Adenylosuccinic acid http://gmd-dev.mpimp-golm.mpg.de/search.aspx?query=fca7e6f4-5343-452d-9881-b0b65e3e42af 49 51 0 1 0 0 0 0 0999 V2000 11.6102 3.7446 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 9.0755 1.9802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5376 2.4846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8194 4.2424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8001 3.1582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4202 4.3310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1966 2.9346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0238 4.5547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.0825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -4.0825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.0825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.5825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8133 0.7223 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8133 -0.8872 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.9175 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.0825 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.5825 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5376 2.4828 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.1268 3.2908 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.1240 1.6728 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.0773 2.9802 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.8873 3.5666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.4175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3969 -0.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.5825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.5825 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1350 0.4175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.5825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.5825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2570 3.0357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5659 3.7285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5616 1.2336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6292 2.6977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2349 4.0800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4421 3.9980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2285 3.0220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2350 4.7025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0169 -0.0825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -2.3925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.9625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.7275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 -1.6075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 -1.6075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9862 4.0779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9434 2.3686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.7025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 8 2 0 0 0 0 2 20 1 0 0 0 0 2 21 1 0 0 0 0 3 18 1 0 0 0 0 3 38 1 0 0 0 0 4 19 1 0 0 0 0 4 39 1 0 0 0 0 5 22 1 0 0 0 0 6 46 1 0 0 0 0 7 47 1 0 0 0 0 9 30 1 0 0 0 0 9 48 1 0 0 0 0 10 30 2 0 0 0 0 11 31 1 0 0 0 0 11 49 1 0 0 0 0 12 31 2 0 0 0 0 13 20 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 14 24 2 0 0 0 0 14 25 1 0 0 0 0 15 23 2 0 0 0 0 15 28 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 16 41 1 0 0 0 0 17 26 1 0 0 0 0 17 28 2 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 32 1 0 0 0 0 19 21 1 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 23 25 1 0 0 0 0 24 40 1 0 0 0 0 25 26 2 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 27 42 1 0 0 0 0 28 43 1 0 0 0 0 29 31 1 0 0 0 0 29 44 1 0 0 0 0 29 45 1 0 0 0 0 M END