | 120.0° |
| O27 | C8 | C9 | H91 | 53.7° | 119.9° |
| C10 | C9 | H92 | H91 | 117.7° | 120.1° |
| C9 | C10 | C13 | H102 | 125.3° | 120.0° |
| C9 | C10 | C13 | H101 | 125.3° | 120.0° |
| C9 | C10 | H102 | H101 | 118.0° | 120.0° |
| C9 | C10 | C13 | C16 | 179.2° | 180.0° |
| C9 | C10 | C13 | H132 | 55.6° | 60.0° |
| C9 | C10 | C13 | H131 | 53.9° | 60.0° |
| H92 | C9 | C10 | C13 | 55.9° | 60.0° |
| H92 | C9 | C10 | H102 | 178.8° | 180.0° |
| H92 | C9 | C10 | H101 | 69.4° | 60.0° |
| H91 | C9 | C10 | C13 | 53.6° | 60.0° |
| H91 | C9 | C10 | H102 | 71.7° | 59.9° |
| H91 | C9 | C10 | H101 | 178.9° | 180.0° |
| C13 | C10 | H102 | H101 | 118.0° | 119.9° |
| C10 | C13 | C16 | H132 | 125.3° | 120.0° |
| C10 | C13 | C16 | H131 | 125.3° | 120.0° |
| C10 | C13 | H132 | H131 | 116.9° | 119.9° |
| C10 | C13 | C16 | N19 | 63.1° | 65.0° |
| C10 | C13 | C16 | C20 | 177.8° | 175.0° |
| C10 | C13 | C16 | H16 | 60.4° | 54.9° |
| H102 | C10 | C13 | C16 | 53.9° | 59.9° |
| H102 | C10 | C13 | H132 | 179.1° | 180.0° |
| H102 | C10 | C13 | H131 | 71.4° | 60.0° |
| H101 | C10 | C13 | C16 | 55.6° | 60.0° |
| H101 | C10 | C13 | H132 | 69.7° | 60.1° |
| H101 | C10 | C13 | H131 | 179.2° | 180.0° |
| C16 | C13 | H132 | H131 | 116.9° | 120.0° |
| C13 | C16 | N19 | C20 | 118.8° | 120.0° |
| C13 | C16 | N19 | H16 | 119.8° | 120.0° |
| C13 | C16 | C20 | H16 | 119.9° | 120.1° |
| C13 | C16 | N19 | H193 | 180.0° | 60.0° |
| C13 | C16 | N19 | H192 | 54.7° | 180.0° |
| C13 | C16 | N19 | H191 | 54.8° | 60.0° |
| C13 | C16 | C20 | O21 | 113.7° | 80.0° |
| C13 | C16 | C20 | O22 | 69.6° | 99.9° |
| H132 | C13 | C16 | N19 | 171.7° | 55.0° |
| H132 | C13 | C16 | C20 | 56.9° | 65.0° |
| H132 | C13 | C16 | H16 | 64.8° | 175.0° |
| H131 | C13 | C16 | N19 | 62.2° | 175.0° |
| H131 | C13 | C16 | C20 | 52.5° | 55.0° |
| H131 | C13 | C16 | H16 | 174.3° | 65.0° |
| N19 | C16 | C20 | H16 | 123.3° | 119.9° |
| C16 | N19 | H193 | H192 | 125.3° | 120.0° |
| C16 | N19 | H193 | H191 | 125.2° | 120.0° |
| C16 | N19 | H192 | H191 | 118.6° | 120.0° |
| N19 | C16 | C20 | O21 | 3.0° | 160.0° |
| N19 | C16 | C20 | O22 | 173.7° | 20.1° |
| C20 | C16 | N19 | H193 | 61.2° | 60.0° |
| C20 | C16 | N19 | H192 | 64.1° | 59.9° |
| C20 | C16 | N19 | H191 | 173.6° | 180.0° |
| C16 | C20 | O21 | O22 | 176.4° | 179.9° |
| C16 | C20 | O21 | H21 | 179.9° | 180.0° |
| H16 | C16 | N19 | H193 | 60.2° | 180.0° |
| H16 | C16 | N19 | H192 | 174.5° | 60.0° |
| H16 | C16 | N19 | H191 | 65.0° | 60.0° |
| H16 | C16 | C20 | O21 | 126.3° | 40.1° |
| H16 | C16 | C20 | O22 | 50.4° | 140.0° |
| H193 | N19 | H192 | H191 | 118.6° | 120.1° |
| O22 | C20 | O21 | H21 | 3.6° | 0.1° |
| O26 | C23 | O25 | H25 | 3.3° | 0.0° |
| S37 | C35 | H352 | H351 | 116.5° | 120.0° |
| H352 | C35 | S37 | H37 | 54.7° | 60.0° |
| H351 | C35 | S37 | H37 | 54.8° | 60.1° |
| S41 | C42 | H423 | H422 | 125.3° | 120.0° |
| S41 | C42 | H423 | H421 | 125.3° | 120.0° |
| S41 | C42 | H422 | H421 | 122.3° | 120.0° |
| H423 | C42 | H422 | H421 | 122.2° | 120.1° |
