@MOLECULE n-(4-hydroxybenzoyl)glycyl-l-phenylalanine 43 44 0 0 0 SMALL GASTEIGER @ATOM 1 O 4.4487 -2.5204 0.5308 O.3 1 PHE1111111111 -0.5563 2 OXT 5.6672 -1.4302 -0.9906 O.2 1 PHE1111111111 -0.4927 3 O 0.8943 -1.3451 -1.2320 O.2 0 UNK0 -0.5241 4 O -1.3742 0.2249 1.6345 O.2 0 UNK0 -0.5347 5 O -7.1573 -0.0511 -0.8561 O.3 0 UNK0 -0.4686 6 N 2.3855 -1.0765 0.4612 N.am 1 PHE1 -0.5906 7 N -1.2079 -1.7414 0.5258 N.am 0 UNK0 -0.5643 8 CA 3.4518 -0.5745 -0.3911 C.3 1 PHE1 0.0426 9 CB 3.9567 0.8020 0.1026 C.3 1 PHE1 -0.3151 10 CG 2.8536 1.8108 0.0229 C.ar 1 PHE1 0.0089 11 C 4.6481 -1.5204 -0.3627 C.2 1 PHE1 0.5966 12 C 1.1501 -1.4127 -0.0504 C.2 0 UNK0 0.5674 13 CD1 2.6661 2.5471 -1.1464 C.ar 1 PHE1 -0.1692 14 CD2 2.0066 2.0019 1.1185 C.ar 1 PHE1 -0.1635 15 C 0.1550 -1.9185 0.9982 C.3 0 UNK0 -0.1552 16 CE1 1.6456 3.4921 -1.2113 C.ar 1 PHE1 -0.1355 17 CE2 0.9758 2.9341 1.0411 C.ar 1 PHE1 -0.1228 18 CZ 0.8044 3.6897 -0.1176 C.ar 1 PHE1 -0.1575 19 C -1.8633 -0.5510 0.8349 C.2 0 UNK0 0.5987 20 C -3.2220 -0.3872 0.2718 C.ar 0 UNK0 -0.2110 21 C -4.1155 0.4065 1.0069 C.ar 0 UNK0 -0.0116 22 C -3.6299 -1.0073 -0.9098 C.ar 0 UNK0 -0.0281 23 C -5.4385 0.5219 0.6086 C.ar 0 UNK0 -0.2707 24 C -4.9559 -0.9174 -1.3185 C.ar 0 UNK0 -0.3298 25 C -5.8443 -0.1664 -0.5438 C.ar 0 UNK0 0.3292 26 HA 3.0849 -0.4921 -1.4597 H 1 PHE1 0.2096 27 HB1 4.3439 0.7245 1.1387 H 1 PHE1 0.1587 28 HB2 4.8261 1.1201 -0.5162 H 1 PHE1 0.1764 29 H 2.6002 -1.1690 1.4428 H 1 PHE1 0.3208 30 HD1 3.3117 2.3836 -2.0068 H 1 PHE1 0.1534 31 HD2 2.1416 1.4182 2.0237 H 1 PHE1 0.1468 32 H 0.2815 -1.3766 1.9700 H 0 UNK0 0.1901 33 H 0.3425 -3.0021 1.1925 H 0 UNK0 0.1691 34 HE1 1.5041 4.0754 -2.1189 H 1 PHE1 0.1479 35 HE2 0.2988 3.0671 1.8833 H 1 PHE1 0.1559 36 H -1.4626 -2.2823 -0.2894 H 0 UNK0 0.3153 37 HZ 0.0064 4.4266 -0.1705 H 1 PHE1 0.1508 38 H 5.2071 -3.1481 0.6025 H 1 PHE1 0.3547 39 H -3.7578 0.9267 1.9024 H 0 UNK0 0.1770 40 H -2.9238 -1.5643 -1.5281 H 0 UNK0 0.1543 41 H -6.1564 1.1196 1.1642 H 0 UNK0 0.1807 42 H -5.2925 -1.4244 -2.2154 H 0 UNK0 0.1655 43 H -7.3964 -0.5337 -1.6843 H 0 UNK0 0.3310 @BOND 1 1 11 1 2 1 38 1 3 2 11 2 4 3 12 2 5 4 19 2 6 5 25 1 7 5 43 1 8 6 8 1 9 6 12 am 10 6 29 1 11 7 15 1 12 7 19 am 13 7 36 1 14 8 9 1 15 8 11 1 16 8 26 1 17 9 10 1 18 9 27 1 19 9 28 1 20 10 13 ar 21 10 14 ar 22 12 15 1 23 13 16 ar 24 13 30 1 25 14 17 ar 26 14 31 1 27 15 32 1 28 15 33 1 29 16 18 ar 30 16 34 1 31 17 18 ar 32 17 35 1 33 18 37 1 34 19 20 1 35 20 21 ar 36 20 22 ar 37 21 23 ar 38 21 39 1 39 22 24 ar 40 22 40 1 41 23 25 ar 42 23 41 1 43 24 25 ar 44 24 42 1