@MOLECULE (2s)-2-[(n-formyl-l-methionyl)amino]-3-phenylpropanoate 42 42 0 0 0 SMALL GASTEIGER @ATOM 1 SD 1.4854 -3.3600 0.5046 S.3 1 PHE11111111 -0.0162 2 O 0.8573 1.3626 -1.6374 O.2 1 PHE11111111 -0.5297 3 O -0.3196 3.8831 0.5549 O.3 1 PHE11111111 -0.5447 4 OXT -2.3615 4.0393 -0.3421 O.2 1 PHE11111111 -0.4971 5 O 4.9271 1.1506 0.7521 O.2 0 UNK0 -0.5354 6 N -0.0750 1.3384 0.4262 N.am 1 PHE1 -0.5819 7 N 3.3473 0.7457 -0.8071 N.am 1 PHE1 -0.6016 8 CA 2.2942 0.7030 0.2044 C.3 1 PHE1 0.0041 9 CA -1.3591 1.8279 -0.0540 C.3 1 PHE1 0.0463 10 CB 2.1069 -0.7226 0.7756 C.3 1 PHE1 -0.2849 11 CB -2.5048 1.2673 0.8154 C.3 1 PHE1 -0.3137 12 C 0.9843 1.1825 -0.4439 C.2 1 PHE1 0.5616 13 CG -2.8488 -0.1367 0.4251 C.ar 1 PHE1 0.0060 14 CG 1.7039 -1.7211 -0.3007 C.3 1 PHE1 -0.3240 15 C -1.4394 3.3544 0.0100 C.2 1 PHE1 0.5940 16 CD1 -3.8402 -0.3578 -0.5337 C.ar 1 PHE1 -0.1675 17 CD2 -2.2064 -1.2185 1.0291 C.ar 1 PHE1 -0.1592 18 CE1 -4.1924 -1.6594 -0.8810 C.ar 1 PHE1 -0.1363 19 CE2 -2.5588 -2.5194 0.6753 C.ar 1 PHE1 -0.1364 20 C 4.6492 0.9947 -0.4201 C.2 0 UNK0 0.4786 21 CZ -3.5531 -2.7395 -0.2752 C.ar 1 PHE1 -0.1610 22 CE 1.0540 -4.4111 -0.9154 C.3 1 PHE1 -0.4952 23 HA 2.6029 1.3884 1.0518 H 1 PHE1 0.1888 24 HA -1.4929 1.5216 -1.1385 H 1 PHE1 0.2084 25 HB1 3.0676 -1.0255 1.2512 H 1 PHE1 0.1779 26 HB2 1.3672 -0.6940 1.6012 H 1 PHE1 0.1513 27 HB1 -2.2447 1.3245 1.8928 H 1 PHE1 0.1602 28 HB2 -3.4012 1.9218 0.7097 H 1 PHE1 0.1801 29 H 0.0494 1.2975 1.4290 H 1 PHE1 0.3188 30 HG1 2.4716 -1.7964 -1.0932 H 1 PHE1 0.1595 31 HG2 0.7646 -1.4186 -0.8001 H 1 PHE1 0.1631 32 H 3.0514 0.6627 -1.7719 H 1 PHE1 0.3340 33 HD1 -4.3418 0.4838 -1.0083 H 1 PHE1 0.1572 34 HD2 -1.4316 -1.0510 1.7728 H 1 PHE1 0.1521 35 HE1 -4.9678 -1.8338 -1.6242 H 1 PHE1 0.1490 36 HE2 -2.0535 -3.3624 1.1443 H 1 PHE1 0.1552 37 H 5.3902 1.0407 -1.2282 H 0 UNK0 0.1355 38 HZ -3.8301 -3.7549 -0.5466 H 1 PHE1 0.1492 39 H -0.3154 4.8735 0.5665 H 1 PHE1 0.3570 40 HE1 0.8956 -5.4321 -0.5469 H 1 PHE1 0.1714 41 HE2 1.8525 -4.4414 -1.6622 H 1 PHE1 0.1614 42 HE3 0.1328 -4.0808 -1.4056 H 1 PHE1 0.1642 @BOND 1 1 14 1 2 1 22 1 3 2 12 2 4 3 15 1 5 3 39 1 6 4 15 2 7 5 20 2 8 6 9 1 9 6 12 am 10 6 29 1 11 7 8 1 12 7 20 am 13 7 32 1 14 8 10 1 15 8 12 1 16 8 23 1 17 9 11 1 18 9 15 1 19 9 24 1 20 10 14 1 21 10 25 1 22 10 26 1 23 11 13 1 24 11 27 1 25 11 28 1 26 13 16 ar 27 13 17 ar 28 14 30 1 29 14 31 1 30 16 18 ar 31 16 33 1 32 17 19 ar 33 17 34 1 34 18 21 ar 35 18 35 1 36 19 21 ar 37 19 36 1 38 20 37 1 39 21 38 1 40 22 40 1 41 22 41 1 42 22 42 1