HMDB0252643 RDKit 3D Gardiquimod 46 48 0 0 0 0 0 0 0 0999 V2000 5.9117 0.0585 1.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6969 0.8235 0.6461 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5415 -0.0500 0.7646 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3533 0.7039 0.3011 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 -0.1692 0.4125 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0248 -1.2262 1.2011 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1802 -1.7890 1.0368 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7957 -2.8871 1.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0686 -3.6263 2.5716 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0370 -3.2312 1.2237 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7041 -2.5168 0.3004 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9769 -2.9208 -0.0513 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6696 -2.2034 -0.9996 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0982 -1.0974 -1.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8138 -0.6778 -1.2423 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1489 -1.4079 -0.2991 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8605 -1.0379 0.0786 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0201 -0.0443 -0.2930 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2113 1.0126 -1.2273 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7312 2.3133 -0.6924 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0519 2.2738 0.0081 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9900 3.1696 -1.9632 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2031 2.9874 0.0970 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5310 0.6444 1.8182 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5642 -0.2094 0.2445 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6641 -0.8943 1.6116 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7961 1.1482 -0.4154 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5866 1.7142 1.3241 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6734 -0.8079 0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2422 1.5068 1.0583 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6102 1.0210 -0.7026 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6539 -4.3400 2.3305 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2501 -3.4633 3.5876 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4679 -3.7824 0.3828 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6687 -2.5220 -1.2751 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6420 -0.5368 -2.3304 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4606 0.1787 -1.7339 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7180 0.7610 -2.1516 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8635 1.3049 -1.6092 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1335 1.4058 0.6941 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1288 3.2218 0.6023 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8779 2.3149 -0.7237 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0817 3.2223 -2.5785 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4254 4.1310 -1.6892 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7462 2.5845 -2.5302 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1134 2.9392 1.0406 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 20 22 1 0 20 23 1 0 18 5 1 0 17 7 1 0 16 11 1 0 1 24 1 0 1 25 1 0 1 26 1 0 2 27 1 0 2 28 1 0 3 29 1 0 4 30 1 0 4 31 1 0 9 32 1 0 9 33 1 0 12 34 1 0 13 35 1 0 14 36 1 0 15 37 1 0 19 38 1 0 19 39 1 0 21 40 1 0 21 41 1 0 21 42 1 0 22 43 1 0 22 44 1 0 22 45 1 0 23 46 1 0 M END