@MOLECULE o-benzyltyrosine 37 38 0 0 0 SMALL GASTEIGER @ATOM 1 O -6.6986 -0.3951 0.3359 O.2 1 UNL1111111111 -0.5150 2 C -5.6373 0.1204 0.5677 C.2 1 UNL1111111111 0.5718 3 CA -4.2496 -0.4594 0.3046 C.3 1 UNL1111111111 0.0076 4 N -4.3418 -1.8703 -0.0854 N.3 1 UNL1111111111 -0.6282 5 C -3.5638 0.3693 -0.8065 C.3 1 UNL1111111111 -0.2729 6 C -2.0751 0.3259 -0.6448 C.ar 1 UNL1111111111 -0.0747 7 C -1.3702 1.4892 -0.3160 C.ar 1 UNL1111111111 -0.0977 8 C 0.0075 1.4560 -0.1604 C.ar 1 UNL1111111111 -0.2523 9 C 0.6784 0.2352 -0.3371 C.ar 1 UNL1111111111 0.2490 10 C -0.0053 -0.9347 -0.6654 C.ar 1 UNL1111111111 -0.3038 11 C -1.3891 -0.8761 -0.8173 C.ar 1 UNL1111111111 -0.0725 12 O 2.0207 0.3469 -0.1562 O.3 1 UNL1111111111 -0.3331 13 C 2.7938 -0.8543 -0.2499 C.3 1 UNL1111111111 -0.0597 14 C 4.2028 -0.4197 0.0206 C.ar 1 UNL1111111111 -0.0232 15 C 4.6425 0.8362 -0.3986 C.ar 1 UNL1111111111 -0.1345 16 C 5.9573 1.2269 -0.1524 C.ar 1 UNL1111111111 -0.1455 17 C 6.8326 0.3620 0.5018 C.ar 1 UNL1111111111 -0.1504 18 C 6.3912 -0.8942 0.9159 C.ar 1 UNL1111111111 -0.1425 19 C 5.0753 -1.2858 0.6813 C.ar 1 UNL1111111111 -0.1662 20 HA -3.6407 -0.3871 1.2506 H 1 UNL1111111111 0.1866 21 H1 -4.6933 -2.4530 0.6594 H 1 UNL1111111111 0.2617 22 H -3.8487 -0.0164 -1.8084 H 1 UNL1111111111 0.1614 23 H -3.9310 1.4173 -0.7771 H 1 UNL1111111111 0.1622 24 H -1.9044 2.4288 -0.1759 H 1 UNL1111111111 0.1529 25 H 0.5719 2.3478 0.0977 H 1 UNL1111111111 0.1709 26 H 0.5092 -1.8781 -0.8018 H 1 UNL1111111111 0.1594 27 H -1.9483 -1.7848 -1.0587 H 1 UNL1111111111 0.1728 28 H 2.4222 -1.5819 0.4960 H 1 UNL1111111111 0.1405 29 H 2.6922 -1.2734 -1.2706 H 1 UNL1111111111 0.1429 30 H 3.9566 1.5114 -0.9111 H 1 UNL1111111111 0.1666 31 H 6.3001 2.2086 -0.4734 H 1 UNL1111111111 0.1508 32 H 7.8596 0.6670 0.6904 H 1 UNL1111111111 0.1493 33 H 7.0748 -1.5688 1.4269 H 1 UNL1111111111 0.1488 34 H 4.7330 -2.2627 1.0147 H 1 UNL1111111111 0.1506 35 OXT -5.5550 1.3438 1.1397 O.3 1 UNL1111111111 -0.5539 36 HXT -6.4337 1.7553 1.3358 H 1 UNL1111111111 0.3567 37 H2 -4.9158 -2.0079 -0.9051 H 1 UNL1111111111 0.2636 @BOND 1 1 2 2 2 2 3 1 3 2 35 1 4 3 5 1 5 3 4 1 6 3 20 1 7 4 21 1 8 4 37 1 9 5 6 1 10 5 22 1 11 5 23 1 12 6 11 ar 13 6 7 ar 14 7 8 ar 15 7 24 1 16 8 9 ar 17 8 25 1 18 9 12 1 19 10 9 ar 20 10 26 1 21 11 10 ar 22 11 27 1 23 12 13 1 24 13 14 1 25 13 28 1 26 13 29 1 27 14 19 ar 28 15 14 ar 29 15 30 1 30 16 15 ar 31 16 17 ar 32 16 31 1 33 17 18 ar 34 17 32 1 35 18 19 ar 36 18 33 1 37 19 34 1 38 35 36 1