@MOLECULE (2s)-amino(carbamoylamino)acetic acid 16 15 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -2.7443 -0.5257 -0.1565 O.co2 1 UNL1 -0.6787 2 O -1.9452 1.5996 0.0917 O.co2 1 UNL1 -0.5910 3 O 2.1269 -1.0585 0.2945 O.2 1 UNL1 -0.6318 4 N -0.4568 -1.6325 -0.2942 N.4 1 UNL1 -0.2530 5 N 0.5747 0.5465 -0.1241 N.am 1 UNL1 -0.6121 6 N 2.9012 1.0207 -0.2311 N.am 1 UNL1 -0.6814 7 C -0.4566 -0.2833 0.4299 C.3 1 UNL1 -0.0678 8 C -1.9746 0.3939 0.0698 C.2 1 UNL1 0.7332 9 C 1.8947 0.1156 0.0210 C.2 1 UNL1 0.7265 10 H -0.3738 -0.4668 1.5185 H 1 UNL1 0.1555 11 H 0.3404 -2.2061 0.0217 H 1 UNL1 0.2982 12 H -1.3796 -2.0861 -0.1180 H 1 UNL1 0.3206 13 H -0.3698 -1.4776 -1.3076 H 1 UNL1 0.2835 14 H 0.3070 1.5142 -0.3041 H 1 UNL1 0.3556 15 H 2.7391 1.9816 -0.4363 H 1 UNL1 0.3156 16 H 3.8528 0.7075 -0.2006 H 1 UNL1 0.3272 @BOND 1 13 4 1 2 15 6 1 3 14 5 1 4 4 12 1 5 4 11 1 6 4 7 1 7 6 16 1 8 6 9 am 9 1 8 ar 10 5 9 am 11 5 7 1 12 9 3 2 13 8 2 ar 14 8 7 1 15 7 10 1