GHJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O02 | C03 | sing | 1.43Å | 1.51Å | |
| O02 | C01 | sing | 1.43Å | 1.55Å | |
| C03 | C04 | sing | 1.54Å | 1.35Å | |
| C19 | C17 | sing | 1.53Å | 1.55Å | |
| C01 | O42 | sing | 1.44Å | 1.45Å | |
| C01 | C05 | sing | 1.56Å | 1.31Å | |
| C04 | C05 | sing | 1.55Å | 1.58Å | |
| O42 | N41 | sing | 1.47Å | 1.33Å | |
| C05 | C06 | sing | 1.54Å | 1.36Å | |
| C17 | C16 | sing | 1.53Å | 1.57Å | |
| C17 | C18 | sing | 1.53Å | 1.57Å | |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| N41 | C06 | sing | 1.48Å | 1.37Å | |
| C06 | C07 | sing | 1.51Å | 1.55Å | |
| O21 | C20 | sing | 1.43Å | 1.38Å | |
| C07 | O40 | doub | 1.21Å | 1.18Å | |
| C07 | N08 | sing | 1.35Å | 1.48Å | |
| C15 | N14 | sing | 1.47Å | 1.46Å | |
| C15 | C20 | sing | 1.53Å | 1.51Å | |
| N14 | C13 | sing | 1.35Å | 1.50Å | |
| C20 | C22 | sing | 1.53Å | 1.56Å | |
| N08 | C09 | sing | 1.46Å | 1.44Å | |
| C13 | C09 | sing | 1.51Å | 1.53Å | |
| C13 | O39 | doub | 1.21Å | 1.18Å | |
| C09 | C10 | sing | 1.53Å | 1.50Å | |
| C22 | C23 | sing | 1.53Å | 1.54Å | |
| C23 | C24 | sing | 1.51Å | 1.54Å | |
| C23 | C38 | sing | 1.53Å | 1.50Å | |
| C36 | C34 | sing | 1.53Å | 1.53Å | |
| C10 | S11 | sing | 1.81Å | 1.82Å | |
| N25 | C24 | sing | 1.35Å | 1.48Å | |
| N25 | C26 | sing | 1.46Å | 1.41Å | |
| C24 | O37 | doub | 1.21Å | 1.20Å | |
| C35 | C34 | sing | 1.53Å | 1.55Å | |
| S11 | C12 | sing | 1.81Å | 1.81Å | |
| C34 | C26 | sing | 1.53Å | 1.55Å | |
| C26 | C27 | sing | 1.51Å | 1.54Å | |
| C27 | O33 | doub | 1.21Å | 1.19Å | |
| C27 | N28 | sing | 1.35Å | 1.46Å | |
| N28 | C29 | sing | 1.47Å | 1.49Å | |
| C31 | C30 | sing | 1.53Å | 1.54Å | |
| C29 | C30 | sing | 1.53Å | 1.51Å | |
| C30 | C32 | sing | 1.53Å | 1.57Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H123 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| N14 | H141 | sing | 0.97Å | 1.00Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H183 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C32 | H323 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C35 | H353 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C36 | H363 | sing | 1.09Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C38 | H383 | sing | 1.09Å | 1.10Å | |
| N41 | H1 | sing | 1.01Å | 1.00Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C06 | H2 | sing | 1.09Å | 1.10Å | |
| N08 | H081 | sing | 0.97Å | 1.00Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C19 | H193 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| O21 | H211 | sing | 0.97Å | 0.95Å | |
| N25 | H251 | sing | 0.97Å | 1.00Å | |
| N28 | H281 | sing | 0.97Å | 1.00Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H313 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C03 | O02 | C01 | 104.6° | 110.5° |
| O02 | C03 | C04 | 107.1° | 107.6° |
| O02 | C03 | H032 | 110.1° | 109.8° |
| O02 | C03 | H031 | 110.0° | 109.9° |
| O02 | C01 | O42 | 111.2° | 108.9° |
| O02 | C01 | C05 | 105.8° | 105.2° |
| O02 | C01 | H011 | 109.7° | 113.2° |
| C03 | C04 | C05 | 107.7° | 102.7° |
| C04 | C03 | H032 | 110.1° | 109.8° |
| C04 | C03 | H031 | 110.1° | 109.8° |
| C03 | C04 | H041 | 109.9° | 110.8° |
| C03 | C04 | H042 | 109.9° | 110.8° |
| C19 | C17 | C16 | 110.0° | 109.5° |
| C19 | C17 | C18 | 110.2° | 109.5° |
