@MOLECULE (2r)-1-(2,5-dimethoxy-4-nitrophenyl)-2-propanamine 33 33 0 0 0 SMALL USER_CHARGES @ATOM 1 O -1.5883 1.9856 -0.4231 O.3 1 UNL111 -0.0100 2 O 2.2356 -1.9382 0.0049 O.3 1 UNL111 0.1702 3 O 3.3332 1.8761 0.3654 O.2 1 UNL111 -0.2344 4 O 3.9132 -0.1895 0.3391 O.2 1 UNL111 -0.1119 5 N -4.4247 -1.7266 0.2509 N.3 1 UNL111 -1.0503 6 N 3.0681 0.6839 0.2609 N.pl3 1 UNL111 -0.0694 7 C -2.4392 -0.5705 -0.8027 C.3 1 UNL111 -0.8043 8 C -3.2428 -0.8808 0.4997 C.3 1 UNL111 0.4965 9 C -1.0151 -0.2663 -0.4866 C.ar 1 UNL111 0.1452 10 C -0.5825 1.0715 -0.3155 C.ar 1 UNL111 0.0856 11 C -0.0883 -1.2876 -0.3639 C.ar 1 UNL111 -0.2274 12 C -3.7015 0.4306 1.1435 C.3 1 UNL111 -0.9514 13 C 1.2658 -1.0075 -0.1100 C.ar 1 UNL111 -0.2563 14 C 0.7449 1.3651 -0.0690 C.ar 1 UNL111 -0.6172 15 C 1.6862 0.3257 0.0311 C.ar 1 UNL111 0.5108 16 C -1.2213 3.3549 -0.3170 C.3 1 UNL111 -0.7334 17 C 1.8592 -3.3002 -0.1787 C.3 1 UNL111 -0.8117 18 H -2.9177 0.2771 -1.3388 H 1 UNL111 0.2828 19 H -2.5049 -1.4275 -1.5007 H 1 UNL111 0.2483 20 H -2.5859 -1.4433 1.2147 H 1 UNL111 0.1360 21 H -0.4182 -2.3190 -0.4735 H 1 UNL111 0.2309 22 H -4.3245 0.2318 2.0245 H 1 UNL111 0.2840 23 H -4.2922 1.0439 0.4541 H 1 UNL111 0.2717 24 H -2.8422 1.0340 1.4611 H 1 UNL111 0.2605 25 H 1.0855 2.3971 0.0548 H 1 UNL111 0.3464 26 H -4.1911 -2.6098 -0.1674 H 1 UNL111 0.3908 27 H -5.1254 -1.2667 -0.3041 H 1 UNL111 0.4025 28 H -0.5385 3.6427 -1.1227 H 1 UNL111 0.2307 29 H -0.8010 3.5779 0.6700 H 1 UNL111 0.2588 30 H -2.1900 3.8572 -0.4386 H 1 UNL111 0.2672 31 H 1.1607 -3.6250 0.5971 H 1 UNL111 0.2863 32 H 2.8264 -3.8124 -0.0592 H 1 UNL111 0.3143 33 H 1.4624 -3.4740 -1.1828 H 1 UNL111 0.2584 @BOND 1 19 7 1 2 18 7 1 3 33 17 1 4 28 16 1 5 7 9 1 6 7 8 1 7 9 11 ar 8 9 10 ar 9 21 11 1 10 30 16 1 11 1 10 1 12 1 16 1 13 11 13 ar 14 10 14 ar 15 16 29 1 16 27 5 1 17 26 5 1 18 17 32 1 19 17 2 1 20 17 31 1 21 13 2 1 22 13 15 ar 23 14 15 ar 24 14 25 1 25 15 6 1 26 5 8 1 27 6 4 2 28 6 3 2 29 23 12 1 30 8 12 1 31 8 20 1 32 12 24 1 33 12 22 1