@MOLECULE 1-benzyl-l-histidine 33 34 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.5356 1.7667 0.7380 O.3 1 UNL1111111111 -0.5495 2 OXT 3.6606 1.4086 1.3287 O.2 1 UNL1111111111 -0.5107 3 N -0.7692 -1.8497 -0.0765 N.ar 1 UNL1111111111 -0.2536 4 N 1.1212 -1.8353 1.1256 N.ar 1 UNL1111111111 -0.3823 5 N 4.1100 0.8454 -1.4936 N.3 1 UNL1111111111 -0.6296 6 C 2.7727 -0.9865 -0.5548 C.3 1 UNL1111111111 -0.2678 7 C 1.4070 -1.3852 -0.1572 C.ar 1 UNL1111111111 0.0538 8 CA 2.8480 0.5359 -0.8097 C.3 1 UNL1111111111 0.0080 9 C -2.1902 -1.8623 -0.3948 C.3 1 UNL1111111111 -0.0970 10 C 0.2347 -1.3821 -0.9201 C.ar 1 UNL1111111111 -0.1497 11 C -2.7583 -0.4715 -0.2517 C.ar 1 UNL1111111111 -0.0446 12 C -0.1945 -2.0964 1.1710 C.ar 1 UNL1111111111 0.0747 13 C 2.7691 1.2494 0.5377 C.2 1 UNL1111111111 0.5889 14 C -2.8406 0.3627 -1.3662 C.ar 1 UNL1111111111 -0.1475 15 C -3.1626 -0.0120 1.0017 C.ar 1 UNL1111111111 -0.1456 16 C -3.3261 1.6610 -1.2245 C.ar 1 UNL1111111111 -0.1383 17 C -3.6473 1.2867 1.1394 C.ar 1 UNL1111111111 -0.1383 18 C -3.7282 2.1237 0.0273 C.ar 1 UNL1111111111 -0.1378 19 H 3.0861 -1.5229 -1.4791 H 1 UNL1111111111 0.1792 20 H 3.5114 -1.2897 0.2244 H 1 UNL1111111111 0.1842 21 HA 1.9943 0.8554 -1.4666 H 1 UNL1111111111 0.1765 22 H -2.7172 -2.5815 0.2776 H 1 UNL1111111111 0.1617 23 H -2.3352 -2.2524 -1.4318 H 1 UNL1111111111 0.1626 24 H 0.0637 -1.0977 -1.9339 H 1 UNL1111111111 0.1757 25 H -0.7371 -2.4613 2.0231 H 1 UNL1111111111 0.1846 26 H -2.5193 0.0083 -2.3433 H 1 UNL1111111111 0.1517 27 H -3.0901 -0.6589 1.8738 H 1 UNL1111111111 0.1534 28 H1 4.9174 0.6015 -0.9369 H 1 UNL1111111111 0.2665 29 H2 4.1751 1.8144 -1.7613 H 1 UNL1111111111 0.2570 30 H -3.3850 2.3160 -2.0920 H 1 UNL1111111111 0.1523 31 H -3.9578 1.6491 2.1181 H 1 UNL1111111111 0.1543 32 H -4.1023 3.1402 0.1373 H 1 UNL1111111111 0.1523 33 H 1.4159 2.1739 1.6338 H 1 UNL1111111111 0.3554 @BOND 1 1 13 1 2 1 33 1 3 2 13 2 4 3 9 1 5 3 10 ar 6 3 12 ar 7 4 7 ar 8 4 12 ar 9 5 8 1 10 5 28 1 11 5 29 1 12 6 7 1 13 6 8 1 14 6 19 1 15 6 20 1 16 7 10 ar 17 8 13 1 18 8 21 1 19 9 11 1 20 9 22 1 21 9 23 1 22 10 24 1 23 11 14 ar 24 11 15 ar 25 12 25 1 26 14 16 ar 27 14 26 1 28 15 17 ar 29 15 27 1 30 16 18 ar 31 16 30 1 32 17 18 ar 33 17 31 1 34 18 32 1