| C19 | C17 | H171 | 108.2° | 109.4° |
| C17 | C19 | H193 | 109.5° | 109.5° |
| C17 | C19 | H191 | 109.5° | 109.5° |
| C17 | C19 | H192 | 109.4° | 109.4° |
| O42 | C01 | C05 | 105.1° | 103.1° |
| C01 | O42 | N41 | 105.3° | 107.1° |
| O42 | C01 | H011 | 111.2° | 112.7° |
| C01 | C05 | C04 | 106.2° | 101.2° |
| C01 | C05 | C06 | 105.3° | 103.0° |
| C05 | C01 | H011 | 113.6° | 112.9° |
| C01 | C05 | H051 | 112.3° | 114.1° |
| C04 | C05 | C06 | 113.0° | 108.8° |
| C05 | C04 | H041 | 109.9° | 110.7° |
| C05 | C04 | H042 | 109.9° | 110.8° |
| C04 | C05 | H051 | 108.4° | 113.8° |
| O42 | N41 | C06 | 107.0° | 108.1° |
| O42 | N41 | H1 | 110.1° | 111.0° |
| C05 | C06 | N41 | 105.5° | 105.8° |
| C05 | C06 | C07 | 122.6° | 110.2° |
| C06 | C05 | H051 | 111.5° | 114.5° |
| C05 | C06 | H2 | 99.2° | 110.2° |
| C16 | C17 | C18 | 112.3° | 109.5° |
| C17 | C16 | C15 | 110.4° | 109.5° |
| C17 | C16 | H161 | 109.2° | 109.5° |
| C17 | C16 | H162 | 109.2° | 109.5° |
| C16 | C17 | H171 | 108.0° | 109.5° |
| C17 | C18 | H182 | 109.5° | 109.4° |
| C17 | C18 | H183 | 109.5° | 109.5° |
| C17 | C18 | H181 | 109.5° | 109.5° |
| C18 | C17 | H171 | 108.0° | 109.5° |
| C16 | C15 | N14 | 105.3° | 109.5° |
| C16 | C15 | C20 | 112.4° | 109.5° |
| C16 | C15 | H151 | 108.5° | 109.5° |
| C15 | C16 | H161 | 109.2° | 109.4° |
| C15 | C16 | H162 | 109.2° | 109.5° |
| N41 | C06 | C07 | 125.0° | 110.2° |
| C06 | N41 | H1 | 110.1° | 111.0° |
| N41 | C06 | H2 | 99.1° | 110.2° |
| C06 | C07 | O40 | 121.0° | 120.0° |
| C06 | C07 | N08 | 118.2° | 120.0° |
| C07 | C06 | H2 | 98.0° | 110.2° |
| O21 | C20 | C15 | 110.4° | 109.5° |
| O21 | C20 | C22 | 109.6° | 109.5° |
| O21 | C20 | H201 | 110.5° | 109.5° |
| C20 | O21 | H211 | 109.5° | 114.0° |
| O40 | C07 | N08 | 120.9° | 120.0° |
| C07 | N08 | C09 | 119.4° | 119.9° |
| C07 | N08 | H081 | 120.3° | 120.0° |
| N14 | C15 | C20 | 112.4° | 109.5° |
| C15 | N14 | C13 | 119.2° | 120.0° |
| C15 | N14 | H141 | 120.4° | 120.0° |
| N14 | C15 | H151 | 109.4° | 109.5° |
| C15 | C20 | C22 | 109.6° | 109.5° |
| C20 | C15 | H151 | 108.8° | 109.5° |
| C15 | C20 | H201 | 108.6° | 109.5° |
| N14 | C13 | C09 | 117.9° | 120.0° |
| N14 | C13 | O39 | 121.6° | 120.1° |
| C13 | N14 | H141 | 120.4° | 120.0° |
| C20 | C22 | C23 | 109.3° | 109.4° |
| C20 | C22 | H222 | 109.5° | 109.4° |
| C20 | C22 | H221 | 109.5° | 109.4° |
| C22 | C20 | H201 | 108.1° | 109.5° |
| N08 | C09 | C13 | 103.7° | 109.4° |
| N08 | C09 | C10 | 112.0° | 109.5° |
| C09 | N08 | H081 | 120.3° | 120.0° |
| N08 | C09 | H091 | 111.1° | 109.5° |
| C09 | C13 | O39 | 120.5° | 120.0° |
| C13 | C09 | C10 | 109.7° | 109.4° |
| C13 | C09 | H091 | 109.9° | 109.5° |
| C09 | C10 | S11 | 108.5° | 109.4° |
| C09 | C10 | H102 | 109.7° | 109.4° |
| C09 | C10 | H101 | 109.7° | 109.5° |
| C10 | C09 | H091 | 110.3° | 109.5° |
| C22 | C23 | C24 | 109.2° | 109.5° |
| C22 | C23 | C38 | 110.8° | 109.4° |
| C23 | C22 | H222 | 109.5° | 109.5° |
| C23 | C22 | H221 | 109.5° | 109.5° |
| C22 | C23 | H231 | 109.2° | 109.5° |
| C24 | C23 | C38 | 108.8° | 109.5° |
| C23 | C24 | N25 | 118.9° | 120.0° |
| C23 | C24 | O37 | 120.1° | 120.0° |
| C24 | C23 | H231 | 109.1° | 109.5° |
| C38 | C23 | H231 | 109.6° | 109.4° |
| C23 | C38 | H382 | 109.5° | 109.5° |
