@MOLECULE epinephrine 26 26 0 0 0 SMALL USER_CHARGES @ATOM 1 O -1.7361 1.4999 0.8541 O.3 1 UNL11111111 -0.5548 2 O 2.9154 1.7526 -0.3568 O.3 1 UNL11111111 -0.4466 3 O 3.9304 -0.7735 -0.2394 O.3 1 UNL11111111 -0.4942 4 N -3.7503 0.2162 -0.6430 N.3 1 UNL11111111 -0.5300 5 C -1.5827 0.1394 0.5017 C.3 1 UNL11111111 0.1510 6 C -0.1108 -0.1140 0.3221 C.ar 1 UNL11111111 -0.0386 7 C -2.3299 -0.1496 -0.8297 C.3 1 UNL11111111 -0.1785 8 C 0.7530 0.9519 0.0680 C.ar 1 UNL11111111 -0.1726 9 C 0.3693 -1.4214 0.4045 C.ar 1 UNL11111111 -0.1802 10 C 2.1086 0.6907 -0.1095 C.ar 1 UNL11111111 0.2019 11 C 1.7271 -1.6887 0.2236 C.ar 1 UNL11111111 -0.2232 12 C 2.5883 -0.6305 -0.0340 C.ar 1 UNL11111111 0.1314 13 C -4.5365 -0.8687 -0.0228 C.3 1 UNL11111111 -0.2775 14 H -2.0045 -0.4580 1.3428 H 1 UNL11111111 0.1286 15 H -2.1715 -1.2024 -1.1351 H 1 UNL11111111 0.1292 16 H -1.8938 0.4907 -1.6288 H 1 UNL11111111 0.1558 17 H 0.3801 1.9785 0.0208 H 1 UNL11111111 0.2003 18 H -0.3126 -2.2419 0.6140 H 1 UNL11111111 0.1522 19 H -4.1695 0.4952 -1.5288 H 1 UNL11111111 0.2569 20 H 2.0990 -2.7065 0.2850 H 1 UNL11111111 0.1568 21 H -2.6647 1.7740 0.6591 H 1 UNL11111111 0.3419 22 H -4.1304 -1.0969 0.9770 H 1 UNL11111111 0.1492 23 H -4.5631 -1.8011 -0.6063 H 1 UNL11111111 0.1189 24 H -5.5723 -0.5169 0.1212 H 1 UNL11111111 0.1469 25 H 3.8625 1.4637 -0.4428 H 1 UNL11111111 0.3388 26 H 4.2266 -1.6998 -0.0779 H 1 UNL11111111 0.3361 @BOND 1 16 7 1 2 19 4 1 3 15 7 1 4 7 4 1 5 7 5 1 6 4 13 1 7 23 13 1 8 25 2 1 9 2 10 1 10 3 26 1 11 3 12 1 12 10 12 ar 13 10 8 ar 14 12 11 ar 15 13 24 1 16 13 22 1 17 17 8 1 18 8 6 ar 19 11 20 1 20 11 9 ar 21 6 9 ar 22 6 5 1 23 9 18 1 24 5 1 1 25 5 14 1 26 21 1 1