@MOLECULE 3-methoxytyramine 25 25 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.0543 1.5926 0.0644 O.3 1 UNL1111111111 -0.3021 2 O 2.9275 -1.1136 -0.3443 O.3 1 UNL1111111111 -0.4793 3 N -4.6677 0.5368 -0.4808 N.3 1 UNL1111111111 -0.6419 4 C -2.4736 0.1408 0.7101 C.3 1 UNL1111111111 -0.3364 5 C -1.0413 -0.1983 0.4450 C.ar 1 UNL1111111111 0.0240 6 C -3.2311 0.2582 -0.6346 C.3 1 UNL1111111111 -0.0864 7 C -0.0861 0.8152 0.3672 C.ar 1 UNL1111111111 -0.2353 8 C -0.6673 -1.5303 0.2592 C.ar 1 UNL1111111111 -0.1840 9 C 1.2511 0.5002 0.1037 C.ar 1 UNL1111111111 0.1830 10 C 1.6141 -0.8454 -0.0838 C.ar 1 UNL1111111111 0.1361 11 C 0.6608 -1.8562 -0.0063 C.ar 1 UNL1111111111 -0.2207 12 C 3.4376 1.3888 -0.1961 C.3 1 UNL1111111111 -0.1915 13 H -2.9480 -0.6295 1.3487 H 1 UNL1111111111 0.1496 14 H -2.5613 1.0874 1.2781 H 1 UNL1111111111 0.1516 15 H -3.1182 -0.6812 -1.2197 H 1 UNL1111111111 0.1459 16 H -2.7822 1.0665 -1.2542 H 1 UNL1111111111 0.1495 17 H -0.3630 1.8586 0.5087 H 1 UNL1111111111 0.1757 18 H -1.4132 -2.3193 0.3205 H 1 UNL1111111111 0.1570 19 H 0.9489 -2.8939 -0.1511 H 1 UNL1111111111 0.1571 20 H -4.8384 1.4118 -0.0146 H 1 UNL1111111111 0.2469 21 H -5.1477 -0.1953 0.0140 H 1 UNL1111111111 0.2455 22 H 3.0842 -2.0846 -0.4332 H 1 UNL1111111111 0.3248 23 H 3.5866 0.9397 -1.1837 H 1 UNL1111111111 0.1435 24 H 3.8960 0.7764 0.5874 H 1 UNL1111111111 0.1432 25 H 3.8280 2.4143 -0.1698 H 1 UNL1111111111 0.1442 @BOND 1 1 9 1 2 1 12 1 3 2 10 1 4 2 22 1 5 3 6 1 6 3 20 1 7 3 21 1 8 4 5 1 9 4 6 1 10 4 13 1 11 4 14 1 12 5 7 ar 13 5 8 ar 14 6 15 1 15 6 16 1 16 7 9 ar 17 7 17 1 18 8 11 ar 19 8 18 1 20 9 10 ar 21 10 11 ar 22 11 19 1 23 12 23 1 24 12 24 1 25 12 25 1