@MOLECULE (2s)-2-amino-8-phosphonooctanoic acid 33 32 0 0 0 SMALL GASTEIGER @ATOM 1 P 4.7150 0.1632 -0.0108 P.3 1 UNL1111111111 0.2562 2 O 5.6288 -0.9910 0.6399 O.3 1 UNL1111111111 -0.4228 3 O 4.7489 -0.1724 -1.5817 O.3 1 UNL1111111111 -0.4087 4 O 5.1778 1.5164 0.3059 O.2 1 UNL1111111111 -0.3577 5 O -5.6999 1.6114 0.4107 O.3 1 UNL1111111111 -0.5568 6 OXT -6.5686 -0.0519 -0.7963 O.2 1 UNL1111111111 -0.5114 7 N -4.5296 -1.8254 -0.0188 N.3 1 UNL1111111111 -0.6255 8 C -0.6764 0.2857 -0.1140 C.3 1 UNL1111111111 -0.2716 9 C 0.5781 -0.4098 0.4312 C.3 1 UNL1111111111 -0.2794 10 C -1.9400 -0.3784 0.4442 C.3 1 UNL1111111111 -0.2663 11 C 1.8484 0.2831 -0.0893 C.3 1 UNL1111111111 -0.2342 12 C -3.2000 0.2667 -0.1452 C.3 1 UNL1111111111 -0.2816 13 C 3.0781 -0.5009 0.4402 C.3 1 UNL1111111111 -0.1525 14 CA -4.4651 -0.4214 0.4030 C.3 1 UNL1111111111 -0.0016 15 C -5.6887 0.3513 -0.0833 C.2 1 UNL1111111111 0.5730 16 H -0.6625 1.3597 0.1505 H 1 UNL1111111111 0.1382 17 H -0.6809 0.2450 -1.2195 H 1 UNL1111111111 0.1382 18 H 0.5647 -0.4012 1.5366 H 1 UNL1111111111 0.1364 19 H 0.5741 -1.4753 0.1333 H 1 UNL1111111111 0.1385 20 H -1.9554 -0.3050 1.5475 H 1 UNL1111111111 0.1386 21 H -1.9378 -1.4646 0.2205 H 1 UNL1111111111 0.1588 22 H 1.8495 1.3441 0.2401 H 1 UNL1111111111 0.1527 23 H 1.8243 0.3131 -1.1990 H 1 UNL1111111111 0.1537 24 H -3.2279 1.3469 0.1068 H 1 UNL1111111111 0.1602 25 H -3.1753 0.2097 -1.2500 H 1 UNL1111111111 0.1469 26 H 3.0208 -1.5721 0.0731 H 1 UNL1111111111 0.1886 27 H 3.0342 -0.5460 1.5719 H 1 UNL1111111111 0.1845 28 HA -4.4506 -0.3978 1.5291 H 1 UNL1111111111 0.1784 29 H1 -4.4227 -1.9326 -1.0164 H 1 UNL1111111111 0.2611 30 H2 -5.3904 -2.2717 0.2645 H 1 UNL1111111111 0.2644 31 H 6.5941 -0.6853 0.6895 H 1 UNL1111111111 0.3237 32 H 5.5152 0.3215 -2.0284 H 1 UNL1111111111 0.3197 33 H -6.4826 2.1468 0.1246 H 1 UNL1111111111 0.3582 @BOND 1 1 2 1 2 1 3 1 3 1 4 2 4 1 13 1 5 2 31 1 6 3 32 1 7 5 15 1 8 5 33 1 9 6 15 2 10 7 14 1 11 7 29 1 12 7 30 1 13 8 9 1 14 8 10 1 15 8 16 1 16 8 17 1 17 9 11 1 18 9 18 1 19 9 19 1 20 10 12 1 21 10 20 1 22 10 21 1 23 11 13 1 24 11 22 1 25 11 23 1 26 12 14 1 27 12 24 1 28 12 25 1 29 13 26 1 30 13 27 1 31 14 15 1 32 14 28 1