@MOLECULE 10,16-dimethoxy-18-methyl-BLAH-17-one 38 41 0 0 0 SMALL USER_CHARGES @ATOM 1 O -4.3429 0.2047 0.2287 O.3 1 UNL11111111 -0.3338 2 O -3.5335 2.4183 0.1378 O.3 1 UNL11111111 -0.3437 3 O -2.4112 -2.1485 0.0688 O.3 1 UNL11111111 -0.1957 4 O 3.7338 1.6800 0.1551 O.3 1 UNL11111111 -0.3277 5 O -0.0676 -2.8091 -0.4838 O.2 1 UNL11111111 -0.4521 6 N 1.0995 1.0551 -0.3336 N.4 1 UNL11111111 -0.3315 7 C -0.2532 0.7842 -0.1914 C.3 1 UNL11111111 0.3401 8 C -0.7038 -0.5579 -0.1396 C.3 1 UNL11111111 -0.3846 9 C 2.0577 0.0579 -0.1204 C.3 1 UNL11111111 0.1563 10 C 1.6694 -1.2875 -0.1027 C.3 1 UNL11111111 -0.1883 11 C 0.2455 -1.6593 -0.2684 C.2 1 UNL11111111 0.5069 12 C -2.0890 -0.8477 0.0108 C.3 1 UNL11111111 0.3244 13 C -1.1650 1.8730 -0.0956 C.3 1 UNL11111111 -0.4107 14 C -2.9630 0.2193 0.0880 C.3 1 UNL11111111 -0.1501 15 C -2.4909 1.5441 0.0330 C.3 1 UNL11111111 0.3073 16 C 3.4353 0.3480 0.1137 C.3 1 UNL11111111 0.1393 17 C 1.5276 2.3746 -0.8109 C.3 1 UNL11111111 -0.2242 18 C 2.6096 -2.3099 0.0801 C.3 1 UNL11111111 -0.0934 19 C -4.7200 1.5935 0.2586 C.3 1 UNL11111111 0.1611 20 C 4.3593 -0.6669 0.2905 C.3 1 UNL11111111 -0.2229 21 C 3.9452 -2.0053 0.2653 C.3 1 UNL11111111 -0.1622 22 C -3.8020 -2.4359 0.2297 C.3 1 UNL11111111 -0.2280 23 C 5.0634 2.0345 0.5075 C.3 1 UNL11111111 -0.1999 24 H -0.8409 2.9045 -0.0876 H 1 UNL11111111 0.1897 25 H 2.4137 2.2838 -1.4687 H 1 UNL11111111 0.1641 26 H 1.7849 3.0336 0.0392 H 1 UNL11111111 0.1583 27 H 0.7410 2.8565 -1.4198 H 1 UNL11111111 0.1589 28 H 2.2631 -3.3485 0.0689 H 1 UNL11111111 0.1825 29 H -5.1681 1.8056 1.2387 H 1 UNL11111111 0.1372 30 H -5.3508 1.7951 -0.6178 H 1 UNL11111111 0.1370 31 H 5.4103 -0.4462 0.4562 H 1 UNL11111111 0.1602 32 H 4.6802 -2.7960 0.3988 H 1 UNL11111111 0.1564 33 H -3.8027 -3.5338 0.2482 H 1 UNL11111111 0.1562 34 H -4.3808 -2.0608 -0.6207 H 1 UNL11111111 0.1464 35 H -4.1801 -2.0284 1.1725 H 1 UNL11111111 0.1450 36 H 5.7735 1.6943 -0.2525 H 1 UNL11111111 0.1336 37 H 5.3234 1.6534 1.5003 H 1 UNL11111111 0.1373 38 H 5.0112 3.1316 0.5215 H 1 UNL11111111 0.1508 @BOND 1 25 17 1 2 27 17 1 3 17 6 1 4 17 26 1 5 34 22 1 6 30 19 1 7 5 11 2 8 6 7 1 9 6 9 1 10 11 8 1 11 11 10 1 12 36 23 1 13 7 8 1 14 7 13 1 15 8 12 1 16 9 10 1 17 9 16 1 18 10 18 1 19 13 24 1 20 13 15 1 21 12 3 1 22 12 14 1 23 15 14 1 24 15 2 1 25 3 22 1 26 28 18 1 27 18 21 1 28 14 1 1 29 16 4 1 30 16 20 1 31 2 19 1 32 4 23 1 33 1 19 1 34 22 33 1 35 22 35 1 36 19 29 1 37 21 20 1 38 21 32 1 39 20 31 1 40 23 38 1 41 23 37 1