@MOLECULE 2-benzyl-4-(diethylamino)butanoic acid 41 41 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.5189 1.3947 1.5181 O.3 1 UNL111111111 -0.5622 2 O 0.7245 2.8115 -0.1825 O.2 1 UNL111111111 -0.5235 3 N -2.9535 -0.2483 0.0194 N.3 1 UNL111111111 -0.4450 4 C -0.1224 0.5489 -0.5867 C.3 1 UNL111111111 -0.1660 5 C -1.3612 1.0025 -1.3733 C.3 1 UNL111111111 -0.2744 6 C -2.5919 1.1115 -0.4482 C.3 1 UNL111111111 -0.1153 7 C 0.9826 0.0534 -1.5354 C.3 1 UNL111111111 -0.2908 8 C -3.8769 -0.9246 -0.9235 C.3 1 UNL111111111 -0.0899 9 C -3.4854 -0.2345 1.4046 C.3 1 UNL111111111 -0.0902 10 C 2.1715 -0.4297 -0.7611 C.ar 1 UNL111111111 0.0068 11 C 0.4124 1.7141 0.2011 C.2 1 UNL111111111 0.6414 12 C -3.6768 -2.4429 -0.8137 C.3 1 UNL111111111 -0.4458 13 C -2.3100 -0.1944 2.3898 C.3 1 UNL111111111 -0.4458 14 C 3.3312 0.3451 -0.7013 C.ar 1 UNL111111111 -0.1727 15 C 2.1140 -1.6505 -0.0851 C.ar 1 UNL111111111 -0.1633 16 C 4.4278 -0.0982 0.0344 C.ar 1 UNL111111111 -0.1383 17 C 3.2117 -2.0891 0.6519 C.ar 1 UNL111111111 -0.1393 18 C 4.3692 -1.3148 0.7124 C.ar 1 UNL111111111 -0.1609 19 H -0.4225 -0.2853 0.1101 H 1 UNL111111111 0.2063 20 H -1.5706 0.2762 -2.1826 H 1 UNL111111111 0.1521 21 H -1.1744 1.9753 -1.8680 H 1 UNL111111111 0.1534 22 H -3.4219 1.6207 -0.9810 H 1 UNL111111111 0.1154 23 H -2.3419 1.7587 0.4212 H 1 UNL111111111 0.1442 24 H 0.5819 -0.7649 -2.1707 H 1 UNL111111111 0.1606 25 H 1.2645 0.8626 -2.2422 H 1 UNL111111111 0.1630 26 H -3.6400 -0.6029 -1.9615 H 1 UNL111111111 0.1317 27 H -4.9408 -0.6614 -0.7468 H 1 UNL111111111 0.1085 28 H -4.0718 -1.1633 1.5789 H 1 UNL111111111 0.1315 29 H -4.1775 0.6133 1.5900 H 1 UNL111111111 0.1089 30 H -4.2335 -2.9714 -1.5923 H 1 UNL111111111 0.1372 31 H -4.0032 -2.8272 0.1580 H 1 UNL111111111 0.1440 32 H -2.6135 -2.6984 -0.9157 H 1 UNL111111111 0.1609 33 H -2.6593 -0.2456 3.4241 H 1 UNL111111111 0.1381 34 H -1.7087 0.7164 2.2765 H 1 UNL111111111 0.1589 35 H -1.6283 -1.0375 2.2158 H 1 UNL111111111 0.1588 36 H 3.3775 1.3005 -1.2217 H 1 UNL111111111 0.1576 37 H 1.2091 -2.2535 -0.1258 H 1 UNL111111111 0.1540 38 H 5.3300 0.5082 0.0818 H 1 UNL111111111 0.1485 39 H 3.1632 -3.0372 1.1829 H 1 UNL111111111 0.1455 40 H 0.9133 2.1117 2.0706 H 1 UNL111111111 0.3493 41 H 5.2250 -1.6578 1.2886 H 1 UNL111111111 0.1469 @BOND 1 1 11 1 2 1 40 1 3 2 11 2 4 3 6 1 5 3 8 1 6 3 9 1 7 4 5 1 8 4 7 1 9 4 11 1 10 4 19 1 11 5 6 1 12 5 20 1 13 5 21 1 14 6 22 1 15 6 23 1 16 7 10 1 17 7 24 1 18 7 25 1 19 8 12 1 20 8 26 1 21 8 27 1 22 9 13 1 23 9 28 1 24 9 29 1 25 10 14 ar 26 10 15 ar 27 12 30 1 28 12 31 1 29 12 32 1 30 13 33 1 31 13 34 1 32 13 35 1 33 14 16 ar 34 14 36 1 35 15 17 ar 36 15 37 1 37 16 18 ar 38 16 38 1 39 17 18 ar 40 17 39 1 41 18 41 1