@MOLECULE 2-[3-(~76~br)bromobenzyl]guanidine 22 22 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 BR -2.9107 -0.8836 0.0045 Br 1 UNL1 -0.0720 2 N 2.8801 0.0537 0.2580 N.pl3 1 UNL1 -0.5604 3 N 4.5076 -1.1569 1.4018 N.pl3 1 UNL1 -0.6219 4 N 4.8235 -0.8252 -0.9249 N.pl3 1 UNL1 -0.6739 5 C 0.7897 0.9294 -0.4523 C.ar 1 UNL1 0.0377 6 C 2.1695 0.5249 -0.9187 C.3 1 UNL1 -0.0910 7 C -0.2434 -0.0104 -0.4477 C.ar 1 UNL1 -0.1700 8 C 0.5556 2.2324 -0.0101 C.ar 1 UNL1 -0.1543 9 C -1.4983 0.3901 -0.0084 C.ar 1 UNL1 -0.0042 10 C -0.7136 2.6075 0.4253 C.ar 1 UNL1 -0.1273 11 C -1.7586 1.6834 0.4259 C.ar 1 UNL1 -0.1694 12 C 3.9969 -0.5999 0.1994 C.cat 1 UNL1 0.5155 13 H 2.0932 -0.2464 -1.7200 H 1 UNL1 0.1278 14 H 2.6983 1.3990 -1.3715 H 1 UNL1 0.1456 15 H -0.0499 -1.0336 -0.7664 H 1 UNL1 0.1706 16 H 1.3729 2.9522 0.0100 H 1 UNL1 0.1603 17 H -0.8906 3.6244 0.7719 H 1 UNL1 0.1537 18 H -2.7484 1.9820 0.7669 H 1 UNL1 0.1665 19 H 3.9253 -0.9727 2.2123 H 1 UNL1 0.3018 20 H 5.4771 -0.9597 1.5896 H 1 UNL1 0.2815 21 H 5.4896 -1.5754 -0.8663 H 1 UNL1 0.2938 22 H 4.3863 -0.7656 -1.8258 H 1 UNL1 0.2897 @BOND 1 22 4 1 2 13 6 1 3 14 6 1 4 4 21 1 5 4 12 1 6 6 5 1 7 6 2 1 8 15 7 1 9 5 7 ar 10 5 8 ar 11 7 9 ar 12 8 16 1 13 8 10 ar 14 9 1 1 15 9 11 ar 16 12 2 2 17 12 3 1 18 10 11 ar 19 10 17 1 20 11 18 1 21 3 20 1 22 3 19 1