HMDB0033524 RDKit 3D Lambertine 44 48 0 0 0 0 0 0 0 0999 V2000 -6.0801 2.0167 0.3636 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3458 0.8285 0.1282 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9585 0.8995 0.1586 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3018 2.1060 0.4136 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9241 2.1431 0.4377 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1959 0.9946 0.2113 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8520 -0.1758 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2453 -0.2579 -0.0707 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9215 -1.4231 -0.3174 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3127 -1.8899 -1.5824 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1009 -1.3902 -0.3304 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3202 -1.2809 -0.0584 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0497 -2.5400 0.0389 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5038 -2.4658 -0.1589 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1366 -1.1727 0.0746 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5169 -1.1503 0.1528 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1737 0.0263 0.3529 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4737 1.1930 0.4777 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0976 1.2105 0.4055 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4429 0.0229 0.2044 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9680 -0.0299 0.1335 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2666 1.0808 0.2974 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4232 2.1962 0.6692 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6639 1.7014 0.2042 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5294 0.3157 0.4671 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8558 2.3511 1.3873 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1546 1.8962 0.1706 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7279 2.8307 -0.3173 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9074 2.9945 0.5883 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4105 3.0726 0.6342 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0891 -2.9930 -1.6049 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4244 -1.8262 -1.6237 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8349 -1.3532 -2.4237 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4948 -2.2253 0.2805 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2520 -1.6742 -1.3923 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6161 -3.2310 -0.7234 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8389 -2.9262 1.0697 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7753 -2.8133 -1.1936 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9990 -3.2216 0.5247 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0766 -2.0819 0.0532 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6070 2.1488 0.5085 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7220 2.0337 0.4906 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4713 2.1589 0.7888 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7175 1.9007 -0.8818 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 7 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 18 23 1 0 23 24 1 0 24 25 1 0 8 3 1 0 21 12 1 0 22 6 1 0 20 15 1 0 25 17 1 0 1 26 1 0 1 27 1 0 1 28 1 0 4 29 1 0 5 30 1 0 10 31 1 0 10 32 1 0 10 33 1 0 11 34 1 0 11 35 1 0 13 36 1 0 13 37 1 0 14 38 1 0 14 39 1 0 16 40 1 0 19 41 1 0 22 42 1 0 24 43 1 0 24 44 1 0 M END