@MOLECULE 0JO 34 34 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.2730 -2.4470 -1.2480 O.2 1 ALA1 -0.2434 2 C 3.1940 -2.5850 -0.4680 C.2 1 ALA1 0.3547 3 OXT 3.9020 -3.7300 -0.4560 O.3 1 ALA1 -0.4761 4 CA 3.5400 -1.4930 0.4660 C.2 1 ALA1 0.1403 5 CB 4.4970 -1.6790 1.3930 C.2 1 ALA1 -0.0662 6 N 2.8870 -0.2930 0.3870 N.2 1 ALA1 -0.2483 7 C 1.5870 -0.2620 0.3150 C.2 0 UNK0 0.0395 8 C 0.8910 1.0200 0.1140 C.ar 0 UNK0 0.0431 9 C 1.6100 2.2220 -0.0070 C.ar 0 UNK0 0.1466 10 O 2.9660 2.2260 0.0570 O.3 0 UNK0 -0.5043 11 C 0.9090 3.4050 -0.1950 C.ar 0 UNK0 0.0801 12 C 1.6620 4.7030 -0.3280 C.3 0 UNK0 -0.0188 13 N -0.4070 3.4060 -0.2600 N.ar 0 UNK0 -0.2562 14 C -1.1170 2.3000 -0.1500 C.ar 0 UNK0 0.0341 15 C -0.5070 1.0770 0.0340 C.ar 0 UNK0 0.0088 16 C -1.3310 -0.1790 0.1520 C.3 0 UNK0 0.0862 17 O -2.7180 0.1490 0.0370 O.3 0 UNK0 -0.2820 18 P -3.8890 -0.9530 0.1170 P.3 0 UNK0 0.4727 19 O -3.7590 -1.7210 1.3760 O.2 0 UNK0 -0.2275 20 O -5.3210 -0.2180 0.0810 O.3 0 UNK0 -0.3026 21 O -3.7690 -1.9560 -1.1380 O.3 0 UNK0 -0.3026 22 HXT 3.6410 -4.4140 -1.0880 H 1 ALA1 0.2955 23 HB1 4.7500 -0.8810 2.0760 H 1 ALA1 0.0558 24 HB2 5.0120 -2.6260 1.4560 H 1 ALA1 0.0558 25 H 1.0200 -1.1760 0.4020 H 0 UNK0 0.0837 26 H 3.4010 2.1140 -0.7990 H 0 UNK0 0.2922 27 H 1.8930 4.8840 -1.3780 H 0 UNK0 0.0294 28 H 1.0490 5.5190 0.0550 H 0 UNK0 0.0294 29 H 2.5890 4.6460 0.2430 H 0 UNK0 0.0294 30 H -2.1940 2.3520 -0.2090 H 0 UNK0 0.0833 31 H -1.0550 -0.8710 -0.6440 H 0 UNK0 0.0616 32 H -1.1470 -0.6450 1.1190 H 0 UNK0 0.0616 33 H -6.0740 -0.8230 0.1260 H 0 UNK0 0.2220 34 H -3.8450 -1.5200 -1.9980 H 0 UNK0 0.2220 @BOND 1 1 2 2 2 3 2 1 3 2 4 1 4 4 5 2 5 4 6 1 6 10 9 1 7 6 7 2 8 7 8 1 9 9 8 ar 10 9 11 ar 11 12 11 1 12 8 15 ar 13 11 13 ar 14 19 18 2 15 15 16 1 16 15 14 ar 17 13 14 ar 18 17 16 1 19 17 18 1 20 20 18 1 21 18 21 1 22 3 22 1 23 5 23 1 24 5 24 1 25 7 25 1 26 10 26 1 27 12 27 1 28 12 28 1 29 12 29 1 30 14 30 1 31 16 31 1 32 16 32 1 33 20 33 1 34 21 34 1