@MOLECULE (1-isobutyl-2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1h-indol-3-yl)acetic acid 46 47 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.6050 -2.8435 -1.3544 O.2 1 UNL1111111111 -0.4977 2 O 4.8104 -0.7787 -0.2401 O.3 1 UNL1111111111 -0.5811 3 O 3.4315 -0.3793 1.4565 O.2 1 UNL1111111111 -0.5131 4 N -0.4050 1.2716 0.4432 N.ar 1 UNL1111111111 -0.2221 5 C -2.4445 -1.9038 0.3959 C.3 1 UNL1111111111 0.1445 6 C -2.3817 -0.3548 0.2617 C.3 1 UNL1111111111 -0.3146 7 C -0.9756 0.0669 0.0877 C.ar 1 UNL1111111111 0.1095 8 C -1.6739 -2.5712 -0.7604 C.3 1 UNL1111111111 -0.4095 9 C 0.0310 -0.7558 -0.4407 C.ar 1 UNL1111111111 -0.2871 10 C -0.2339 -2.1075 -0.8834 C.2 1 UNL1111111111 0.5288 11 C 1.2539 -0.0288 -0.3902 C.ar 1 UNL1111111111 -0.0351 12 C 0.9697 1.2237 0.1603 C.ar 1 UNL1111111111 0.0541 13 C -3.9176 -2.3360 0.3290 C.3 1 UNL1111111111 -0.4708 14 C -1.8476 -2.3307 1.7421 C.3 1 UNL1111111111 -0.4711 15 C -1.1183 2.4075 1.0075 C.3 1 UNL1111111111 -0.1078 16 C -1.6862 3.3933 -0.0496 C.3 1 UNL1111111111 -0.0791 17 C 2.5664 -0.5316 -0.8361 C.3 1 UNL1111111111 -0.3310 18 C 1.9249 2.2973 0.4896 C.3 1 UNL1111111111 -0.4419 19 C -2.7119 2.7148 -0.9581 C.3 1 UNL1111111111 -0.4568 20 C -0.5759 4.0233 -0.8912 C.3 1 UNL1111111111 -0.4573 21 C 3.5662 -0.5437 0.2738 C.2 1 UNL1111111111 0.6637 22 H -2.8535 0.1137 1.1469 H 1 UNL1111111111 0.1535 23 H -2.9899 -0.0368 -0.6120 H 1 UNL1111111111 0.1606 24 H -2.1782 -2.3702 -1.7270 H 1 UNL1111111111 0.1675 25 H -1.6928 -3.6735 -0.6431 H 1 UNL1111111111 0.1751 26 H -4.3808 -2.0617 -0.6239 H 1 UNL1111111111 0.1441 27 H -4.0157 -3.4221 0.4402 H 1 UNL1111111111 0.1515 28 H -4.5061 -1.8754 1.1292 H 1 UNL1111111111 0.1451 29 H -1.8571 -3.4197 1.8588 H 1 UNL1111111111 0.1514 30 H -0.8013 -2.0058 1.8355 H 1 UNL1111111111 0.1672 31 H -2.3976 -1.9019 2.5848 H 1 UNL1111111111 0.1436 32 H -0.4349 2.9602 1.6954 H 1 UNL1111111111 0.1559 33 H -1.9559 2.0297 1.6408 H 1 UNL1111111111 0.1484 34 H -2.2029 4.2071 0.5218 H 1 UNL1111111111 0.1356 35 H 2.9521 0.0571 -1.7017 H 1 UNL1111111111 0.1894 36 H 2.4640 -1.5801 -1.2428 H 1 UNL1111111111 0.2304 37 H 2.5931 1.9726 1.3125 H 1 UNL1111111111 0.1851 38 H 2.5693 2.5382 -0.3708 H 1 UNL1111111111 0.1636 39 H 1.4540 3.2334 0.8116 H 1 UNL1111111111 0.1514 40 H -3.1640 3.4351 -1.6501 H 1 UNL1111111111 0.1494 41 H -2.2448 1.9326 -1.5717 H 1 UNL1111111111 0.1595 42 H -3.5254 2.2581 -0.3858 H 1 UNL1111111111 0.1416 43 H -0.9885 4.6927 -1.6549 H 1 UNL1111111111 0.1484 44 H 0.1147 4.6139 -0.2808 H 1 UNL1111111111 0.1425 45 H 0.0116 3.2583 -1.4176 H 1 UNL1111111111 0.1639 46 H 5.5161 -0.8369 0.4444 H 1 UNL1111111111 0.3508 @BOND 1 1 10 2 2 2 21 1 3 2 46 1 4 3 21 2 5 4 7 ar 6 4 12 ar 7 4 15 1 8 5 6 1 9 5 8 1 10 5 13 1 11 5 14 1 12 6 7 1 13 6 22 1 14 6 23 1 15 7 9 ar 16 8 10 1 17 8 24 1 18 8 25 1 19 9 10 1 20 9 11 ar 21 11 12 ar 22 11 17 1 23 12 18 1 24 13 26 1 25 13 27 1 26 13 28 1 27 14 29 1 28 14 30 1 29 14 31 1 30 15 16 1 31 15 32 1 32 15 33 1 33 16 19 1 34 16 20 1 35 16 34 1 36 17 21 1 37 17 35 1 38 17 36 1 39 18 37 1 40 18 38 1 41 18 39 1 42 19 40 1 43 19 41 1 44 19 42 1 45 20 43 1 46 20 44 1 47 20 45 1