HMDB0296908 RDKit 3D DG(PGD2/2:0/0:0) 73 73 0 0 0 0 0 0 0 0999 V2000 8.7686 -0.5449 1.4884 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4788 -1.5393 0.3854 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3472 -0.8810 -0.9522 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2356 0.1433 -1.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9433 -0.5333 -0.7185 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7559 0.3701 -0.7510 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9488 1.3805 0.2143 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5492 -0.4148 -0.3732 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3181 0.0116 -0.5356 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0754 -0.7385 -0.1727 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2978 -2.0703 0.2965 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9964 -2.9449 -0.2178 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5552 -2.2944 1.5352 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1342 -1.0044 1.8685 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5282 -1.2597 1.7923 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2564 -0.0168 0.8256 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9549 0.6771 0.2181 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6179 1.6742 -0.7942 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9110 2.9588 -0.7375 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6334 3.5925 0.3715 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9007 4.2115 -0.2191 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8046 3.2348 -0.8758 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3166 2.2094 0.0519 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0540 2.2249 1.2632 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1316 1.1756 -0.4487 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6237 0.1867 0.4574 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4568 -0.7813 -0.3537 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.4881 0.0318 -1.0955 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8032 1.0229 -1.8202 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0063 -1.8102 0.4125 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7055 -3.1403 0.2126 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3280 -4.1808 1.0662 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9002 -3.4370 -0.7011 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8800 0.0307 1.7942 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6003 0.1164 1.1609 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0791 -1.1415 2.3757 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6155 -2.1656 0.6056 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3637 -2.2078 0.3288 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0569 -1.6898 -1.6785 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3127 -0.4430 -1.2889 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4318 0.9839 -0.3239 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1961 0.4847 -2.0821 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9379 -1.0716 0.2558 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7990 -1.3452 -1.4898 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6274 0.8990 -1.7159 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6831 2.2644 -0.1114 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6830 -1.3818 0.0589 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1620 0.9849 -0.9651 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4719 -0.7058 -1.1416 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1594 -3.1482 1.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1967 -2.5482 2.4074 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1155 -0.6544 2.9057 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7176 -2.0365 1.2384 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 0.7403 1.3085 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5955 -0.0909 -0.2794 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5691 1.1127 1.0082 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0658 1.3733 -1.7198 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5936 3.6109 -1.5809 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0462 4.5213 0.7069 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9052 2.9868 1.2162 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6358 5.0236 -0.9247 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4630 4.7101 0.6069 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6799 3.7918 -1.2935 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2304 2.7683 -1.7156 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7702 -0.3586 0.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2813 0.6621 1.2004 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7690 -1.2453 -1.1107 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0850 -0.5871 -1.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1296 0.5145 -0.3286 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1956 1.0667 -2.7238 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6845 -4.4362 1.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4797 -5.1001 0.4436 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3137 -3.8024 1.3978 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 1 0 6 7 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 27 30 1 0 30 31 1 0 31 32 1 0 31 33 2 0 16 10 1 0 1 34 1 0 1 35 1 0 1 36 1 0 2 37 1 0 2 38 1 0 3 39 1 0 3 40 1 0 4 41 1 0 4 42 1 0 5 43 1 0 5 44 1 0 6 45 1 6 7 46 1 0 8 47 1 0 9 48 1 0 10 49 1 6 13 50 1 0 13 51 1 0 14 52 1 1 15 53 1 0 16 54 1 1 17 55 1 0 17 56 1 0 18 57 1 0 19 58 1 0 20 59 1 0 20 60 1 0 21 61 1 0 21 62 1 0 22 63 1 0 22 64 1 0 26 65 1 0 26 66 1 0 27 67 1 6 28 68 1 0 28 69 1 0 29 70 1 0 32 71 1 0 32 72 1 0 32 73 1 0 M END