@MOLECULE [(2s,5s)-5-benzyl-3,6-dioxo-2-piperazinyl]acetic acid 33 34 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.4492 2.4767 1.2380 O.2 1 PHE1111111111 -0.4967 2 O 1.2578 -2.5316 0.6770 O.2 2 ASP2222222222 -0.5058 3 OD1 5.5957 -0.1449 -0.1868 O.3 2 ASP2222222222 -0.5508 4 OD2 4.1727 0.7003 -1.6819 O.2 2 ASP2222222222 -0.4989 5 N -0.2901 -0.8909 0.5913 N.am 1 PHE1111111111 -0.5945 6 N 1.8375 0.8965 0.4310 N.am 2 ASP2222222222 -0.6016 7 CA -0.5917 0.5079 0.2734 C.3 1 PHE1111111111 0.0182 8 CA 1.9804 -0.4025 -0.2312 C.3 2 ASP2222222222 0.0249 9 CB -1.8766 0.9688 0.9704 C.3 1 PHE1111111111 -0.3162 10 C 0.5856 1.3973 0.7075 C.2 1 PHE1111111111 0.5467 11 C 0.9752 -1.3900 0.3947 C.2 2 ASP2222222222 0.5478 12 CB 3.4001 -0.9493 -0.0702 C.3 2 ASP2222222222 -0.3745 13 CG -3.0713 0.4169 0.2596 C.ar 1 PHE1111111111 0.0070 14 CD1 -3.6192 1.0973 -0.8312 C.ar 1 PHE1111111111 -0.1700 15 CD2 -3.6273 -0.7942 0.6750 C.ar 1 PHE1111111111 -0.1804 16 CG 4.3731 -0.0515 -0.7651 C.2 2 ASP2222222222 0.6361 17 CE1 -4.7254 0.5731 -1.4953 C.ar 1 PHE1111111111 -0.1333 18 CE2 -4.7278 -1.3223 0.0036 C.ar 1 PHE1111111111 -0.1311 19 CZ -5.2792 -0.6362 -1.0765 C.ar 1 PHE1111111111 -0.1584 20 HA -0.7114 0.6127 -0.8432 H 1 PHE1111111111 0.1695 21 HA 1.7394 -0.2918 -1.3291 H 2 ASP2222222222 0.1796 22 HB1 -1.9057 2.0852 0.9944 H 1 PHE1111111111 0.1958 23 HB2 -1.8675 0.6913 2.0442 H 1 PHE1111111111 0.1725 24 H -1.0206 -1.4584 0.9963 H 1 PHE1111111111 0.3342 25 H 2.6693 1.4285 0.6378 H 2 ASP2222222222 0.3342 26 HB1 3.6621 -1.0903 1.0036 H 2 ASP2222222222 0.2092 27 HB2 3.4618 -1.9868 -0.4867 H 2 ASP2222222222 0.2173 28 HD1 -3.1912 2.0429 -1.1578 H 1 PHE1111111111 0.1564 29 HD2 -3.2153 -1.3250 1.5309 H 1 PHE1111111111 0.1488 30 HE1 -5.1570 1.1069 -2.3414 H 1 PHE1111111111 0.1505 31 HE2 -5.1556 -2.2712 0.3259 H 1 PHE1111111111 0.1519 32 HZ -6.1472 -1.0429 -1.5910 H 1 PHE1111111111 0.1519 33 HD1 6.2767 0.4458 -0.6029 H 2 ASP2222222222 0.3595 @BOND 1 1 10 2 2 2 11 2 3 3 16 1 4 3 33 1 5 4 16 2 6 5 7 1 7 5 11 am 8 5 24 1 9 6 8 1 10 6 10 am 11 6 25 1 12 7 9 1 13 7 10 1 14 7 20 1 15 8 11 1 16 8 12 1 17 8 21 1 18 9 13 1 19 9 22 1 20 9 23 1 21 12 16 1 22 12 26 1 23 12 27 1 24 13 14 ar 25 13 15 ar 26 14 17 ar 27 14 28 1 28 15 18 ar 29 15 29 1 30 17 19 ar 31 17 30 1 32 18 19 ar 33 18 31 1 34 19 32 1