MQW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C11 | sing | 1.53Å | 1.47Å | |
| C10 | C14 | sing | 1.50Å | 1.54Å | |
| C10 | N09 | sing | 1.49Å | 1.47Å | |
| C13 | C11 | sing | 1.53Å | 1.52Å | |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| C17 | C18 | sing | 1.53Å | 1.56Å | |
| C17 | C19 | sing | 1.53Å | 1.53Å | |
| C20 | C16 | sing | 1.51Å | 1.56Å | |
| C20 | N21 | sing | 1.37Å | 1.50Å | |
| C20 | N53 | doub | 1.31Å | 1.31Å | |
| C22 | C23 | sing | 1.51Å | 1.51Å | |
| C22 | C50 | sing | 1.53Å | 1.57Å | |
| C22 | N21 | sing | 1.47Å | 1.44Å | |
| C26 | C25 | sing | 1.53Å | 1.57Å | |
| C26 | C27 | sing | 1.51Å | 1.55Å | |
| C28 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.38Å | Aromatic |
| C02 | C54 | sing | 1.51Å | 1.55Å | |
| C02 | N03 | sing | 1.35Å | 1.47Å | |
| C02 | O01 | doub | 1.21Å | 1.18Å | |
| C04 | C05 | sing | 1.52Å | 1.59Å | |
| C04 | C08 | sing | 1.52Å | 1.55Å | |
| C04 | N03 | sing | 1.47Å | 1.34Å | |
| C05 | C06 | sing | 1.54Å | 1.55Å | |
| C06 | C07 | sing | 1.54Å | 1.39Å | |
| C07 | N03 | sing | 1.46Å | 1.62Å | |
| C08 | N09 | sing | 1.37Å | 1.47Å | |
| C08 | O56 | doub | 1.21Å | 1.19Å | |
| C11 | C12 | sing | 1.53Å | 1.56Å | |
| C14 | N15 | sing | 1.36Å | 1.50Å | |
| C14 | O55 | doub | 1.21Å | 1.20Å | |
| C16 | N15 | sing | 1.49Å | 1.46Å | |
| C23 | N24 | sing | 1.35Å | 1.46Å | |
| C23 | O49 | doub | 1.21Å | 1.18Å | |
| C25 | C33 | sing | 1.51Å | 1.49Å | |
| C25 | N24 | sing | 1.46Å | 1.46Å | |
| C27 | C32 | sing | 1.38Å | 1.39Å | Aromatic |
| C29 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
| C30 | C31 | sing | 1.38Å | 1.39Å | Aromatic |
| C31 | C32 | doub | 1.38Å | 1.39Å | Aromatic |
| C33 | N34 | sing | 1.35Å | 1.45Å | |
| C33 | O48 | doub | 1.21Å | 1.19Å | |
| C35 | C36 | sing | 1.53Å | 1.52Å | |
| C35 | C40 | sing | 1.51Å | 1.54Å | |
| C35 | N34 | sing | 1.46Å | 1.45Å | |
| C36 | C37 | sing | 1.51Å | 1.55Å | |
| C37 | O38 | doub | 1.21Å | 1.27Å | |
| C37 | O39 | sing | 1.34Å | 1.27Å | |
| C40 | N41 | doub | 1.28Å | 1.56Å | |
| C40 | S47 | sing | 1.77Å | 1.55Å | |
| C42 | C43 | sing | 1.51Å | 1.37Å | |
| C42 | N41 | sing | 1.45Å | 1.50Å | |
| C43 | O44 | doub | 1.21Å | 1.27Å | |
| C43 | O45 | sing | 1.34Å | 1.26Å | |
| C46 | S47 | sing | 1.82Å | 1.71Å | |
| C50 | C51 | sing | 1.53Å | 1.56Å | |
| C50 | C52 | sing | 1.53Å | 1.54Å | |
| C54 | N53 | sing | 1.49Å | 1.51Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H133 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.08Å | 1.08Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H123 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H183 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H193 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.08Å | 1.08Å | |
| C30 | H301 | sing | 1.08Å | 1.08Å | |
| C31 | H311 | sing | 1.08Å | 1.08Å | |
| C32 | H321 | sing | 1.08Å | 1.08Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C42 | H421 | sing | 1.09Å | 1.10Å | |
| C46 | H461 | sing | 1.09Å | 1.10Å | |
| C46 | H3 | sing | 1.09Å | 1.10Å | |
| C50 | H501 | sing | 1.09Å | 1.10Å | |
| C51 | H512 | sing | 1.09Å | 1.10Å | |
| C51 | H511 | sing | 1.09Å | 1.10Å | |
| C51 | H513 | sing | 1.09Å | 1.10Å | |
| C52 | H521 | sing | 1.09Å | 1.10Å | |
| C52 | H522 | sing | 1.09Å | 1.10Å | |
| C52 | H523 | sing | 1.09Å | 1.10Å | |
| C54 | H541 | sing | 1.09Å | 1.10Å | |
| C54 | H542 | sing | 1.09Å | 1.10Å | |
| N09 | H091 | sing | 0.97Å | 1.00Å | |
| N15 | H151 | sing | 0.97Å | 1.00Å | |
| N21 | H211 | sing | 0.97Å | 1.00Å | |
| N24 | H241 | sing | 0.97Å | 1.00Å | |
| N34 | H341 | sing | 0.97Å | 1.00Å | |
| O39 | H6 | sing | 0.97Å | 0.95Å | |
| O45 | H7 | sing | 0.97Å | 0.95Å | |
| C46 | C42 | sing | 1.54Å | 1.72Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | C14 | 115.6° | 110.1° |
