@MOLECULE (7s,7s,8r,8r)-magnolin 58 61 0 0 0 SMALL USER_CHARGES @ATOM 1 O -0.7512 -0.4021 2.2293 O.3 1 UNL11111111 -0.3911 2 O 1.8566 2.3098 1.1904 O.3 1 UNL11111111 -0.4074 3 O -4.4794 -2.6322 0.1905 O.3 1 UNL11111111 -0.3080 4 O -5.0493 2.0580 -1.1249 O.3 1 UNL11111111 -0.3150 5 O 5.5102 -2.2484 0.1636 O.3 1 UNL11111111 -0.3078 6 O -6.1070 -0.6421 -1.1638 O.3 1 UNL11111111 -0.3228 7 O 6.8928 -0.3751 -1.4370 O.3 1 UNL11111111 -0.3247 8 C -0.2326 1.2879 0.6229 C.3 1 UNL11111111 -0.1837 9 C 0.8803 0.2096 0.6112 C.3 1 UNL11111111 -0.1823 10 C -1.3147 0.7228 1.5704 C.3 1 UNL11111111 0.0979 11 C 2.0962 0.9043 1.2627 C.3 1 UNL11111111 0.1054 12 C 0.3097 -0.9399 1.4458 C.3 1 UNL11111111 -0.0485 13 C 0.4558 2.5519 1.1537 C.3 1 UNL11111111 -0.0478 14 C -2.5660 0.3364 0.8231 C.ar 1 UNL11111111 0.0466 15 C 3.3728 0.6159 0.5293 C.ar 1 UNL11111111 -0.0458 16 C -3.2762 1.3304 0.1492 C.ar 1 UNL11111111 -0.3293 17 C -2.9991 -0.9823 0.8041 C.ar 1 UNL11111111 -0.2886 18 C 3.9383 -0.6555 0.6538 C.ar 1 UNL11111111 -0.2293 19 C 3.9861 1.5810 -0.2605 C.ar 1 UNL11111111 -0.1396 20 C -4.1755 -1.3130 0.1157 C.ar 1 UNL11111111 0.2443 21 C -4.4508 0.9941 -0.5320 C.ar 1 UNL11111111 0.2538 22 C 5.1178 -0.9605 -0.0255 C.ar 1 UNL11111111 0.1693 23 C 5.1728 1.2876 -0.9356 C.ar 1 UNL11111111 -0.2318 24 C -4.9348 -0.3226 -0.5202 C.ar 1 UNL11111111 -0.0848 25 C 5.7404 0.0239 -0.8237 C.ar 1 UNL11111111 0.1162 26 C -5.2947 -3.1762 -0.8425 C.3 1 UNL11111111 -0.1907 27 C -5.8704 1.7953 -2.2584 C.3 1 UNL11111111 -0.1898 28 C 6.7960 -2.6314 -0.3029 C.3 1 UNL11111111 -0.1952 29 C -7.2308 -0.5212 -0.2858 C.3 1 UNL11111111 -0.2112 30 C 7.5566 0.5844 -2.2468 C.3 1 UNL11111111 -0.2011 31 H -0.6393 1.4574 -0.3944 H 1 UNL11111111 0.1611 32 H 1.1224 -0.1185 -0.4192 H 1 UNL11111111 0.1612 33 H -1.5688 1.4046 2.4154 H 1 UNL11111111 0.1544 34 H 2.1875 0.6644 2.3478 H 1 UNL11111111 0.1438 35 H 1.0068 -1.3624 2.1863 H 1 UNL11111111 0.1406 36 H -0.1041 -1.7486 0.8190 H 1 UNL11111111 0.1317 37 H 0.1450 2.8228 2.1768 H 1 UNL11111111 0.1282 38 H 0.3488 3.4249 0.4897 H 1 UNL11111111 0.1350 39 H -2.9376 2.3626 0.1421 H 1 UNL11111111 0.1787 40 H -2.4467 -1.7646 1.3249 H 1 UNL11111111 0.1947 41 H 3.4731 -1.4196 1.2743 H 1 UNL11111111 0.1739 42 H 3.5428 2.5739 -0.3518 H 1 UNL11111111 0.1739 43 H 5.6377 2.0578 -1.5441 H 1 UNL11111111 0.1610 44 H -6.3494 -3.0072 -0.6076 H 1 UNL11111111 0.1367 45 H -5.0471 -2.7627 -1.8247 H 1 UNL11111111 0.1424 46 H -5.0475 -4.2447 -0.7948 H 1 UNL11111111 0.1439 47 H -5.4594 1.0039 -2.8924 H 1 UNL11111111 0.1431 48 H -6.8811 1.5383 -1.9283 H 1 UNL11111111 0.1374 49 H -5.8613 2.7597 -2.7823 H 1 UNL11111111 0.1424 50 H 6.8880 -3.6527 0.0895 H 1 UNL11111111 0.1452 51 H 6.8204 -2.6347 -1.3982 H 1 UNL11111111 0.1414 52 H 7.5785 -1.9870 0.1096 H 1 UNL11111111 0.1403 53 H -7.1336 -1.2051 0.5635 H 1 UNL11111111 0.1363 54 H -7.3347 0.5088 0.0697 H 1 UNL11111111 0.1350 55 H -8.0727 -0.8043 -0.9262 H 1 UNL11111111 0.1424 56 H 7.8784 1.4450 -1.6519 H 1 UNL11111111 0.1352 57 H 8.4269 0.0195 -2.6064 H 1 UNL11111111 0.1486 58 H 6.9265 0.8908 -3.0875 H 1 UNL11111111 0.1345 @BOND 1 58 30 1 2 47 27 1 3 49 27 1 4 57 30 1 5 27 48 1 6 27 4 1 7 30 56 1 8 30 7 1 9 45 26 1 10 43 23 1 11 7 25 1 12 51 28 1 13 6 24 1 14 6 29 1 15 4 21 1 16 23 25 ar 17 23 19 ar 18 55 29 1 19 26 46 1 20 26 44 1 21 26 3 1 22 25 22 ar 23 21 24 ar 24 21 16 ar 25 24 20 ar 26 32 9 1 27 31 8 1 28 42 19 1 29 28 50 1 30 28 52 1 31 28 5 1 32 29 54 1 33 29 53 1 34 19 15 ar 35 22 5 1 36 22 18 ar 37 20 3 1 38 20 17 ar 39 39 16 1 40 16 14 ar 41 38 13 1 42 15 18 ar 43 15 11 1 44 9 8 1 45 9 11 1 46 9 12 1 47 8 13 1 48 8 10 1 49 18 41 1 50 17 14 ar 51 17 40 1 52 36 12 1 53 14 10 1 54 13 2 1 55 13 37 1 56 2 11 1 57 11 34 1 58 12 35 1 59 12 1 1 60 10 1 1 61 10 33 1