@MOLECULE (r)-profenamine 46 48 0 0 0 SMALL GASTEIGER @ATOM 1 S 2.0522 1.0951 -1.3450 S.3 1 UNL1111 0.0982 2 N -2.8446 -0.8772 -0.2649 N.3 1 UNL1111 -0.4631 3 N 0.5058 -0.1800 1.0613 N.pl3 1 UNL1111 -0.4355 4 C -1.3799 -0.9329 -0.4543 C.3 1 UNL1111 0.0330 5 C -0.7423 -0.9697 0.9703 C.3 1 UNL1111 -0.0996 6 C -0.8607 -2.0929 -1.3143 C.3 1 UNL1111 -0.4968 7 C -3.4422 -2.1784 0.1172 C.3 1 UNL1111 -0.0795 8 C -3.5366 -0.2656 -1.4257 C.3 1 UNL1111 -0.0806 9 C 1.6732 -0.8399 0.5912 C.ar 1 UNL1111 0.1959 10 C 0.3313 1.2112 0.8157 C.ar 1 UNL1111 0.1887 11 C 2.4863 -0.3532 -0.4410 C.ar 1 UNL1111 -0.1873 12 C 0.9876 1.9126 -0.2038 C.ar 1 UNL1111 -0.1837 13 C -4.6957 -1.9183 0.9661 C.3 1 UNL1111 -0.4479 14 C -3.3337 1.2559 -1.3984 C.3 1 UNL1111 -0.4509 15 C 2.0560 -2.0136 1.2663 C.ar 1 UNL1111 -0.2046 16 C -0.5224 1.9099 1.6880 C.ar 1 UNL1111 -0.1868 17 C 3.6558 -1.0221 -0.7962 C.ar 1 UNL1111 -0.0969 18 C 0.7887 3.2828 -0.3602 C.ar 1 UNL1111 -0.1016 19 C 3.2138 -2.6843 0.8947 C.ar 1 UNL1111 -0.1084 20 C -0.7241 3.2734 1.5192 C.ar 1 UNL1111 -0.1096 21 C 4.0148 -2.1939 -0.1368 C.ar 1 UNL1111 -0.1887 22 C -0.0751 3.9616 0.4937 C.ar 1 UNL1111 -0.1844 23 H -1.0773 0.0317 -0.9489 H 1 UNL1111 0.1565 24 H -1.4694 -0.5530 1.7086 H 1 UNL1111 0.1727 25 H -0.5378 -2.0130 1.2846 H 1 UNL1111 0.1483 26 H -1.0589 -3.0708 -0.8671 H 1 UNL1111 0.1475 27 H -1.3163 -2.0823 -2.3102 H 1 UNL1111 0.1519 28 H 0.2257 -2.0126 -1.4548 H 1 UNL1111 0.1625 29 H -3.6940 -2.8096 -0.7604 H 1 UNL1111 0.1117 30 H -2.7096 -2.7553 0.7231 H 1 UNL1111 0.1318 31 H -3.1934 -0.6833 -2.3958 H 1 UNL1111 0.1125 32 H -4.6240 -0.4874 -1.3488 H 1 UNL1111 0.1336 33 H -4.4700 -1.2159 1.7798 H 1 UNL1111 0.1597 34 H -5.5015 -1.4701 0.3766 H 1 UNL1111 0.1428 35 H -5.0722 -2.8453 1.4064 H 1 UNL1111 0.1370 36 H -3.4868 1.6466 -0.3832 H 1 UNL1111 0.1624 37 H -2.3208 1.5421 -1.7012 H 1 UNL1111 0.1478 38 H -4.0389 1.7584 -2.0661 H 1 UNL1111 0.1405 39 H 1.4515 -2.3815 2.0938 H 1 UNL1111 0.1679 40 H -1.0222 1.3774 2.4964 H 1 UNL1111 0.1700 41 H 4.2990 -0.6386 -1.5912 H 1 UNL1111 0.1622 42 H 1.3019 3.8349 -1.1502 H 1 UNL1111 0.1616 43 H 3.5023 -3.5953 1.4178 H 1 UNL1111 0.1509 44 H -1.3911 3.8082 2.1942 H 1 UNL1111 0.1515 45 H 4.9219 -2.7222 -0.4203 H 1 UNL1111 0.1543 46 H -0.2394 5.0285 0.3654 H 1 UNL1111 0.1524 @BOND 1 1 11 1 2 1 12 1 3 2 4 1 4 2 7 1 5 2 8 1 6 3 5 1 7 3 9 1 8 3 10 1 9 4 5 1 10 4 6 1 11 4 23 1 12 5 24 1 13 5 25 1 14 6 26 1 15 6 27 1 16 6 28 1 17 7 13 1 18 7 29 1 19 7 30 1 20 8 14 1 21 8 31 1 22 8 32 1 23 9 11 ar 24 9 15 ar 25 10 12 ar 26 10 16 ar 27 11 17 ar 28 12 18 ar 29 13 33 1 30 13 34 1 31 13 35 1 32 14 36 1 33 14 37 1 34 14 38 1 35 15 19 ar 36 15 39 1 37 16 20 ar 38 16 40 1 39 17 21 ar 40 17 41 1 41 18 22 ar 42 18 42 1 43 19 21 ar 44 19 43 1 45 20 22 ar 46 20 44 1 47 21 45 1 48 22 46 1