| C11 | C10 | N09 | 112.6° | 110.1° |
| C10 | C11 | C13 | 108.0° | 109.5° |
| C10 | C11 | C12 | 112.3° | 109.5° |
| C11 | C10 | H101 | 110.6° | 110.1° |
| C10 | C11 | H111 | 108.5° | 109.5° |
| C14 | C10 | N09 | 97.1° | 106.1° |
| C10 | C14 | N15 | 117.0° | 120.7° |
| C10 | C14 | O55 | 121.2° | 119.6° |
| C14 | C10 | H101 | 109.6° | 110.1° |
| C10 | N09 | C08 | 123.7° | 116.5° |
| N09 | C10 | H101 | 110.7° | 110.2° |
| C10 | N09 | H091 | 118.2° | 121.8° |
| C13 | C11 | C12 | 112.6° | 109.4° |
| C11 | C13 | H132 | 109.5° | 109.4° |
| C11 | C13 | H131 | 109.5° | 109.5° |
| C11 | C13 | H133 | 109.5° | 109.4° |
| C13 | C11 | H111 | 107.8° | 109.5° |
| C16 | C17 | C18 | 111.6° | 109.5° |
| C16 | C17 | C19 | 118.1° | 109.4° |
| C17 | C16 | C20 | 114.1° | 110.0° |
| C17 | C16 | N15 | 117.8° | 110.1° |
| C16 | C17 | H171 | 106.3° | 109.5° |
| C17 | C16 | H161 | 108.9° | 110.1° |
| C18 | C17 | C19 | 108.1° | 109.5° |
| C18 | C17 | H171 | 105.9° | 109.5° |
| C17 | C18 | H181 | 109.5° | 109.5° |
| C17 | C18 | H183 | 109.5° | 109.5° |
| C17 | C18 | H182 | 109.5° | 109.4° |
| C19 | C17 | H171 | 106.1° | 109.5° |
| C17 | C19 | H191 | 109.5° | 109.5° |
| C17 | C19 | H193 | 109.4° | 109.5° |
| C17 | C19 | H192 | 109.5° | 109.5° |
| C16 | C20 | N21 | 122.5° | 120.2° |
| C16 | C20 | N53 | 116.7° | 120.3° |
| C20 | C16 | N15 | 97.2° | 106.4° |
| C20 | C16 | H161 | 108.4° | 110.1° |
| N21 | C20 | N53 | 120.7° | 119.5° |
| C20 | N21 | C22 | 117.8° | 120.0° |
| C20 | N21 | H211 | 121.1° | 120.0° |
| C20 | N53 | C54 | 126.8° | 115.1° |
| C23 | C22 | C50 | 103.6° | 109.5° |
| C23 | C22 | N21 | 119.4° | 109.4° |
| C22 | C23 | N24 | 121.5° | 120.0° |
| C22 | C23 | O49 | 119.3° | 120.0° |
| C23 | C22 | H221 | 109.2° | 109.5° |
| C50 | C22 | N21 | 105.5° | 109.5° |
| C22 | C50 | C51 | 111.8° | 109.5° |
| C22 | C50 | C52 | 113.8° | 109.5° |
| C50 | C22 | H221 | 108.3° | 109.5° |
| C22 | C50 | H501 | 108.0° | 109.5° |
| N21 | C22 | H221 | 110.0° | 109.5° |
| C22 | N21 | H211 | 121.1° | 120.0° |
| C25 | C26 | C27 | 111.0° | 109.5° |
| C26 | C25 | C33 | 106.1° | 109.5° |
| C26 | C25 | N24 | 103.0° | 109.4° |
| C25 | C26 | H261 | 109.1° | 109.4° |
| C25 | C26 | H262 | 109.1° | 109.4° |
| C26 | C25 | H251 | 108.3° | 109.5° |
| C26 | C27 | C28 | 117.5° | 120.0° |
| C26 | C27 | C32 | 121.5° | 119.9° |
| C27 | C26 | H261 | 109.1° | 109.5° |
| C27 | C26 | H262 | 109.1° | 109.5° |
| C27 | C28 | C29 | 119.5° | 120.0° |
| C28 | C27 | C32 | 121.0° | 120.0° |
| C27 | C28 | H281 | 120.3° | 120.0° |
| C28 | C29 | C30 | 120.2° | 120.0° |
| C29 | C28 | H281 | 120.2° | 120.0° |
| C28 | C29 | H291 | 119.9° | 120.0° |
| C54 | C02 | N03 | 120.5° | 120.5° |
| C54 | C02 | O01 | 119.9° | 119.8° |
| C02 | C54 | N53 | 96.5° | 107.2° |
| C02 | C54 | H541 | 112.6° | 109.9° |
| C02 | C54 | H542 | 112.6° | 109.9° |
| N03 | C02 | O01 | 119.5° | 119.7° |
| C02 | N03 | C04 | 126.2° | 125.1° |
| C02 | N03 | C07 | 123.9° | 125.7° |
| C05 | C04 | C08 | 111.6° | 110.2° |
| C05 | C04 | N03 | 105.7° | 108.3° |
| C04 | C05 | C06 | 102.6° | 106.4° |
| C05 | C04 | H041 | 110.2° | 110.9° |
| C04 | C05 | H052 | 111.2° | 110.1° |
| C04 | C05 | H051 | 111.1° | 110.1° |
| C08 | C04 | N03 | 104.1° | 107.6° |
| C04 | C08 | N09 | 117.7° | 115.2° |
| C04 | C08 | O56 | 121.9° | 122.4° |
| C08 | C04 | H041 | 110.8° | 109.4° |
| C04 | N03 | C07 | 109.9° | 109.2° |
| N03 | C04 | H041 | 114.2° | 110.4° |
| C05 | C06 | C07 | 105.1° | 104.9° |
| C06 | C05 | H052 | 111.2° | 110.1° |
| C06 | C05 | H051 | 111.2° | 110.1° |
| C05 | C06 | H061 | 110.6° | 110.3° |
| C05 | C06 | H062 | 110.6° | 110.3° |
| C06 | C07 | N03 | 105.2° | 107.7° |
| C07 | C06 | H061 | 110.5° | 110.4° |
| C07 | C06 | H062 | 110.5° | 110.4° |
| C06 | C07 | H071 | 110.5° | 109.8° |
