@MOLECULE seproxetine 37 38 0 0 0 SMALL GASTEIGER @ATOM 1 F -5.0758 -0.9853 0.5774 F 1 UNL1111111111 -0.2110 2 F -4.6468 1.0170 1.0527 F 1 UNL1111111111 -0.2087 3 F -4.9238 0.4548 -0.9519 F 1 UNL1111111111 -0.2101 4 O 1.0453 -1.3010 -0.5516 O.3 1 UNL1111111111 -0.3483 5 N 5.5772 -2.4490 0.2692 N.3 1 UNL1111111111 -0.6425 6 C 2.1190 -0.8491 0.2897 C.3 1 UNL1111111111 0.0964 7 C 3.2786 -1.7433 -0.1701 C.3 1 UNL1111111111 -0.3064 8 C 2.3955 0.6056 0.0405 C.ar 1 UNL1111111111 -0.0687 9 C 4.4807 -1.5962 0.7767 C.3 1 UNL1111111111 -0.0962 10 C -0.2135 -0.8952 -0.2782 C.ar 1 UNL1111111111 0.3067 11 C 2.7998 1.4258 1.0943 C.ar 1 UNL1111111111 -0.1668 12 C 2.2534 1.1316 -1.2435 C.ar 1 UNL1111111111 -0.1310 13 C -1.1659 -1.4766 -1.1362 C.ar 1 UNL1111111111 -0.2691 14 C -0.5874 -0.0025 0.7289 C.ar 1 UNL1111111111 -0.3193 15 C 3.0625 2.7738 0.8616 C.ar 1 UNL1111111111 -0.1400 16 C 2.5105 2.4814 -1.4718 C.ar 1 UNL1111111111 -0.1411 17 C -2.8868 -0.2568 0.0380 C.ar 1 UNL1111111111 -0.2252 18 C -2.5005 -1.1524 -0.9691 C.ar 1 UNL1111111111 -0.0207 19 C -1.9346 0.3141 0.8802 C.ar 1 UNL1111111111 -0.0068 20 C 2.9157 3.3019 -0.4204 C.ar 1 UNL1111111111 -0.1421 21 C -4.3408 0.0559 0.1812 C.3 1 UNL1111111111 0.5665 22 H 1.8432 -1.0574 1.3485 H 1 UNL1111111111 0.1371 23 H 3.5841 -1.4865 -1.2062 H 1 UNL1111111111 0.1782 24 H 2.9426 -2.7977 -0.2215 H 1 UNL1111111111 0.1623 25 H 4.1872 -1.8414 1.8196 H 1 UNL1111111111 0.1077 26 H 4.8355 -0.5396 0.7723 H 1 UNL1111111111 0.1482 27 H 2.9109 1.0193 2.0969 H 1 UNL1111111111 0.1492 28 H 1.9375 0.4852 -2.0630 H 1 UNL1111111111 0.1653 29 H -0.8397 -2.1667 -1.9108 H 1 UNL1111111111 0.1791 30 H 0.1519 0.4595 1.3764 H 1 UNL1111111111 0.1745 31 H 3.3799 3.4154 1.6815 H 1 UNL1111111111 0.1501 32 H 2.3944 2.8944 -2.4727 H 1 UNL1111111111 0.1541 33 H 5.3483 -3.4273 0.3169 H 1 UNL1111111111 0.2476 34 H 6.4381 -2.2872 0.7630 H 1 UNL1111111111 0.2499 35 H -3.2497 -1.6014 -1.6268 H 1 UNL1111111111 0.1652 36 H -2.2229 1.0151 1.6675 H 1 UNL1111111111 0.1653 37 H 3.1170 4.3562 -0.6001 H 1 UNL1111111111 0.1506 @BOND 1 1 21 1 2 2 21 1 3 3 21 1 4 4 6 1 5 4 10 1 6 5 9 1 7 5 33 1 8 5 34 1 9 6 7 1 10 6 8 1 11 6 22 1 12 7 9 1 13 7 23 1 14 7 24 1 15 8 11 ar 16 8 12 ar 17 9 25 1 18 9 26 1 19 10 13 ar 20 10 14 ar 21 11 15 ar 22 11 27 1 23 12 16 ar 24 12 28 1 25 13 18 ar 26 13 29 1 27 14 19 ar 28 14 30 1 29 15 20 ar 30 15 31 1 31 16 20 ar 32 16 32 1 33 17 18 ar 34 17 19 ar 35 17 21 1 36 18 35 1 37 19 36 1 38 20 37 1