| C23 | C38 | H381 | 109.4° | 109.5° |
| C23 | C38 | H383 | 109.5° | 109.5° |
| C36 | C34 | C35 | 114.4° | 109.4° |
| C36 | C34 | C26 | 113.6° | 109.5° |
| C36 | C34 | H341 | 106.2° | 109.5° |
| C34 | C36 | H361 | 109.5° | 109.5° |
| C34 | C36 | H362 | 109.4° | 109.4° |
| C34 | C36 | H363 | 109.5° | 109.5° |
| C10 | S11 | C12 | 104.7° | 103.0° |
| S11 | C10 | H102 | 109.7° | 109.5° |
| S11 | C10 | H101 | 109.7° | 109.5° |
| C24 | N25 | C26 | 118.5° | 120.0° |
| N25 | C24 | O37 | 121.0° | 120.0° |
| C24 | N25 | H251 | 120.7° | 120.0° |
| N25 | C26 | C34 | 114.9° | 109.5° |
| N25 | C26 | C27 | 108.3° | 109.5° |
| N25 | C26 | H261 | 111.5° | 109.5° |
| C26 | N25 | H251 | 120.7° | 120.0° |
| C35 | C34 | C26 | 110.0° | 109.5° |
| C35 | C34 | H341 | 106.0° | 109.5° |
| C34 | C35 | H351 | 109.5° | 109.5° |
| C34 | C35 | H352 | 109.5° | 109.5° |
| C34 | C35 | H353 | 109.5° | 109.5° |
| S11 | C12 | H121 | 109.5° | 109.5° |
| S11 | C12 | H123 | 109.5° | 109.5° |
| S11 | C12 | H122 | 109.5° | 109.5° |
| C34 | C26 | C27 | 102.7° | 109.5° |
| C34 | C26 | H261 | 109.4° | 109.4° |
| C26 | C34 | H341 | 106.0° | 109.5° |
| C26 | C27 | O33 | 120.4° | 120.0° |
| C26 | C27 | N28 | 117.6° | 120.0° |
| C27 | C26 | H261 | 109.6° | 109.5° |
| O33 | C27 | N28 | 122.0° | 120.0° |
| C27 | N28 | C29 | 120.9° | 120.0° |
| C27 | N28 | H281 | 119.6° | 120.0° |
| N28 | C29 | C30 | 107.6° | 109.4° |
| N28 | C29 | H292 | 109.9° | 109.5° |
| N28 | C29 | H291 | 109.9° | 109.5° |
| C29 | N28 | H281 | 119.6° | 120.1° |
| C31 | C30 | C29 | 110.3° | 109.5° |
| C31 | C30 | C32 | 111.8° | 109.5° |
| C31 | C30 | H301 | 107.7° | 109.5° |
| C30 | C31 | H312 | 109.5° | 109.5° |
| C30 | C31 | H311 | 109.4° | 109.4° |
| C30 | C31 | H313 | 109.5° | 109.5° |
| C29 | C30 | C32 | 111.5° | 109.5° |
| C30 | C29 | H292 | 110.0° | 109.5° |
| C30 | C29 | H291 | 110.0° | 109.4° |
| C29 | C30 | H301 | 108.1° | 109.4° |
| C30 | C32 | H323 | 109.5° | 109.4° |
| C30 | C32 | H322 | 109.5° | 109.4° |
| C30 | C32 | H321 | 109.4° | 109.5° |
| C32 | C30 | H301 | 107.4° | 109.5° |
| H102 | C10 | H101 | 109.5° | 109.5° |
| H121 | C12 | H123 | 109.4° | 109.5° |
| H121 | C12 | H122 | 109.5° | 109.5° |
| H123 | C12 | H122 | 109.5° | 109.5° |
| H161 | C16 | H162 | 109.5° | 109.5° |
| H182 | C18 | H183 | 109.5° | 109.4° |
| H182 | C18 | H181 | 109.5° | 109.5° |
| H183 | C18 | H181 | 109.5° | 109.5° |
| H222 | C22 | H221 | 109.5° | 109.5° |
| H292 | C29 | H291 | 109.5° | 109.5° |
| H323 | C32 | H322 | 109.4° | 109.5° |
| H323 | C32 | H321 | 109.5° | 109.5° |
| H322 | C32 | H321 | 109.5° | 109.5° |
| H351 | C35 | H352 | 109.5° | 109.4° |
| H351 | C35 | H353 | 109.5° | 109.5° |
| H352 | C35 | H353 | 109.4° | 109.4° |
| H361 | C36 | H362 | 109.5° | 109.5° |
| H361 | C36 | H363 | 109.5° | 109.5° |
| H362 | C36 | H363 | 109.5° | 109.4° |
| H382 | C38 | H381 | 109.5° | 109.5° |
| H382 | C38 | H383 | 109.4° | 109.5° |
| H381 | C38 | H383 | 109.5° | 109.4° |
| H032 | C03 | H031 | 109.5° | 109.9° |
| H041 | C04 | H042 | 109.5° | 110.8° |
| H193 | C19 | H191 | 109.5° | 109.5° |
| H193 | C19 | H192 | 109.4° | 109.5° |
| H191 | C19 | H192 | 109.5° | 109.5° |
| H312 | C31 | H311 | 109.5° | 109.4° |
| H312 | C31 | H313 | 109.4° | 109.5° |
| H311 | C31 | H313 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O02 | C03 | C04 | H032 | 119.6° | 119.5° |