| C06 | C07 | H072 | 110.5° | 109.8° |
| N03 | C07 | H071 | 110.5° | 109.8° |
| N03 | C07 | H072 | 110.5° | 109.9° |
| N09 | C08 | O56 | 120.4° | 122.4° |
| C08 | N09 | H091 | 118.1° | 121.8° |
| C12 | C11 | H111 | 107.4° | 109.5° |
| C11 | C12 | H122 | 109.5° | 109.5° |
| C11 | C12 | H123 | 109.5° | 109.5° |
| C11 | C12 | H121 | 109.5° | 109.5° |
| N15 | C14 | O55 | 121.8° | 119.7° |
| C14 | N15 | C16 | 121.8° | 113.6° |
| C14 | N15 | H151 | 119.1° | 123.2° |
| N15 | C16 | H161 | 109.7° | 110.1° |
| C16 | N15 | H151 | 119.1° | 123.1° |
| N24 | C23 | O49 | 119.2° | 120.0° |
| C23 | N24 | C25 | 117.7° | 120.0° |
| C23 | N24 | H241 | 121.1° | 120.0° |
| C33 | C25 | N24 | 119.5° | 109.5° |
| C25 | C33 | N34 | 117.9° | 120.0° |
| C25 | C33 | O48 | 121.0° | 120.0° |
| C33 | C25 | H251 | 109.4° | 109.5° |
| N24 | C25 | H251 | 109.9° | 109.4° |
| C25 | N24 | H241 | 121.1° | 120.0° |
| C27 | C32 | C31 | 119.3° | 120.0° |
| C27 | C32 | H321 | 120.4° | 120.0° |
| C29 | C30 | C31 | 120.2° | 120.0° |
| C30 | C29 | H291 | 119.9° | 120.0° |
| C29 | C30 | H301 | 119.9° | 120.0° |
| C30 | C31 | C32 | 119.8° | 120.0° |
| C31 | C30 | H301 | 119.9° | 120.0° |
| C30 | C31 | H311 | 120.1° | 120.0° |
| C32 | C31 | H311 | 120.1° | 120.0° |
| C31 | C32 | H321 | 120.3° | 120.0° |
| N34 | C33 | O48 | 121.1° | 120.0° |
| C33 | N34 | C35 | 120.5° | 120.0° |
| C33 | N34 | H341 | 119.8° | 120.0° |
| C36 | C35 | C40 | 109.6° | 109.4° |
| C36 | C35 | N34 | 112.5° | 109.5° |
| C35 | C36 | C37 | 109.8° | 109.5° |
| C36 | C35 | H351 | 110.2° | 109.4° |
| C35 | C36 | H362 | 109.4° | 109.4° |
| C35 | C36 | H361 | 109.4° | 109.4° |
| C40 | C35 | N34 | 103.4° | 109.5° |
| C35 | C40 | N41 | 118.7° | 125.0° |
| C35 | C40 | S47 | 127.6° | 125.0° |
| C40 | C35 | H351 | 109.8° | 109.5° |
| N34 | C35 | H351 | 111.1° | 109.5° |
| C35 | N34 | H341 | 119.8° | 120.0° |
| C36 | C37 | O38 | 119.4° | 120.0° |
| C36 | C37 | O39 | 119.6° | 120.0° |
| C37 | C36 | H362 | 109.3° | 109.5° |
| C37 | C36 | H361 | 109.4° | 109.5° |
| O38 | C37 | O39 | 121.0° | 120.1° |
| C37 | O39 | H6 | 109.5° | 117.0° |
| N41 | C40 | S47 | 113.2° | 110.0° |
| C40 | N41 | C42 | 110.7° | 120.1° |
| C40 | S47 | C46 | 100.5° | 95.6° |
| C43 | C42 | N41 | 112.0° | 109.1° |
| C42 | C43 | O44 | 122.2° | 120.0° |
| C42 | C43 | O45 | 120.0° | 120.0° |
| C43 | C42 | H421 | 111.5° | 109.1° |
| C43 | C42 | C46 | 115.1° | 109.2° |
| N41 | C42 | H421 | 109.6° | 109.1° |
| N41 | C42 | C46 | 101.1° | 111.1° |
| O44 | C43 | O45 | 117.8° | 120.0° |
| C43 | O45 | H7 | 109.5° | 117.0° |
| S47 | C46 | H461 | 110.5° | 110.7° |
| S47 | C46 | H3 | 110.5° | 110.7° |
| S47 | C46 | C42 | 105.3° | 103.1° |
| C51 | C50 | C52 | 106.7° | 109.5° |
| C51 | C50 | H501 | 108.1° | 109.5° |
| C50 | C51 | H512 | 109.5° | 109.5° |
| C50 | C51 | H511 | 109.4° | 109.5° |
| C50 | C51 | H513 | 109.5° | 109.4° |
| C52 | C50 | H501 | 108.3° | 109.5° |
| C50 | C52 | H521 | 109.5° | 109.5° |
| C50 | C52 | H522 | 109.4° | 109.4° |
| C50 | C52 | H523 | 109.5° | 109.5° |
| N53 | C54 | H541 | 112.6° | 109.9° |
| N53 | C54 | H542 | 112.6° | 109.9° |
| H132 | C13 | H131 | 109.5° | 109.5° |
| H132 | C13 | H133 | 109.4° | 109.5° |
| H131 | C13 | H133 | 109.5° | 109.5° |
| H261 | C26 | H262 | 109.5° | 109.5° |
| H052 | C05 | H051 | 109.4° | 110.0° |
| H061 | C06 | H062 | 109.5° | 110.3° |
| H071 | C07 | H072 | 109.4° | 109.8° |
| H122 | C12 | H123 | 109.5° | 109.4° |
| H122 | C12 | H121 | 109.5° | 109.5° |
| H123 | C12 | H121 | 109.5° | 109.5° |
| H181 | C18 | H183 | 109.5° | 109.5° |
| H181 | C18 | H182 | 109.4° | 109.5° |
| H183 | C18 | H182 | 109.5° | 109.5° |
| H191 | C19 | H193 | 109.5° | 109.5° |
| H191 | C19 | H192 | 109.4° | 109.5° |
| H193 | C19 | H192 | 109.5° | 109.4° |
| H362 | C36 | H361 | 109.5° | 109.5° |
