@MOLECULE {(1r)-1-amino-4-[(diaminomethylene)amino]butyl}boronic acid 27 26 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.8159 1.9863 -0.4759 O.3 1 UNL11111111111111 -0.5949 2 B 2.8958 0.7171 0.1139 B 1 UNL11111111111111 0.4856 3 O 3.3407 0.6393 1.4262 O.3 1 UNL11111111111111 -0.5263 4 C 2.4397 -0.6611 -0.6047 C.3 1 UNL11111111111111 -0.0116 5 N 3.4844 -1.6875 -0.4233 N.3 1 UNL11111111111111 -0.6428 6 C 1.0693 -1.0717 -0.0257 C.3 1 UNL11111111111111 -0.3189 7 C -0.0389 -0.1116 -0.4672 C.3 1 UNL11111111111111 -0.2903 8 C -1.3885 -0.5888 0.0928 C.3 1 UNL11111111111111 -0.0731 9 N -2.4276 0.3994 -0.2834 N.pl3 1 UNL11111111111111 -0.5457 10 C -3.7474 0.0599 0.0927 C.cat 1 UNL11111111111111 0.5413 11 N -4.0233 -1.0933 0.6081 N.pl3 1 UNL11111111111111 -0.6891 12 N -4.6787 1.1037 -0.1580 N.pl3 1 UNL11111111111111 -0.6993 13 H 2.5573 2.0533 -1.3928 H 1 UNL11111111111111 0.3492 14 H 3.6133 1.4722 1.8317 H 1 UNL11111111111111 0.3396 15 H 2.3477 -0.4875 -1.7068 H 1 UNL11111111111111 0.1326 16 H 3.8378 -1.7076 0.5214 H 1 UNL11111111111111 0.2573 17 H 3.1536 -2.6085 -0.6634 H 1 UNL11111111111111 0.2422 18 H 0.8213 -2.0996 -0.3591 H 1 UNL11111111111111 0.1414 19 H 1.1160 -1.1262 1.0799 H 1 UNL11111111111111 0.1516 20 H 0.1736 0.9188 -0.1248 H 1 UNL11111111111111 0.1418 21 H -0.0919 -0.0613 -1.5724 H 1 UNL11111111111111 0.1492 22 H -1.6741 -1.5771 -0.3387 H 1 UNL11111111111111 0.1665 23 H -1.3410 -0.7344 1.1947 H 1 UNL11111111111111 0.1402 24 H -2.1577 1.3584 -0.0745 H 1 UNL11111111111111 0.2894 25 H -4.9680 -1.3788 0.7761 H 1 UNL11111111111111 0.2829 26 H -4.4326 1.8055 -0.8313 H 1 UNL11111111111111 0.2908 27 H -5.6451 0.8410 -0.2095 H 1 UNL11111111111111 0.2903 @BOND 1 1 2 1 2 1 13 1 3 2 3 1 4 2 4 1 5 3 14 1 6 4 5 1 7 4 6 1 8 4 15 1 9 5 16 1 10 5 17 1 11 6 7 1 12 6 18 1 13 6 19 1 14 7 8 1 15 7 20 1 16 7 21 1 17 8 9 1 18 8 22 1 19 8 23 1 20 9 10 1 21 9 24 1 22 10 11 2 23 10 12 1 24 11 25 1 25 12 26 1 26 12 27 1