| O02 | C03 | C04 | H031 | 119.6° | 119.5° |
| C03 | O02 | C01 | O42 | 90.0° | 87.7° |
| C03 | O02 | C01 | C05 | 23.6° | 22.3° |
| O02 | C03 | C04 | C05 | 10.1° | 21.3° |
| C03 | O02 | C01 | H011 | 146.5° | 146.1° |
| O02 | C03 | H032 | H031 | 121.1° | 121.0° |
| O02 | C03 | C04 | H041 | 109.6° | 139.5° |
| O02 | C03 | C04 | H042 | 129.8° | 97.0° |
| C01 | O02 | C03 | C04 | 6.4° | 0.6° |
| O02 | C01 | O42 | C05 | 114.0° | 111.4° |
| O02 | C01 | O42 | H011 | 122.6° | 126.5° |
| O02 | C01 | C05 | H011 | 120.4° | 124.0° |
| O02 | C01 | C05 | C04 | 29.1° | 34.3° |
| O02 | C01 | O42 | N41 | 130.8° | 147.3° |
| O02 | C01 | C05 | C06 | 149.3° | 146.9° |
| C01 | O02 | C03 | H032 | 113.3° | 120.1° |
| C01 | O02 | C03 | H031 | 126.0° | 118.9° |
| O02 | C01 | C05 | H051 | 89.2° | 88.4° |
| C03 | C04 | C05 | C01 | 26.5° | 32.8° |
| C03 | C04 | C05 | H041 | 119.7° | 118.3° |
| C03 | C04 | C05 | H042 | 119.7° | 118.3° |
| C03 | C04 | C05 | C06 | 141.5° | 140.9° |
| C04 | C03 | H032 | H031 | 121.1° | 120.9° |
| C03 | C04 | H041 | H042 | 120.8° | 123.4° |
| C03 | C04 | C05 | H051 | 94.4° | 90.1° |
| C19 | C17 | C16 | C18 | 123.2° | 120.0° |
| C19 | C17 | C16 | H171 | 117.9° | 120.0° |
| C19 | C17 | C18 | H171 | 118.0° | 120.0° |
| C19 | C17 | C16 | C15 | 171.5° | 174.3° |
| C19 | C17 | C16 | H161 | 68.4° | 54.3° |
| C19 | C17 | C16 | H162 | 51.4° | 65.7° |
| C19 | C17 | C18 | H182 | 180.0° | 177.9° |
| C19 | C17 | C18 | H183 | 60.0° | 58.0° |
| C19 | C17 | C18 | H181 | 60.0° | 62.0° |
| C17 | C19 | H193 | H191 | 120.0° | 120.0° |
| C17 | C19 | H193 | H192 | 120.0° | 120.0° |
| C17 | C19 | H191 | H192 | 120.0° | 120.0° |
| O42 | C01 | C05 | H011 | 121.8° | 121.9° |
| O42 | C01 | C05 | C04 | 88.6° | 79.8° |
| O42 | C01 | C05 | C06 | 31.6° | 32.8° |
| C01 | O42 | N41 | C06 | 4.7° | 25.2° |
| C01 | O42 | N41 | H1 | 124.4° | 96.8° |
| O42 | C01 | C05 | H051 | 153.1° | 157.6° |
| C01 | C05 | C04 | C06 | 115.0° | 108.1° |
| C01 | C05 | C04 | H051 | 120.9° | 122.9° |
| C05 | C01 | O42 | N41 | 16.7° | 35.8° |
| C01 | C05 | C06 | H051 | 122.0° | 124.5° |
| C01 | C05 | C06 | N41 | 35.1° | 17.9° |
| C01 | C05 | C06 | C07 | 172.8° | 137.0° |
| C01 | C05 | C04 | H041 | 93.2° | 151.1° |
| C01 | C05 | C04 | H042 | 146.2° | 85.5° |
| C01 | C05 | C06 | H2 | 67.1° | 101.1° |
| C04 | C05 | C06 | H051 | 122.4° | 128.6° |
| C04 | C05 | C06 | N41 | 80.5° | 88.9° |
| C04 | C05 | C06 | C07 | 71.6° | 30.2° |
| C04 | C05 | C01 | H011 | 149.6° | 158.3° |
| C05 | C04 | C03 | H032 | 129.8° | 98.2° |
| C05 | C04 | C03 | H031 | 109.5° | 140.8° |
| C05 | C04 | H041 | H042 | 120.8° | 123.3° |
| C04 | C05 | C06 | H2 | 177.4° | 152.0° |
| O42 | N41 | C06 | C05 | 24.0° | 3.1° |
| O42 | N41 | C06 | H1 | 119.6° | 121.9° |
| O42 | N41 | C06 | C07 | 175.2° | 116.0° |
| N41 | O42 | C01 | H011 | 106.6° | 86.2° |
| O42 | N41 | C06 | H2 | 78.3° | 122.1° |
| C05 | C06 | N41 | C07 | 151.2° | 119.1° |
| C05 | C06 | N41 | H2 | 102.3° | 119.0° |
| C05 | C06 | C07 | H2 | 106.4° | 121.8° |
| C05 | C06 | C07 | O40 | 91.7° | 97.8° |
| C05 | C06 | C07 | N08 | 87.7° | 82.2° |
| C05 | C06 | N41 | H1 | 143.6° | 118.8° |
| C06 | C05 | C01 | H011 | 90.3° | 89.1° |
| C06 | C05 | C04 | H041 | 21.8° | 100.8° |