| H421 | C42 | C46 | 107.0° | 109.0° |
| H461 | C46 | H3 | 109.5° | 110.6° |
| H461 | C46 | C42 | 110.5° | 110.9° |
| H3 | C46 | C42 | 110.5° | 110.7° |
| H512 | C51 | H511 | 109.5° | 109.5° |
| H512 | C51 | H513 | 109.4° | 109.5° |
| H511 | C51 | H513 | 109.5° | 109.5° |
| H521 | C52 | H522 | 109.5° | 109.5° |
| H521 | C52 | H523 | 109.5° | 109.5° |
| H522 | C52 | H523 | 109.4° | 109.5° |
| H541 | C54 | H542 | 109.5° | 110.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | C14 | N09 | 119.2° | 119.2° |
| C11 | C10 | C14 | H101 | 125.8° | 121.6° |
| C11 | C10 | N09 | H101 | 124.4° | 121.6° |
| C10 | C11 | C13 | C12 | 124.6° | 120.0° |
| C10 | C11 | C13 | H111 | 117.0° | 120.0° |
| C11 | C10 | N09 | C08 | 118.4° | 36.8° |
| C10 | C11 | C12 | H111 | 119.2° | 120.0° |
| C11 | C10 | C14 | N15 | 48.5° | 160.5° |
| C11 | C10 | C14 | O55 | 133.7° | 19.5° |
| C10 | C11 | C13 | H132 | 180.0° | 67.1° |
| C10 | C11 | C13 | H131 | 60.0° | 172.9° |
| C10 | C11 | C13 | H133 | 60.0° | 52.9° |
| C10 | C11 | C12 | H122 | 180.0° | 55.3° |
| C10 | C11 | C12 | H123 | 60.0° | 64.6° |
| C10 | C11 | C12 | H121 | 60.0° | 175.3° |
| C11 | C10 | N09 | H091 | 61.6° | 143.3° |
| C14 | C10 | N09 | H101 | 114.1° | 119.2° |
| C14 | C10 | C11 | C13 | 171.6° | 63.9° |
| C14 | C10 | N09 | C08 | 120.0° | 156.0° |
| C14 | C10 | C11 | C12 | 46.7° | 56.1° |
| C10 | C14 | N15 | O55 | 177.8° | 180.0° |
| C10 | C14 | N15 | C16 | 176.7° | 130.7° |
| C14 | C10 | C11 | H111 | 71.8° | 176.1° |
| C14 | C10 | N09 | H091 | 60.0° | 24.1° |
| C10 | C14 | N15 | H151 | 3.3° | 49.4° |
| N09 | C10 | C11 | C13 | 78.1° | 52.8° |
| C10 | N09 | C08 | C04 | 176.8° | 173.0° |
| C10 | N09 | C08 | H091 | 180.0° | 179.9° |
| C10 | N09 | C08 | O56 | 2.2° | 7.0° |
| N09 | C10 | C11 | C12 | 157.1° | 172.8° |
| N09 | C10 | C14 | N15 | 70.8° | 80.3° |
| N09 | C10 | C14 | O55 | 107.0° | 99.7° |
| N09 | C10 | C11 | H111 | 38.5° | 67.2° |
| C13 | C11 | C12 | H111 | 118.6° | 120.0° |
| C13 | C11 | C10 | H101 | 46.3° | 174.5° |
| C11 | C13 | H132 | H131 | 120.0° | 120.0° |
| C11 | C13 | H132 | H133 | 120.0° | 119.9° |
| C11 | C13 | H131 | H133 | 120.0° | 120.0° |
| C13 | C11 | C12 | H122 | 57.8° | 64.7° |
| C13 | C11 | C12 | H123 | 177.8° | 175.4° |
| C13 | C11 | C12 | H121 | 62.2° | 55.4° |
| C16 | C17 | C18 | C19 | 131.4° | 120.0° |
| C16 | C17 | C18 | H171 | 115.2° | 120.0° |
| C16 | C17 | C19 | H171 | 119.0° | 120.0° |
| C17 | C16 | C20 | N15 | 124.9° | 119.2° |
| C17 | C16 | C20 | H161 | 121.5° | 121.5° |
| C17 | C16 | C20 | N21 | 100.0° | 159.9° |
| C17 | C16 | C20 | N53 | 81.6° | 20.7° |
| C17 | C16 | N15 | C14 | 169.4° | 46.5° |
| C17 | C16 | N15 | H161 | 125.3° | 121.5° |
| C16 | C17 | C18 | H181 | 180.0° | 180.0° |
| C16 | C17 | C18 | H183 | 60.0° | 60.0° |
| C16 | C17 | C18 | H182 | 60.0° | 60.0° |
| C16 | C17 | C19 | H191 | 180.0° | 54.7° |
| C16 | C17 | C19 | H193 | 60.0° | 174.7° |
| C16 | C17 | C19 | H192 | 60.0° | 65.3° |
| C17 | C16 | N15 | H151 | 10.6° | 133.5° |
| C18 | C17 | C19 | H171 | 113.2° | 120.0° |
| C18 | C17 | C16 | C20 | 24.8° | 65.8° |
| C18 | C17 | C16 | N15 | 137.9° | 177.3° |
| C18 | C17 | C16 | H161 | 96.5° | 55.8° |
| C17 | C18 | H181 | H183 | 120.0° | 120.1° |
| C17 | C18 | H181 | H182 | 120.0° | 119.9° |
| C17 | C18 | H183 | H182 | 120.0° | 119.9° |
| C18 | C17 | C19 | H191 | 52.2° | 174.7° |
| C18 | C17 | C19 | H193 | 172.2° | 65.3° |
| C18 | C17 | C19 | H192 | 67.8° | 54.7° |
| C19 | C17 | C16 | C20 | 101.3° | 174.2° |
| C19 | C17 | C16 | N15 | 11.8° | 57.2° |
| C19 | C17 | C16 | H161 | 137.4° | 64.2° |
| C19 | C17 | C18 | H181 | 48.6° | 60.0° |
| C19 | C17 | C18 | H183 | 71.4° | 179.9° |
| C19 | C17 | C18 | H182 | 168.6° | 60.0° |
| C17 | C19 | H191 | H193 | 120.0° | 120.0° |
| C17 | C19 | H191 | H192 | 120.0° | 120.0° |
