| 5zk9_ligand | |
| RDKit 3D | |
| 263264 0 0 0 0 0 0 0 0999 V2000 | |
| -3.2652 5.6303 7.9207 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.1066 4.4024 7.8798 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.0626 6.4239 9.1958 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.5569 6.3960 6.8213 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.2667 5.8213 5.6768 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -3.9788 6.6363 4.3954 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.2198 7.8446 4.3239 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.7890 5.8992 5.9451 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.5222 4.5508 5.9446 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.2225 3.6853 7.1678 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.0101 2.8902 7.0227 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.8569 1.8401 6.2087 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.8566 1.3795 5.4710 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| -3.6637 1.2511 6.1002 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.5367 5.8926 3.3201 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.5496 6.4134 1.9377 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -3.8891 5.2767 0.9383 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.8158 5.4094 -0.2818 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.2385 7.1170 1.4990 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -0.9972 6.2206 1.6832 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.0538 8.4649 2.1983 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.2242 6.7431 0.9368 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.3260 4.1099 1.5234 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.6499 2.9011 0.7451 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -5.4119 1.9809 1.7458 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.4462 2.2394 2.9575 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.3558 2.2776 0.1521 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
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| -4.4174 1.6830 -2.1132 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.0389 0.8724 1.2263 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.7062 -0.0928 2.0949 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -5.6567 -1.0115 2.7797 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| -7.9229 -0.8116 1.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| -7.5735 -2.6289 -0.2719 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.9091 -0.3571 -1.0239 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.4155 -3.0363 -1.5968 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.7634 -0.7681 -2.3531 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| -5.3832 -2.2121 2.1724 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.3838 -3.1458 2.6974 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -3.0010 -2.8417 2.0651 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.8137 -1.9088 1.2850 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.7850 -4.5945 2.3932 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.9631 -5.5030 3.1350 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.9834 -3.6786 2.4902 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.6721 -3.6696 1.8504 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -0.2639 -5.0834 1.3681 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| 0.3908 -3.0522 2.7708 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.7453 -3.9072 3.9976 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.8636 -3.2555 4.8087 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.2002 -4.0393 6.0010 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.1538 -3.6831 6.8872 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.9183 -2.6019 6.7084 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| 3.3265 -4.4153 7.9939 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.8376 -5.4046 -0.5886 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.8515 -5.0642 0.5772 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.1247 -4.2839 -0.1450 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.6561 -6.1959 0.0601 C 0 0 1 0 0 0 0 0 0 0 0 0 | |
| 0.8541 -7.1065 -0.8942 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.2138 -6.1894 -2.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.6700 -5.3333 -3.2242 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.2977 -6.4266 -2.1533 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.2346 -7.0288 1.2112 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.5409 -5.9871 -1.6189 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.2525 -5.1798 -2.6346 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 4.3500 -6.1211 -3.8603 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.3213 -7.3505 -3.7317 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.6783 -4.7511 -2.2196 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.7365 -3.4492 -1.4192 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| 5.9659 -1.5467 -2.9217 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.7901 -2.2090 -1.7781 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.6090 -5.6048 -5.1107 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.5363 -5.0641 -5.9723 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 3.1721 -3.5844 -5.6944 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.2581 -3.0427 -4.6017 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.2775 -5.9546 -6.0452 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.5221 -7.3663 -6.6317 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.9948 -7.3247 -8.0841 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.2464 -8.2031 -6.5375 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.7069 -2.8897 -6.7974 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.6031 -1.4275 -6.7787 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 1.3652 -0.9607 -5.9932 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.2422 -0.8564 -6.4746 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.6518 -0.8932 -8.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.7697 0.6384 -8.4259 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.4195 1.3518 -8.4098 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.7380 1.3111 -7.4535 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.6681 0.3008 -2.4869 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.6356 -0.6895 -4.6650 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.8836 0.0974 -2.5209 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.7471 -0.0376 -3.6956 C 0 0 1 0 0 0 0 0 0 0 0 0 | |
| -0.4232 -0.9501 -3.2795 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.2158 -3.0788 -2.1555 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.6673 -3.9924 -3.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.0010 -2.2291 -2.5472 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.2182 1.2949 -4.2596 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.0960 0.9178 -1.3911 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.8881 1.4071 -0.2477 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 2.6928 2.6532 -0.7111 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.3477 3.7993 -0.4244 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.7368 0.3000 0.4139 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.0130 0.5026 1.9141 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.8788 -0.6482 2.4335 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.6992 1.8334 2.2334 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.7790 2.3761 -1.5168 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.4023 3.4158 -2.3298 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 5.0839 2.8199 -3.5765 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.1753 3.4654 -4.6195 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.3835 4.2706 -1.5084 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.9966 5.4099 -2.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.5524 6.5582 -1.4915 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.4800 7.4918 -0.9359 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.8508 8.2736 -2.0366 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| 5.7010 1.6092 -3.4620 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.5009 5.8661 10.0275 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.9950 6.5738 9.3702 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.5645 7.3931 9.1429 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.6448 7.4052 6.9217 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.9400 4.7853 5.5383 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.9957 6.3837 6.9101 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.2850 6.5223 5.1877 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.3207 4.0216 5.0098 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.5955 4.7692 5.9518 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.0477 2.9935 7.3681 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.1115 4.3008 8.0675 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.2159 3.1305 7.6254 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.6175 0.8523 4.6304 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.7734 1.8153 5.4886 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.5801 0.4522 5.4794 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.8688 1.5737 6.6333 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.1592 4.9652 3.4625 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.3768 7.1248 1.8654 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.3293 7.3405 0.4264 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.2055 5.2082 1.3138 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.7558 6.1229 2.7473 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.7816 8.3339 3.2504 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.2628 9.0575 1.7262 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.9691 9.0644 2.1509 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.0719 6.0625 1.0719 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.0195 6.8156 -0.1371 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.5264 7.7314 1.2933 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.8243 4.2265 2.3959 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| -2.2626 2.4463 2.0425 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.8576 0.8122 1.6978 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| -5.8413 0.5896 0.2774 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.1295 0.4687 2.9394 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| -7.2425 -4.0808 -1.8382 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| -4.2890 -2.9961 3.7803 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| 3.6965 0.1712 -0.1043 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| 2.0570 0.4726 2.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.0312 -0.5727 3.5188 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.8674 -0.6482 1.9576 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.4114 -1.6190 2.2243 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.0014 1.8769 3.2865 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.5976 1.9766 1.6265 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.0256 2.6785 2.0603 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| 6.1863 3.6453 -1.1037 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| 5.9146 8.2321 -0.2548 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.5250 8.9070 -2.4897 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.0738 8.8563 -1.6849 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.4594 7.6731 -2.7751 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.0431 1.2096 -4.3349 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.4430 0.9178 -2.7659 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1 2 2 0 | |
| 1 3 1 0 | |
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| 120263 1 0 | |
| M CHG 3 13 1 58 1 119 1 | |
| M END | |
| > <_TriposChargeType> (1) | |
| GAST_HUCK | |
| $$$$ | |