| C06 | C05 | C04 | H042 | 98.8° | 22.6° |
| C16 | C17 | C18 | H171 | 118.9° | 120.0° |
| C17 | C16 | C15 | H161 | 120.1° | 120.0° |
| C17 | C16 | C15 | H162 | 120.1° | 120.0° |
| C17 | C16 | C15 | N14 | 64.5° | 175.7° |
| C17 | C16 | C15 | C20 | 172.9° | 64.3° |
| C17 | C16 | C15 | H151 | 52.6° | 55.7° |
| C17 | C16 | H161 | H162 | 119.6° | 120.0° |
| C16 | C17 | C18 | H182 | 56.9° | 57.9° |
| C16 | C17 | C18 | H183 | 176.9° | 62.0° |
| C16 | C17 | C18 | H181 | 63.1° | 178.0° |
| C16 | C17 | C19 | H193 | 180.0° | 60.0° |
| C16 | C17 | C19 | H191 | 60.0° | 180.0° |
| C16 | C17 | C19 | H192 | 60.0° | 60.0° |
| C18 | C17 | C16 | C15 | 65.3° | 65.7° |
| C18 | C17 | C16 | H161 | 54.8° | 174.3° |
| C18 | C17 | C16 | H162 | 174.5° | 54.3° |
| C17 | C18 | H182 | H183 | 120.0° | 120.0° |
| C17 | C18 | H182 | H181 | 120.0° | 120.0° |
| C17 | C18 | H183 | H181 | 120.0° | 120.0° |
| C18 | C17 | C19 | H193 | 55.6° | 180.0° |
| C18 | C17 | C19 | H191 | 175.6° | 60.0° |
| C18 | C17 | C19 | H192 | 64.4° | 60.0° |
| C16 | C15 | C20 | O21 | 51.6° | 60.0° |
| C16 | C15 | N14 | C20 | 122.6° | 120.0° |
| C16 | C15 | N14 | H151 | 116.5° | 120.0° |
| C16 | C15 | C20 | H151 | 120.2° | 120.0° |
| C16 | C15 | N14 | C13 | 140.2° | 86.1° |
| C16 | C15 | C20 | C22 | 172.5° | 180.0° |
| C16 | C15 | N14 | H141 | 39.9° | 93.9° |
| C15 | C16 | H161 | H162 | 119.6° | 120.0° |
| C15 | C16 | C17 | H171 | 53.6° | 54.3° |
| C16 | C15 | C20 | H201 | 69.6° | 60.0° |
| N41 | C06 | C07 | H2 | 107.1° | 121.8° |
| N41 | C06 | C07 | O40 | 121.8° | 18.6° |
| N41 | C06 | C07 | N08 | 58.9° | 161.4° |
| N41 | C06 | C05 | H051 | 157.1° | 142.4° |
| C06 | C07 | O40 | N08 | 179.4° | 180.0° |
| C06 | C07 | N08 | C09 | 177.9° | 180.0° |
| C07 | C06 | N41 | H1 | 65.2° | 122.1° |
| C07 | C06 | C05 | H051 | 50.8° | 98.5° |
| C06 | C07 | N08 | H081 | 2.2° | 0.0° |
| O21 | C20 | C15 | N14 | 66.9° | 60.0° |
| O21 | C20 | C15 | C22 | 120.9° | 120.0° |
| O21 | C20 | C15 | H201 | 121.3° | 120.0° |
| O21 | C20 | C22 | H201 | 120.4° | 120.0° |
| O21 | C20 | C22 | C23 | 79.8° | 64.8° |
| O21 | C20 | C15 | H151 | 171.8° | 180.0° |
| O21 | C20 | C22 | H222 | 40.2° | 175.1° |
| O21 | C20 | C22 | H221 | 160.2° | 55.2° |
| O40 | C07 | N08 | C09 | 1.5° | 0.0° |
| O40 | C07 | C06 | H2 | 14.7° | 140.4° |
| O40 | C07 | N08 | H081 | 178.5° | 180.0° |
| C07 | N08 | C09 | H081 | 180.0° | 180.0° |
| C07 | N08 | C09 | C13 | 144.7° | 155.0° |
| C07 | N08 | C09 | C10 | 97.1° | 85.0° |
| N08 | C07 | C06 | H2 | 165.9° | 39.6° |
| C07 | N08 | C09 | H091 | 26.7° | 35.0° |
| N14 | C15 | C20 | H151 | 121.3° | 120.0° |
| C15 | N14 | C13 | H141 | 180.0° | 180.0° |
| N14 | C15 | C20 | C22 | 54.0° | 60.0° |
| C15 | N14 | C13 | C09 | 178.4° | 174.9° |
| C15 | N14 | C13 | O39 | 1.2° | 5.1° |
| N14 | C15 | C16 | H161 | 175.4° | 64.3° |
| N14 | C15 | C16 | H162 | 55.6° | 55.7° |
| N14 | C15 | C20 | H201 | 171.9° | 180.0° |
| C20 | C15 | N14 | C13 | 97.3° | 153.9° |
| C15 | C20 | C22 | H201 | 118.2° | 120.0° |
| C15 | C20 | C22 | C23 | 158.8° | 175.2° |
| C20 | C15 | N14 | H141 | 82.7° | 26.1° |
| C20 | C15 | C16 | H161 | 52.8° | 55.7° |
| C20 | C15 | C16 | H162 | 66.9° | 175.7° |
| C15 | C20 | C22 | H222 | 81.2° | 55.2° |
| C15 | C20 | C22 | H221 | 38.8° | 64.8° |
| C15 | C20 | O21 | H211 | 180.0° | 60.0° |