| C17 | C19 | H193 | H192 | 120.0° | 120.0° |
| C16 | C20 | N21 | N53 | 178.4° | 179.4° |
| C16 | C20 | N21 | C22 | 4.2° | 20.1° |
| C20 | C16 | N15 | C14 | 68.4° | 72.7° |
| C20 | C16 | N15 | H161 | 112.5° | 119.3° |
| C16 | C20 | N53 | C54 | 176.2° | 177.2° |
| C20 | C16 | C17 | H171 | 139.7° | 54.2° |
| C20 | C16 | N15 | H151 | 111.6° | 107.3° |
| C16 | C20 | N21 | H211 | 175.8° | 160.0° |
| C20 | N21 | C22 | C23 | 106.7° | 150.7° |
| C20 | N21 | C22 | C50 | 137.4° | 89.3° |
| C20 | N21 | C22 | H211 | 180.0° | 179.9° |
| N21 | C20 | C16 | N15 | 135.1° | 80.9° |
| N21 | C20 | N53 | C54 | 2.3° | 2.2° |
| C20 | N21 | C22 | H221 | 20.7° | 30.7° |
| N21 | C20 | C16 | H161 | 21.6° | 38.4° |
| N53 | C20 | N21 | C22 | 177.4° | 160.5° |
| C20 | N53 | C54 | C02 | 109.4° | 71.5° |
| N53 | C20 | C16 | N15 | 43.3° | 98.5° |
| N53 | C20 | C16 | H161 | 156.9° | 142.2° |
| C20 | N53 | C54 | H541 | 132.8° | 169.1° |
| C20 | N53 | C54 | H542 | 8.4° | 48.0° |
| N53 | C20 | N21 | H211 | 2.6° | 19.5° |
| C23 | C22 | C50 | N21 | 126.3° | 120.0° |
| C23 | C22 | C50 | H221 | 115.9° | 120.0° |
| C23 | C22 | N21 | H221 | 127.4° | 120.0° |
| C22 | C23 | N24 | O49 | 179.3° | 180.0° |
| C22 | C23 | N24 | C25 | 176.2° | 175.7° |
| C23 | C22 | C50 | C51 | 76.5° | 179.8° |
| C23 | C22 | C50 | C52 | 162.5° | 59.8° |
| C23 | C22 | C50 | H501 | 42.3° | 60.1° |
| C23 | C22 | N21 | H211 | 73.3° | 29.4° |
| C22 | C23 | N24 | H241 | 3.7° | 4.3° |
| C50 | C22 | N21 | H221 | 116.7° | 120.0° |
| C50 | C22 | C23 | N24 | 87.4° | 58.4° |
| C50 | C22 | C23 | O49 | 91.9° | 121.6° |
| C22 | C50 | C51 | C52 | 125.0° | 120.0° |
| C22 | C50 | C51 | H501 | 118.7° | 120.0° |
| C22 | C50 | C52 | H501 | 120.1° | 120.0° |
| C22 | C50 | C51 | H512 | 180.0° | 56.0° |
| C22 | C50 | C51 | H511 | 60.0° | 176.0° |
| C22 | C50 | C51 | H513 | 60.0° | 64.0° |
| C22 | C50 | C52 | H521 | 180.0° | 55.2° |
| C22 | C50 | C52 | H522 | 60.0° | 175.2° |
| C22 | C50 | C52 | H523 | 60.0° | 64.8° |
| C50 | C22 | N21 | H211 | 42.7° | 90.6° |
| N21 | C22 | C23 | N24 | 29.5° | 178.4° |
| N21 | C22 | C23 | O49 | 151.2° | 1.6° |
| N21 | C22 | C50 | C51 | 49.8° | 59.9° |
| N21 | C22 | C50 | C52 | 71.2° | 60.1° |
| N21 | C22 | C50 | H501 | 168.6° | 179.9° |
| C25 | C26 | C27 | H261 | 120.2° | 120.0° |
| C25 | C26 | C27 | H262 | 120.2° | 120.0° |
| C25 | C26 | C27 | C28 | 77.3° | 90.0° |
| C26 | C25 | N24 | C23 | 144.9° | 85.0° |
| C26 | C25 | C33 | N24 | 115.6° | 120.0° |
| C26 | C25 | C33 | H251 | 116.6° | 120.0° |
| C26 | C25 | N24 | H251 | 115.2° | 119.9° |
| C25 | C26 | C27 | C32 | 102.6° | 90.0° |
| C26 | C25 | C33 | N34 | 112.2° | 60.0° |
| C26 | C25 | C33 | O48 | 69.4° | 120.0° |
| C25 | C26 | H261 | H262 | 119.3° | 120.0° |
| C26 | C25 | N24 | H241 | 35.0° | 95.1° |
| C26 | C27 | C28 | C32 | 179.8° | 180.0° |
| C26 | C27 | C28 | C29 | 179.6° | 180.0° |
| C27 | C26 | C25 | C33 | 162.5° | 175.0° |
| C27 | C26 | C25 | N24 | 71.2° | 64.9° |
| C26 | C27 | C32 | C31 | 179.6° | 180.0° |
| C27 | C26 | H261 | H262 | 119.3° | 120.1° |
| C26 | C27 | C28 | H281 | 0.4° | 0.3° |
| C27 | C26 | C25 | H251 | 45.1° | 55.0° |
| C26 | C27 | C32 | H321 | 0.4° | 0.0° |
| C27 | C28 | C29 | H281 | 180.0° | 179.8° |
| C27 | C28 | C29 | C30 | 0.1° | 0.0° |
| C28 | C27 | C32 | C31 | 0.2° | 0.0° |
| C28 | C27 | C26 | H261 | 162.5° | 30.0° |
| C28 | C27 | C26 | H262 | 43.0° | 150.0° |
| C27 | C28 | C29 | H291 | 179.9° | 180.0° |
| C28 | C27 | C32 | H321 | 179.8° | 180.0° |
| C29 | C28 | C27 | C32 | 0.3° | 0.0° |
| C28 | C29 | C30 | H291 | 180.0° | 180.0° |
| C28 | C29 | C30 | C31 | 0.5° | 0.0° |
| C28 | C29 | C30 | H301 | 179.5° | 180.0° |
| C54 | C02 | N03 | O01 | 175.9° | 180.0° |
| C54 | C02 | N03 | C04 | 175.1° | 159.5° |
| C54 | C02 | N03 | C07 | 3.3° | 20.3° |
