HMDB0000052 RDKit 3D Argininosuccinic acid 38 37 0 0 0 0 0 0 0 0999 V2000 -1.7537 1.1031 1.3975 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2635 0.1775 0.6303 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0404 0.4135 0.1178 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1901 -0.2059 0.7203 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4371 0.2245 -0.0285 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6871 -0.3917 0.5559 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8487 0.1301 -0.2961 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8279 1.5801 -0.1710 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6665 -0.2449 -1.7043 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5216 0.6172 -2.6111 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6470 -1.5800 -2.0915 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9982 -0.9834 0.3383 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3774 -0.9865 -0.1533 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2994 -0.3156 0.7965 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6851 -0.3741 0.3185 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0243 -1.0415 -0.6769 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6664 0.3593 1.0221 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3269 -0.2232 -1.4294 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2197 0.2718 -1.8493 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4053 0.0151 -2.2435 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2599 1.9719 1.6448 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1488 1.0446 -0.7029 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3115 0.0766 1.7748 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0887 -1.3229 0.6093 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5294 1.3397 0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3588 -0.0287 -1.0867 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8150 -0.0578 1.5964 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6341 -1.4934 0.4785 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7924 -0.2551 0.1438 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6312 1.9888 -0.7046 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8561 1.8742 0.8224 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4503 -2.0237 -2.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5714 -1.9222 0.4668 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6908 -2.0048 -0.3675 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2551 -0.7723 1.8256 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0580 0.7674 0.9202 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7943 1.3501 0.8576 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8335 0.9221 -2.3876 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 2 0 9 11 1 0 2 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 13 18 1 0 18 19 2 0 18 20 1 0 1 21 1 0 3 22 1 0 4 23 1 0 4 24 1 0 5 25 1 0 5 26 1 0 6 27 1 0 6 28 1 0 7 29 1 1 8 30 1 0 8 31 1 0 11 32 1 0 12 33 1 0 13 34 1 6 14 35 1 0 14 36 1 0 17 37 1 0 20 38 1 0 M END