@MOLECULE [(1r,4r)-4-allyl-1,8-diethyl-2,3,4,9-tetrahydro-1h-carbazol-1-yl]acetic acid 51 53 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.2690 -3.4028 -0.4150 O.3 1 UNL1111111111 -0.5735 2 O 4.4574 -1.5827 -0.8930 O.2 1 UNL1111111111 -0.5080 3 N -0.9190 -1.2397 0.0103 N.ar 1 UNL1111111111 -0.3893 4 C 1.5580 -0.6340 0.1326 C.3 1 UNL1111111111 0.0865 5 C 2.3695 0.6841 0.1547 C.3 1 UNL1111111111 -0.2879 6 C 0.4315 2.1302 -0.6878 C.3 1 UNL1111111111 -0.0661 7 C 0.1199 -0.3079 -0.0963 C.ar 1 UNL1111111111 0.0747 8 C 1.9012 1.7004 -0.8950 C.3 1 UNL1111111111 -0.2711 9 C -0.3971 0.9234 -0.4693 C.ar 1 UNL1111111111 -0.1346 10 C 1.7539 -1.4014 1.4618 C.3 1 UNL1111111111 -0.2795 11 C 2.0213 -1.5277 -1.0512 C.3 1 UNL1111111111 -0.3733 12 C -1.8194 0.7815 -0.5776 C.ar 1 UNL1111111111 -0.0696 13 C 0.2785 3.0787 0.5222 C.3 1 UNL1111111111 -0.2978 14 C -2.1206 -0.5816 -0.2579 C.ar 1 UNL1111111111 0.0785 15 C 1.0612 -0.7350 2.6482 C.3 1 UNL1111111111 -0.4354 16 C -3.4382 -1.0700 -0.2508 C.ar 1 UNL1111111111 -0.0401 17 C -2.8620 1.6554 -0.9036 C.ar 1 UNL1111111111 -0.1264 18 C 3.3765 -2.1001 -0.7986 C.2 1 UNL1111111111 0.6532 19 C 0.9749 4.3783 0.2878 C.2 1 UNL1111111111 -0.0956 20 C -4.4406 -0.1732 -0.5752 C.ar 1 UNL1111111111 -0.1570 21 C -4.1560 1.1709 -0.8988 C.ar 1 UNL1111111111 -0.1763 22 C -3.7283 -2.4919 0.1093 C.3 1 UNL1111111111 -0.2577 23 C 1.7901 4.9391 1.1810 C.2 1 UNL1111111111 -0.3525 24 C -3.6475 -2.6843 1.6265 C.3 1 UNL1111111111 -0.4299 25 H 2.2979 1.1441 1.1598 H 1 UNL1111111111 0.1520 26 H 3.4456 0.4636 0.0049 H 1 UNL1111111111 0.1595 27 H 0.0833 2.6646 -1.6077 H 1 UNL1111111111 0.1424 28 H 2.0162 1.2773 -1.9103 H 1 UNL1111111111 0.1388 29 H 2.5563 2.5920 -0.8610 H 1 UNL1111111111 0.1465 30 H 1.3904 -2.4415 1.3506 H 1 UNL1111111111 0.1432 31 H 2.8386 -1.4932 1.6736 H 1 UNL1111111111 0.1491 32 H 2.0399 -0.9224 -1.9855 H 1 UNL1111111111 0.1908 33 H 1.2827 -2.3372 -1.2341 H 1 UNL1111111111 0.1821 34 H -0.8286 -2.1750 0.3304 H 1 UNL1111111111 0.3156 35 H 0.6429 2.5731 1.4380 H 1 UNL1111111111 0.1526 36 H -0.8022 3.2629 0.7082 H 1 UNL1111111111 0.1579 37 H 1.4557 0.2706 2.8381 H 1 UNL1111111111 0.1481 38 H -0.0183 -0.6260 2.4862 H 1 UNL1111111111 0.1522 39 H 1.2004 -1.3193 3.5648 H 1 UNL1111111111 0.1441 40 H -2.6437 2.6900 -1.1535 H 1 UNL1111111111 0.1535 41 H 0.7622 4.8484 -0.6721 H 1 UNL1111111111 0.1370 42 H -5.4785 -0.5007 -0.5818 H 1 UNL1111111111 0.1492 43 H -4.9841 1.8311 -1.1476 H 1 UNL1111111111 0.1483 44 H -3.0240 -3.1762 -0.4055 H 1 UNL1111111111 0.1413 45 H -4.7336 -2.7920 -0.2526 H 1 UNL1111111111 0.1494 46 H 4.1359 -3.8416 -0.2415 H 1 UNL1111111111 0.3535 47 H 2.2868 5.8823 1.0238 H 1 UNL1111111111 0.1401 48 H 2.0256 4.5027 2.1380 H 1 UNL1111111111 0.1446 49 H -4.3829 -2.0526 2.1412 H 1 UNL1111111111 0.1523 50 H -3.8476 -3.7233 1.9082 H 1 UNL1111111111 0.1432 51 H -2.6628 -2.4103 2.0195 H 1 UNL1111111111 0.1414 @BOND 1 1 18 1 2 1 46 1 3 2 18 2 4 3 7 ar 5 3 14 ar 6 3 34 1 7 4 5 1 8 4 7 1 9 4 10 1 10 4 11 1 11 5 8 1 12 5 25 1 13 5 26 1 14 6 8 1 15 6 9 1 16 6 13 1 17 6 27 1 18 7 9 ar 19 8 28 1 20 8 29 1 21 9 12 ar 22 10 15 1 23 10 30 1 24 10 31 1 25 11 18 1 26 11 32 1 27 11 33 1 28 12 14 ar 29 12 17 ar 30 13 19 1 31 13 35 1 32 13 36 1 33 14 16 ar 34 15 37 1 35 15 38 1 36 15 39 1 37 16 20 ar 38 16 22 1 39 17 21 ar 40 17 40 1 41 19 23 2 42 19 41 1 43 20 21 ar 44 20 42 1 45 21 43 1 46 22 24 1 47 22 44 1 48 22 45 1 49 23 47 1 50 23 48 1 51 24 49 1 52 24 50 1 53 24 51 1