| C02 | C54 | N53 | H541 | 117.8° | 119.4° |
| C02 | C54 | N53 | H542 | 117.8° | 119.4° |
| C02 | C54 | H541 | H542 | 126.1° | 121.1° |
| C02 | N03 | C04 | C05 | 167.5° | 170.7° |
| C02 | N03 | C04 | C08 | 49.8° | 70.2° |
| C02 | N03 | C04 | C07 | 178.6° | 179.8° |
| C02 | N03 | C07 | C06 | 170.5° | 162.3° |
| N03 | C02 | C54 | N53 | 93.0° | 93.7° |
| C02 | N03 | C04 | H041 | 71.2° | 49.1° |
| C02 | N03 | C07 | H071 | 70.2° | 78.2° |
| C02 | N03 | C07 | H072 | 51.2° | 42.7° |
| N03 | C02 | C54 | H541 | 24.7° | 25.7° |
| N03 | C02 | C54 | H542 | 149.2° | 146.9° |
| O01 | C02 | N03 | C04 | 0.8° | 20.4° |
| O01 | C02 | N03 | C07 | 179.2° | 159.8° |
| O01 | C02 | C54 | N53 | 82.9° | 86.3° |
| O01 | C02 | C54 | H541 | 159.3° | 154.3° |
| O01 | C02 | C54 | H542 | 34.9° | 33.2° |
| C05 | C04 | C08 | N03 | 113.6° | 117.9° |
| C05 | C04 | C08 | H041 | 123.2° | 122.2° |
| C05 | C04 | N03 | H041 | 121.3° | 121.6° |
| C04 | C05 | C06 | H052 | 118.9° | 119.3° |
| C04 | C05 | C06 | H051 | 118.9° | 119.3° |
| C04 | C05 | C06 | C07 | 34.3° | 13.0° |
| C05 | C04 | N03 | C07 | 11.1° | 9.4° |
| C05 | C04 | C08 | N09 | 75.1° | 143.0° |
| C05 | C04 | C08 | O56 | 105.9° | 37.0° |
| C04 | C05 | H052 | H051 | 123.1° | 121.6° |
| C04 | C05 | C06 | H061 | 153.6° | 131.9° |
| C04 | C05 | C06 | H062 | 85.0° | 105.9° |
| C08 | C04 | N03 | H041 | 121.0° | 119.3° |
| C08 | C04 | C05 | C06 | 139.8° | 120.2° |
| C08 | C04 | N03 | C07 | 128.8° | 109.6° |
| C04 | C08 | N09 | O56 | 179.0° | 180.0° |
| C08 | C04 | C05 | H052 | 20.9° | 0.9° |
| C08 | C04 | C05 | H051 | 101.3° | 120.6° |
| C04 | C08 | N09 | H091 | 3.2° | 7.0° |
| N03 | C04 | C05 | C06 | 27.2° | 2.7° |
| C04 | N03 | C07 | C06 | 10.9° | 17.9° |
| N03 | C04 | C08 | N09 | 38.5° | 25.1° |
| N03 | C04 | C08 | O56 | 140.5° | 154.9° |
| N03 | C04 | C05 | H052 | 91.7° | 116.5° |
| N03 | C04 | C05 | H051 | 146.1° | 122.0° |
| C04 | N03 | C07 | H071 | 108.5° | 101.7° |
| C04 | N03 | C07 | H072 | 130.2° | 137.4° |
| C05 | C06 | C07 | H061 | 119.3° | 118.9° |
| C05 | C06 | C07 | H062 | 119.3° | 118.9° |
| C05 | C06 | C07 | N03 | 27.8° | 19.0° |
| C06 | C05 | C04 | H041 | 96.6° | 118.6° |
| C06 | C05 | H052 | H051 | 123.2° | 121.5° |
| C05 | C06 | H061 | H062 | 122.1° | 122.2° |
| C05 | C06 | C07 | H071 | 91.5° | 100.6° |
| C05 | C06 | C07 | H072 | 147.1° | 138.5° |
| C06 | C07 | N03 | H071 | 119.3° | 119.6° |
| C06 | C07 | N03 | H072 | 119.3° | 119.5° |
| C07 | C06 | C05 | H052 | 84.6° | 106.3° |
| C07 | C06 | C05 | H051 | 153.2° | 132.3° |
| C07 | C06 | H061 | H062 | 122.0° | 122.3° |
| C06 | C07 | H071 | H072 | 122.0° | 120.9° |
| C07 | N03 | C04 | H041 | 110.2° | 131.0° |
| N03 | C07 | C06 | H061 | 147.1° | 137.8° |
| N03 | C07 | C06 | H062 | 91.5° | 99.9° |
| N03 | C07 | H071 | H072 | 122.0° | 120.9° |
| C08 | N09 | C10 | H101 | 6.0° | 84.8° |
| N09 | C08 | C04 | H041 | 161.7° | 94.8° |
| O56 | C08 | C04 | H041 | 17.3° | 85.2° |
| O56 | C08 | N09 | H091 | 177.8° | 172.9° |
| C12 | C11 | C10 | H101 | 78.5° | 65.5° |
| C12 | C11 | C13 | H132 | 55.4° | 53.0° |
| C12 | C11 | C13 | H131 | 64.6° | 67.1° |
| C12 | C11 | C13 | H133 | 175.4° | 172.9° |
| C11 | C12 | H122 | H123 | 120.0° | 120.0° |
| C11 | C12 | H122 | H121 | 120.0° | 120.0° |
| C11 | C12 | H123 | H121 | 120.0° | 120.0° |
| C14 | N15 | C16 | H151 | 180.0° | 180.0° |
| N15 | C14 | C10 | H101 | 174.3° | 39.0° |
| C14 | N15 | C16 | H161 | 44.2° | 168.0° |
| O55 | C14 | N15 | C16 | 1.1° | 49.3° |
| O55 | C14 | C10 | H101 | 7.9° | 141.0° |
| O55 | C14 | N15 | H151 | 178.9° | 130.7° |
| N15 | C16 | C17 | H171 | 107.1° | 62.7° |
| C23 | N24 | C25 | C33 | 97.9° | 155.0° |
| C23 | N24 | C25 | H241 | 180.0° | 180.0° |
| N24 | C23 | C22 | H221 | 157.3° | 61.6° |
| C23 | N24 | C25 | H251 | 29.7° | 35.0° |
