@MOLECULE 3-hydroxy-alpha-methyl-l-tyrosyl-l-phenylalanine 48 49 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.8242 1.7840 1.4204 O.2 1 UNL1111111111 -0.5177 2 O 2.8154 2.1898 0.7635 O.3 1 UNL1111111111 -0.5537 3 OXT 3.5582 1.0313 2.5151 O.2 1 UNL1111111111 -0.5053 4 O -2.7720 -2.6532 1.2276 O.3 1 UNL1111111111 -0.4241 5 O -5.3121 -1.9866 1.1065 O.3 1 UNL1111111111 -0.4255 6 N 0.7639 0.6953 0.2304 N.am 1 UNL1111111111 -0.5840 7 N 0.2814 2.6168 -1.7595 N.3 1 UNL1111111111 -0.6797 8 C -0.8782 2.1092 -0.9881 C.3 1 UNL1111111111 0.1715 9 C -1.5193 0.9804 -1.8341 C.3 1 UNL1111111111 -0.2981 10 C -0.3302 1.5412 0.3419 C.2 0 ACE0 0.5582 11 C -1.8952 3.2030 -0.6518 C.3 1 UNL1 -0.4954 12 CA 1.4914 0.3118 1.4296 C.3 1 UNL1 0.0343 13 C -2.5464 0.2083 -1.0679 C.ar 1 UNL1 0.0137 14 CB 1.9373 -1.1668 1.3495 C.3 1 UNL1 -0.3005 15 CG 2.7897 -1.4318 0.1465 C.ar 1 UNL1 -0.0029 16 C -2.1412 -0.8778 -0.2806 C.ar 1 UNL1 -0.2657 17 C -3.8915 0.5572 -1.1352 C.ar 1 UNL1 -0.1678 18 C 2.7275 1.1759 1.6586 C.2 1 UNL1 0.5990 19 C -3.0872 -1.5904 0.4420 C.ar 1 UNL1 0.2004 20 C -4.8504 -0.1613 -0.4146 C.ar 1 UNL1 -0.2440 21 CD1 2.1998 -1.8047 -1.0630 C.ar 1 UNL1 -0.1715 22 CD2 4.1766 -1.2923 0.2292 C.ar 1 UNL1 -0.1726 23 C -4.4521 -1.2327 0.3743 C.ar 1 UNL1 0.1844 24 CE1 2.9932 -2.0232 -2.1867 C.ar 1 UNL1 -0.1401 25 CE2 4.9673 -1.5141 -0.8953 C.ar 1 UNL1 -0.1371 26 CZ 4.3769 -1.8772 -2.1049 C.ar 1 UNL1 -0.1573 27 H -1.9581 1.4204 -2.7525 H 1 UNL1 0.1558 28 H -0.7163 0.3048 -2.2050 H 1 UNL1 0.1711 29 H -2.3466 3.6361 -1.5477 H 1 UNL1 0.1473 30 H -1.4433 4.0115 -0.0644 H 1 UNL1 0.1614 31 H -2.7096 2.7973 -0.0291 H 1 UNL1 0.1847 32 HA 0.8175 0.4494 2.3349 H 1 UNL1 0.2090 33 H 1.2692 0.6364 -0.6524 H 1 UNL1 0.3380 34 HB1 2.4813 -1.4305 2.2846 H 1 UNL1 0.1757 35 HB2 1.0358 -1.8141 1.3427 H 1 UNL1 0.1638 36 H 0.9194 3.1524 -1.1900 H 1 UNL1 0.2672 37 H -0.0005 3.1644 -2.5548 H 1 UNL1 0.2629 38 H -1.0885 -1.1471 -0.2255 H 1 UNL1 0.1717 39 H -4.2084 1.3981 -1.7481 H 1 UNL1 0.1540 40 H -5.8970 0.1229 -0.4711 H 1 UNL1 0.1591 41 HD1 1.1198 -1.9225 -1.1320 H 1 UNL1 0.1549 42 HD2 4.6418 -1.0045 1.1732 H 1 UNL1 0.1666 43 HE1 2.5313 -2.3077 -3.1302 H 1 UNL1 0.1492 44 HE2 6.0485 -1.4029 -0.8289 H 1 UNL1 0.1526 45 HZ 4.9960 -2.0475 -2.9831 H 1 UNL1 0.1509 46 H 3.6037 2.7722 0.9101 H 1 UNL1 0.3573 47 H -1.7891 -2.7476 1.3089 H 1 UNL1 0.3137 48 H -6.2401 -1.6515 1.0249 H 1 UNL1 0.3147 @BOND 1 1 10 2 2 2 18 1 3 2 46 1 4 3 18 2 5 4 19 1 6 4 47 1 7 5 23 1 8 5 48 1 9 6 10 am 10 6 12 1 11 6 33 1 12 7 8 1 13 7 36 1 14 7 37 1 15 8 9 1 16 8 10 1 17 8 11 1 18 9 13 1 19 9 27 1 20 9 28 1 21 11 29 1 22 11 30 1 23 11 31 1 24 12 14 1 25 12 18 1 26 12 32 1 27 13 16 ar 28 13 17 ar 29 14 15 1 30 14 34 1 31 14 35 1 32 15 21 ar 33 15 22 ar 34 16 19 ar 35 16 38 1 36 17 20 ar 37 17 39 1 38 19 23 ar 39 20 23 ar 40 20 40 1 41 21 24 ar 42 21 41 1 43 22 25 ar 44 22 42 1 45 24 26 ar 46 24 43 1 47 25 26 ar 48 25 44 1 49 26 45 1