| N14 | C13 | C09 | N08 | 60.4° | 180.0° |
| N14 | C13 | C09 | O39 | 179.6° | 180.0° |
| N14 | C13 | C09 | C10 | 179.9° | 60.0° |
| C13 | N14 | C15 | H151 | 23.7° | 33.9° |
| N14 | C13 | C09 | H091 | 58.5° | 60.0° |
| C20 | C22 | C23 | H222 | 120.0° | 120.0° |
| C20 | C22 | C23 | H221 | 120.0° | 120.0° |
| C20 | C22 | C23 | C24 | 93.7° | 66.3° |
| C20 | C22 | C23 | C38 | 146.4° | 173.7° |
| C22 | C20 | C15 | H151 | 67.3° | 60.0° |
| C20 | C22 | H222 | H221 | 120.1° | 120.0° |
| C20 | C22 | C23 | H231 | 25.5° | 53.7° |
| C22 | C20 | O21 | H211 | 59.1° | 60.0° |
| N08 | C09 | C13 | C10 | 119.7° | 120.0° |
| N08 | C09 | C13 | H091 | 118.9° | 120.0° |
| N08 | C09 | C13 | O39 | 119.2° | 0.0° |
| N08 | C09 | C10 | H091 | 124.3° | 120.1° |
| N08 | C09 | C10 | S11 | 75.2° | 60.0° |
| N08 | C09 | C10 | H102 | 44.6° | 180.0° |
| N08 | C09 | C10 | H101 | 164.9° | 59.9° |
| C13 | C09 | C10 | H091 | 121.2° | 120.0° |
| C13 | C09 | C10 | S11 | 170.3° | 180.0° |
| C13 | C09 | C10 | H102 | 69.9° | 60.0° |
| C13 | C09 | C10 | H101 | 50.4° | 60.0° |
| C09 | C13 | N14 | H141 | 1.6° | 5.1° |
| C13 | C09 | N08 | H081 | 35.3° | 25.0° |
| O39 | C13 | C09 | C10 | 0.5° | 120.0° |
| O39 | C13 | N14 | H141 | 178.8° | 174.9° |
| O39 | C13 | C09 | H091 | 121.9° | 120.0° |
| C09 | C10 | S11 | H102 | 119.8° | 119.9° |
| C09 | C10 | S11 | H101 | 119.9° | 120.0° |
| C09 | C10 | S11 | C12 | 155.7° | 180.0° |
| C09 | C10 | H102 | H101 | 120.4° | 120.0° |
| C10 | C09 | N08 | H081 | 82.9° | 94.9° |
| C22 | C23 | C24 | C38 | 121.1° | 120.0° |
| C22 | C23 | C24 | H231 | 119.3° | 120.1° |
| C22 | C23 | C38 | H231 | 120.7° | 120.0° |
| C22 | C23 | C24 | N25 | 141.1° | 180.0° |
| C22 | C23 | C24 | O37 | 39.1° | 0.1° |
| C23 | C22 | H222 | H221 | 120.1° | 120.1° |
| C22 | C23 | C38 | H382 | 180.0° | 55.1° |
| C22 | C23 | C38 | H381 | 60.0° | 175.1° |
| C22 | C23 | C38 | H383 | 60.0° | 65.0° |
| C23 | C22 | C20 | H201 | 40.6° | 55.2° |
| C24 | C23 | C38 | H231 | 119.3° | 120.0° |
| C23 | C24 | N25 | O37 | 179.8° | 179.9° |
| C23 | C24 | N25 | C26 | 179.2° | 179.9° |
| C24 | C23 | C22 | H222 | 146.3° | 53.6° |
| C24 | C23 | C22 | H221 | 26.2° | 173.7° |
| C24 | C23 | C38 | H382 | 60.0° | 175.1° |
| C24 | C23 | C38 | H381 | 180.0° | 65.0° |
| C24 | C23 | C38 | H383 | 60.0° | 55.0° |
| C23 | C24 | N25 | H251 | 0.8° | 0.0° |
| C38 | C23 | C24 | N25 | 97.8° | 60.0° |
| C38 | C23 | C24 | O37 | 82.0° | 120.1° |
| C38 | C23 | C22 | H222 | 26.5° | 66.3° |
| C38 | C23 | C22 | H221 | 93.6° | 53.7° |
| C23 | C38 | H382 | H381 | 120.0° | 120.0° |
| C23 | C38 | H382 | H383 | 120.0° | 120.0° |
| C23 | C38 | H381 | H383 | 120.0° | 120.0° |
| C36 | C34 | C26 | N25 | 2.9° | 55.5° |
| C36 | C34 | C35 | C26 | 129.3° | 120.0° |
| C36 | C34 | C35 | H341 | 116.6° | 120.0° |
| C36 | C34 | C26 | H341 | 116.2° | 120.0° |
| C36 | C34 | C26 | C27 | 120.3° | 64.6° |
| C36 | C34 | C26 | H261 | 123.3° | 175.5° |
| C36 | C34 | C35 | H351 | 180.0° | 60.0° |
| C36 | C34 | C35 | H352 | 60.0° | 60.0° |
| C36 | C34 | C35 | H353 | 60.0° | 179.9° |
| C34 | C36 | H361 | H362 | 120.0° | 119.9° |
| C34 | C36 | H361 | H363 | 120.0° | 120.1° |
| C34 | C36 | H362 | H363 | 120.0° | 120.0° |
| S11 | C10 | H102 | H101 | 120.5° | 120.0° |
| C10 | S11 | C12 | H121 | 180.0° | 60.0° |