| O49 | C23 | N24 | C25 | 3.1° | 4.3° |
| O49 | C23 | C22 | H221 | 23.4° | 118.4° |
| O49 | C23 | N24 | H241 | 177.0° | 175.7° |
| C33 | C25 | N24 | H251 | 127.6° | 120.0° |
| C25 | C33 | N34 | O48 | 178.4° | 180.0° |
| C25 | C33 | N34 | C35 | 177.0° | 175.0° |
| C33 | C25 | C26 | H261 | 77.3° | 65.0° |
| C33 | C25 | C26 | H262 | 42.3° | 55.0° |
| C33 | C25 | N24 | H241 | 82.1° | 25.0° |
| C25 | C33 | N34 | H341 | 2.9° | 5.0° |
| N24 | C25 | C33 | N34 | 3.4° | 180.0° |
| N24 | C25 | C33 | O48 | 175.0° | 0.0° |
| N24 | C25 | C26 | H261 | 49.1° | 55.0° |
| N24 | C25 | C26 | H262 | 168.6° | 175.0° |
| C27 | C32 | C31 | C30 | 0.2° | 0.0° |
| C27 | C32 | C31 | H321 | 180.0° | 180.0° |
| C32 | C27 | C26 | H261 | 17.7° | 150.0° |
| C32 | C27 | C26 | H262 | 137.2° | 30.0° |
| C32 | C27 | C28 | H281 | 179.7° | 179.7° |
| C27 | C32 | C31 | H311 | 179.8° | 180.0° |
| C29 | C30 | C31 | H301 | 180.0° | 180.0° |
| C29 | C30 | C31 | C32 | 0.6° | 0.0° |
| C30 | C29 | C28 | H281 | 179.9° | 179.7° |
| C29 | C30 | C31 | H311 | 179.4° | 180.0° |
| C30 | C31 | C32 | H311 | 180.0° | 180.0° |
| C31 | C30 | C29 | H291 | 179.5° | 180.0° |
| C30 | C31 | C32 | H321 | 179.8° | 180.0° |
| C32 | C31 | C30 | H301 | 179.5° | 180.0° |
| C33 | N34 | C35 | C36 | 119.9° | 81.2° |
| C33 | N34 | C35 | C40 | 121.9° | 158.8° |
| C33 | N34 | C35 | H341 | 180.0° | 180.0° |
| N34 | C33 | C25 | H251 | 131.2° | 60.0° |
| C33 | N34 | C35 | H351 | 4.2° | 38.8° |
| O48 | C33 | N34 | C35 | 4.6° | 5.0° |
| O48 | C33 | C25 | H251 | 47.2° | 120.0° |
| O48 | C33 | N34 | H341 | 175.4° | 175.0° |
| C36 | C35 | C40 | N34 | 120.2° | 120.0° |
| C36 | C35 | C40 | H351 | 121.1° | 119.9° |
| C36 | C35 | N34 | H351 | 124.1° | 120.0° |
| C35 | C36 | C37 | H362 | 120.1° | 120.0° |
| C35 | C36 | C37 | H361 | 120.0° | 120.0° |
| C35 | C36 | C37 | O38 | 17.1° | 5.6° |
| C35 | C36 | C37 | O39 | 162.9° | 174.3° |
| C36 | C35 | C40 | N41 | 124.6° | 125.0° |
| C36 | C35 | C40 | S47 | 64.1° | 55.4° |
| C35 | C36 | H362 | H361 | 119.8° | 119.9° |
| C36 | C35 | N34 | H341 | 60.2° | 98.8° |
| C40 | C35 | N34 | H351 | 117.7° | 120.0° |
| C40 | C35 | C36 | C37 | 147.3° | 65.2° |
| C35 | C40 | N41 | S47 | 172.5° | 179.7° |
| C35 | C40 | N41 | C42 | 172.5° | 180.0° |
| C35 | C40 | S47 | C46 | 166.0° | 180.0° |
| C40 | C35 | C36 | H362 | 27.3° | 54.8° |
| C40 | C35 | C36 | H361 | 92.6° | 174.8° |
| C40 | C35 | N34 | H341 | 58.1° | 21.2° |
| N34 | C35 | C36 | C37 | 98.2° | 174.8° |
| N34 | C35 | C40 | N41 | 4.4° | 115.0° |
| N34 | C35 | C40 | S47 | 175.7° | 64.7° |
| N34 | C35 | C36 | H362 | 141.8° | 65.2° |
| N34 | C35 | C36 | H361 | 21.8° | 54.7° |
| C36 | C37 | O38 | O39 | 180.0° | 180.0° |
| C37 | C36 | C35 | H351 | 26.4° | 54.7° |
| C37 | C36 | H362 | H361 | 119.8° | 120.0° |
| C36 | C37 | O39 | H6 | 180.0° | 180.0° |
| O38 | C37 | C36 | H362 | 103.0° | 125.6° |
| O38 | C37 | C36 | H361 | 137.1° | 114.3° |
| O38 | C37 | O39 | H6 | 0.0° | 0.1° |
| O39 | C37 | C36 | H362 | 77.0° | 54.3° |
| O39 | C37 | C36 | H361 | 42.9° | 65.7° |
| C40 | N41 | C42 | C43 | 150.3° | 120.4° |
| N41 | C40 | S47 | C46 | 5.7° | 0.3° |
| N41 | C40 | C35 | H351 | 114.3° | 5.1° |
| C40 | N41 | C42 | H421 | 85.4° | 120.4° |
| C40 | N41 | C42 | C46 | 27.3° | 0.1° |
| S47 | C40 | N41 | C42 | 15.0° | 0.3° |
| S47 | C40 | C35 | H351 | 57.0° | 175.3° |
| C40 | S47 | C46 | H461 | 140.8° | 118.4° |
| C40 | S47 | C46 | H3 | 97.9° | 118.6° |
| C40 | S47 | C46 | C42 | 21.4° | 0.2° |
| C43 | C42 | N41 | H421 | 124.3° | 119.2° |
| C43 | C42 | N41 | C46 | 123.0° | 120.5° |
| C42 | C43 | O44 | O45 | 177.8° | 179.9° |
| C43 | C42 | C46 | S47 | 150.9° | 120.6° |
| C43 | C42 | H421 | C46 | 126.7° | 119.2° |
| C43 | C42 | C46 | H461 | 89.7° | 2.1° |
| C43 | C42 | C46 | H3 | 31.6° | 121.0° |
| C42 | C43 | O45 | H7 | 177.9° | 180.0° |
