HMDB0249960 RDKit 3D Ethylketocyclazocine 47 50 0 0 0 0 0 0 0 0999 V2000 -2.9477 -2.2856 0.0401 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9056 -1.7067 -0.8545 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0880 -0.6454 -0.1934 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4113 -1.2249 1.0362 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9597 -1.7369 0.7133 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8980 -0.6405 0.4138 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8461 -1.1675 -0.5226 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1026 -0.3890 -0.7266 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0430 -0.1705 0.4117 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2120 0.9750 -0.1773 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1243 0.4153 -0.2871 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4973 1.3512 0.6802 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1129 1.9499 1.5673 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9526 1.6222 0.6259 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4997 2.8030 0.9823 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8606 2.9952 0.8979 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7182 2.0057 0.4528 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0981 2.2343 0.3781 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1529 0.7952 0.0879 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7840 0.5918 0.1693 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0754 -0.2588 -1.1097 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4721 0.6026 -2.2163 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9949 -1.7810 1.0204 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9086 -2.3281 -0.5115 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6927 -3.3756 0.2147 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1999 -2.4922 -1.1864 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3395 -1.2972 -1.7944 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3682 -0.5518 1.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0133 -2.1089 1.3462 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3559 -2.1921 1.6485 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9069 -2.4950 -0.0646 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1588 -2.2254 -0.2321 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4162 -1.3436 -1.5547 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6096 -0.6137 -1.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7469 -0.5173 1.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1261 -0.1772 0.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5043 1.4195 0.5102 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8031 1.7448 -0.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8208 0.9437 -0.9773 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8272 3.5973 1.3399 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2801 3.9387 1.1824 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5389 2.6092 -0.4511 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7926 0.0025 -0.2744 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4478 -1.1834 -1.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3345 0.9434 -2.8979 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1277 -0.0468 -2.8463 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1279 1.4146 -1.8588 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 7 8 1 0 8 9 1 0 9 10 1 0 6 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 17 19 1 0 19 20 2 0 11 21 1 0 21 22 1 0 20 3 1 0 21 3 1 0 10 8 1 0 20 14 1 0 1 23 1 0 1 24 1 0 1 25 1 0 2 26 1 0 2 27 1 0 4 28 1 0 4 29 1 0 5 30 1 0 5 31 1 0 7 32 1 0 7 33 1 0 8 34 1 0 9 35 1 0 9 36 1 0 10 37 1 0 10 38 1 0 11 39 1 0 15 40 1 0 16 41 1 0 18 42 1 0 19 43 1 0 21 44 1 0 22 45 1 0 22 46 1 0 22 47 1 0 M END