| C10 | S11 | C12 | H123 | 60.0° | 180.0° |
| C10 | S11 | C12 | H122 | 60.0° | 60.0° |
| S11 | C10 | C09 | H091 | 49.1° | 60.0° |
| C24 | N25 | C26 | H251 | 180.0° | 180.0° |
| C24 | N25 | C26 | C34 | 177.7° | 85.0° |
| C24 | N25 | C26 | C27 | 63.6° | 155.0° |
| N25 | C24 | C23 | H231 | 21.8° | 59.9° |
| C24 | N25 | C26 | H261 | 57.1° | 35.0° |
| C26 | N25 | C24 | O37 | 0.6° | 0.0° |
| N25 | C26 | C34 | C35 | 132.6° | 64.5° |
| N25 | C26 | C34 | C27 | 117.3° | 120.0° |
| N25 | C26 | C34 | H261 | 126.3° | 120.0° |
| N25 | C26 | C27 | H261 | 121.8° | 120.0° |
| N25 | C26 | C27 | O33 | 17.3° | 16.3° |
| N25 | C26 | C27 | N28 | 164.3° | 163.8° |
| N25 | C26 | C34 | H341 | 113.2° | 175.5° |
| O37 | C24 | C23 | H231 | 158.4° | 120.0° |
| O37 | C24 | N25 | H251 | 179.4° | 179.9° |
| C35 | C34 | C26 | H341 | 114.1° | 120.0° |
| C35 | C34 | C26 | C27 | 110.0° | 175.5° |
| C35 | C34 | C26 | H261 | 6.4° | 55.5° |
| C34 | C35 | H351 | H352 | 120.0° | 120.0° |
| C34 | C35 | H351 | H353 | 120.0° | 120.0° |
| C34 | C35 | H352 | H353 | 120.0° | 120.0° |
| C35 | C34 | C36 | H361 | 180.0° | 56.0° |
| C35 | C34 | C36 | H362 | 60.0° | 175.9° |
| C35 | C34 | C36 | H363 | 60.0° | 64.1° |
| C12 | S11 | C10 | H102 | 35.9° | 60.0° |
| C12 | S11 | C10 | H101 | 84.4° | 60.0° |
| S11 | C12 | H121 | H123 | 120.0° | 120.0° |
| S11 | C12 | H121 | H122 | 120.0° | 120.0° |
| S11 | C12 | H123 | H122 | 120.0° | 120.0° |
| C34 | C26 | C27 | H261 | 116.3° | 119.9° |
| C34 | C26 | C27 | O33 | 104.6° | 103.8° |
| C34 | C26 | C27 | N28 | 73.9° | 76.2° |
| C26 | C34 | C35 | H351 | 50.7° | 60.0° |
| C26 | C34 | C35 | H352 | 69.3° | 180.0° |
| C26 | C34 | C35 | H353 | 170.7° | 60.1° |
| C26 | C34 | C36 | H361 | 52.5° | 64.0° |
| C26 | C34 | C36 | H362 | 172.5° | 56.0° |
| C26 | C34 | C36 | H363 | 67.5° | 175.9° |
| C34 | C26 | N25 | H251 | 2.3° | 95.0° |
| C26 | C27 | O33 | N28 | 178.3° | 180.0° |
| C26 | C27 | N28 | C29 | 179.8° | 175.0° |
| C27 | C26 | C34 | H341 | 4.1° | 55.5° |
| C27 | C26 | N25 | H251 | 116.4° | 25.0° |
| C26 | C27 | N28 | H281 | 0.2° | 5.0° |
| O33 | C27 | N28 | C29 | 1.4° | 5.0° |
| O33 | C27 | C26 | H261 | 139.2° | 136.3° |
| O33 | C27 | N28 | H281 | 178.6° | 175.0° |
| C27 | N28 | C29 | H281 | 180.0° | 180.0° |
| C27 | N28 | C29 | C30 | 124.8° | 180.0° |
| N28 | C27 | C26 | H261 | 42.4° | 43.8° |
| C27 | N28 | C29 | H292 | 115.4° | 60.0° |
| C27 | N28 | C29 | H291 | 5.1° | 60.0° |
| N28 | C29 | C30 | C31 | 58.4° | 65.0° |
| N28 | C29 | C30 | H292 | 119.7° | 120.0° |
| N28 | C29 | C30 | H291 | 119.7° | 119.9° |
| N28 | C29 | C30 | C32 | 176.8° | 175.0° |
| N28 | C29 | H292 | H291 | 120.8° | 120.0° |
| N28 | C29 | C30 | H301 | 59.1° | 55.0° |
| C31 | C30 | C29 | C32 | 124.8° | 120.0° |
| C31 | C30 | C29 | H301 | 117.5° | 120.0° |
| C31 | C30 | C32 | H301 | 117.9° | 120.0° |
| C31 | C30 | C29 | H292 | 178.1° | 175.0° |
| C31 | C30 | C29 | H291 | 61.3° | 55.0° |
| C31 | C30 | C32 | H323 | 180.0° | 59.9° |
| C31 | C30 | C32 | H322 | 60.0° | 60.0° |
| C31 | C30 | C32 | H321 | 60.0° | 180.0° |
| C30 | C31 | H312 | H311 | 120.0° | 119.9° |
| C30 | C31 | H312 | H313 | 120.0° | 120.0° |
| C30 | C31 | H311 | H313 | 120.0° | 120.0° |
| C29 | C30 | C32 | H301 | 118.2° | 119.9° |
| C30 | C29 | H292 | H291 | 120.9° | 120.0° |