| N41 | C42 | C43 | O44 | 24.4° | 18.5° |
| N41 | C42 | C43 | O45 | 157.9° | 161.4° |
| N41 | C42 | C46 | S47 | 30.1° | 0.1° |
| N41 | C42 | H421 | C46 | 108.8° | 121.6° |
| N41 | C42 | C46 | H461 | 149.4° | 118.4° |
| N41 | C42 | C46 | H3 | 89.2° | 118.5° |
| O44 | C43 | C42 | H421 | 98.8° | 137.7° |
| O44 | C43 | O45 | H7 | 0.0° | 0.1° |
| O44 | C43 | C42 | C46 | 139.1° | 103.2° |
| O45 | C43 | C42 | H421 | 78.9° | 42.2° |
| O45 | C43 | C42 | C46 | 43.2° | 76.9° |
| S47 | C46 | C42 | H421 | 84.5° | 120.2° |
| S47 | C46 | H461 | H3 | 121.9° | 123.1° |
| S47 | C46 | H461 | C42 | 116.2° | 113.8° |
| S47 | C46 | H3 | C42 | 116.2° | 113.7° |
| C51 | C50 | C52 | H501 | 116.1° | 120.0° |
| C51 | C50 | C22 | H221 | 167.7° | 60.2° |
| C50 | C51 | H512 | H511 | 120.0° | 120.0° |
| C50 | C51 | H512 | H513 | 120.0° | 120.0° |
| C50 | C51 | H511 | H513 | 120.0° | 120.0° |
| C51 | C50 | C52 | H521 | 56.1° | 175.2° |
| C51 | C50 | C52 | H522 | 176.2° | 64.8° |
| C51 | C50 | C52 | H523 | 63.9° | 55.2° |
| C52 | C50 | C22 | H221 | 46.6° | 179.8° |
| C52 | C50 | C51 | H512 | 55.0° | 64.0° |
| C52 | C50 | C51 | H511 | 65.0° | 56.0° |
| C52 | C50 | C51 | H513 | 175.0° | 176.0° |
| C50 | C52 | H521 | H522 | 120.0° | 120.0° |
| C50 | C52 | H521 | H523 | 120.0° | 120.0° |
| C50 | C52 | H522 | H523 | 120.0° | 120.0° |
| N53 | C54 | H541 | H542 | 126.1° | 121.1° |
| H101 | C10 | C11 | H111 | 162.9° | 54.5° |
| H101 | C10 | N09 | H091 | 174.0° | 95.1° |
| H132 | C13 | H131 | H133 | 120.0° | 120.0° |
| H132 | C13 | C11 | H111 | 63.0° | 172.9° |
| H131 | C13 | C11 | H111 | 177.0° | 52.9° |
| H133 | C13 | C11 | H111 | 57.0° | 67.1° |
| H171 | C17 | C16 | H161 | 18.5° | 175.8° |
| H171 | C17 | C18 | H181 | 64.8° | 60.1° |
| H171 | C17 | C18 | H183 | 175.2° | 60.0° |
| H171 | C17 | C18 | H182 | 55.2° | 180.0° |
| H171 | C17 | C19 | H191 | 61.0° | 65.3° |
| H171 | C17 | C19 | H193 | 59.0° | 54.8° |
| H171 | C17 | C19 | H192 | 179.0° | 174.7° |
| H221 | C22 | C50 | H501 | 73.6° | 59.9° |
| H221 | C22 | N21 | H211 | 159.3° | 149.4° |
| H261 | C26 | C25 | H251 | 165.4° | 175.0° |
| H262 | C26 | C25 | H251 | 75.1° | 65.0° |
| H281 | C28 | C29 | H291 | 0.1° | 0.2° |
| H041 | C04 | C05 | H052 | 144.5° | 122.2° |
| H041 | C04 | C05 | H051 | 22.3° | 0.7° |
| H052 | C05 | C06 | H061 | 34.7° | 12.6° |
| H052 | C05 | C06 | H062 | 156.1° | 134.8° |
| H051 | C05 | C06 | H061 | 87.5° | 108.8° |
| H051 | C05 | C06 | H062 | 33.9° | 13.4° |
| H061 | C06 | C07 | H071 | 27.7° | 18.3° |
| H061 | C06 | C07 | H072 | 93.6° | 102.6° |
| H062 | C06 | C07 | H071 | 149.2° | 140.5° |
| H062 | C06 | C07 | H072 | 27.8° | 19.7° |
| H111 | C11 | C12 | H122 | 60.8° | 175.3° |
| H111 | C11 | C12 | H123 | 59.2° | 55.4° |
| H111 | C11 | C12 | H121 | 179.2° | 64.6° |
| H122 | C12 | H123 | H121 | 120.0° | 120.0° |
| H161 | C16 | N15 | H151 | 135.8° | 12.0° |
| H181 | C18 | H183 | H182 | 120.0° | 120.0° |
| H191 | C19 | H193 | H192 | 120.0° | 120.0° |
| H251 | C25 | N24 | H241 | 150.3° | 145.0° |
| H291 | C29 | C30 | H301 | 0.5° | 0.0° |
| H301 | C30 | C31 | H311 | 0.5° | 0.0° |
| H311 | C31 | C32 | H321 | 0.2° | 0.0° |
| H351 | C35 | C36 | H362 | 93.6° | 174.8° |
| H351 | C35 | C36 | H361 | 146.4° | 65.3° |
| H351 | C35 | N34 | H341 | 175.8° | 141.2° |
| H421 | C42 | C46 | H461 | 34.8° | 121.2° |
| H421 | C42 | C46 | H3 | 156.1° | 1.8° |
| H461 | C46 | H3 | C42 | 121.9° | 123.2° |
| H501 | C50 | C51 | H512 | 61.3° | 176.0° |
| H501 | C50 | C51 | H511 | 178.7° | 64.0° |
| H501 | C50 | C51 | H513 | 58.7° | 56.0° |
| H501 | C50 | C52 | H521 | 60.0° | 64.7° |
| H501 | C50 | C52 | H522 | 60.1° | 55.3° |
| H501 | C50 | C52 | H523 | 180.0° | 175.3° |
| H512 | C51 | H511 | H513 | 120.0° | 120.0° |
| H521 | C52 | H522 | H523 | 120.0° | 120.0° |