| C29 | C30 | C32 | H323 | 56.1° | 180.0° |
| C29 | C30 | C32 | H322 | 63.9° | 60.0° |
| C29 | C30 | C32 | H321 | 176.1° | 60.0° |
| C30 | C29 | N28 | H281 | 55.2° | 0.0° |
| C29 | C30 | C31 | H312 | 180.0° | 59.9° |
| C29 | C30 | C31 | H311 | 60.0° | 60.0° |
| C29 | C30 | C31 | H313 | 60.0° | 180.0° |
| C32 | C30 | C29 | H292 | 57.1° | 55.0° |
| C32 | C30 | C29 | H291 | 63.5° | 65.1° |
| C30 | C32 | H323 | H322 | 120.0° | 120.0° |
| C30 | C32 | H323 | H321 | 120.0° | 120.0° |
| C30 | C32 | H322 | H321 | 120.0° | 120.0° |
| C32 | C30 | C31 | H312 | 55.4° | 179.9° |
| C32 | C30 | C31 | H311 | 64.6° | 60.0° |
| C32 | C30 | C31 | H313 | 175.4° | 60.0° |
| H102 | C10 | C09 | H091 | 168.9° | 59.9° |
| H101 | C10 | C09 | H091 | 70.8° | 180.0° |
| H121 | C12 | H123 | H122 | 120.0° | 120.0° |
| H141 | N14 | C15 | H151 | 156.3° | 146.1° |
| H151 | C15 | C16 | H161 | 67.5° | 175.7° |
| H151 | C15 | C16 | H162 | 172.7° | 64.3° |
| H151 | C15 | C20 | H201 | 50.6° | 60.0° |
| H161 | C16 | C17 | H171 | 173.7° | 65.7° |
| H162 | C16 | C17 | H171 | 66.5° | 174.3° |
| H182 | C18 | H183 | H181 | 120.0° | 120.0° |
| H182 | C18 | C17 | H171 | 62.0° | 62.1° |
| H183 | C18 | C17 | H171 | 58.0° | 177.9° |
| H181 | C18 | C17 | H171 | 177.9° | 57.9° |
| H222 | C22 | C23 | H231 | 94.4° | 173.7° |
| H222 | C22 | C20 | H201 | 160.6° | 64.9° |
| H221 | C22 | C23 | H231 | 145.5° | 66.2° |
| H221 | C22 | C20 | H201 | 79.4° | 175.1° |
| H231 | C23 | C38 | H382 | 59.3° | 65.0° |
| H231 | C23 | C38 | H381 | 60.7° | 55.0° |
| H231 | C23 | C38 | H383 | 179.3° | 175.0° |
| H261 | C26 | C34 | H341 | 120.5° | 64.5° |
| H261 | C26 | N25 | H251 | 122.9° | 145.0° |
| H292 | C29 | N28 | H281 | 64.6° | 120.0° |
| H292 | C29 | C30 | H301 | 60.6° | 65.0° |
| H291 | C29 | N28 | H281 | 174.9° | 119.9° |
| H291 | C29 | C30 | H301 | 178.8° | 175.0° |
| H323 | C32 | H322 | H321 | 120.0° | 120.0° |
| H323 | C32 | C30 | H301 | 62.1° | 60.1° |
| H322 | C32 | C30 | H301 | 177.9° | 179.9° |
| H321 | C32 | C30 | H301 | 57.9° | 59.9° |
| H341 | C34 | C35 | H351 | 63.4° | 180.0° |
| H341 | C34 | C35 | H352 | 176.6° | 60.0° |
| H341 | C34 | C35 | H353 | 56.6° | 60.0° |
| H341 | C34 | C36 | H361 | 63.5° | 176.0° |
| H341 | C34 | C36 | H362 | 56.5° | 64.1° |
| H341 | C34 | C36 | H363 | 176.4° | 55.9° |
| H351 | C35 | H352 | H353 | 120.0° | 120.0° |
| H361 | C36 | H362 | H363 | 120.0° | 120.0° |
| H382 | C38 | H381 | H383 | 120.0° | 120.0° |
| H1 | N41 | C06 | H2 | 41.3° | 0.2° |
| H011 | C01 | C05 | H051 | 31.2° | 35.6° |
| H032 | C03 | C04 | H041 | 10.0° | 20.0° |
| H032 | C03 | C04 | H042 | 110.5° | 143.4° |
| H031 | C03 | C04 | H041 | 130.8° | 100.9° |
| H031 | C03 | C04 | H042 | 10.2° | 22.5° |
| H041 | C04 | C05 | H051 | 145.9° | 28.2° |
| H042 | C04 | C05 | H051 | 25.3° | 151.6° |
| H051 | C05 | C06 | H2 | 55.0° | 23.4° |
| H081 | N08 | C09 | H091 | 153.3° | 145.0° |
| H171 | C17 | C19 | H193 | 62.3° | 60.0° |
| H171 | C17 | C19 | H191 | 57.8° | 60.0° |
| H171 | C17 | C19 | H192 | 177.8° | 180.0° |
| H193 | C19 | H191 | H192 | 120.0° | 120.0° |
| H201 | C20 | O21 | H211 | 59.8° | 180.0° |
| H301 | C30 | C31 | H312 | 62.3° | 60.0° |
| H301 | C30 | C31 | H311 | 177.7° | 179.9° |
| H301 | C30 | C31 | H313 | 57.7° | 60.0° |
| H312 | C31 | H311 | H313 | 120.0° | 120.0° |
