@MOLECULE DB07492 32 32 1 SMALL USER_CHARGES @ATOM 1 Br1 -4.1162 -0.2559 -0.0828 Br 1 noname -0.0663 2 C1 -3.3661 -1.7105 -1.1002 C.3 1 noname 0.1427 3 Br2 -4.7410 -2.5093 -2.1886 Br 1 noname -0.0663 4 C2 -2.8234 -2.7132 -0.1882 C.2 1 noname 0.0517 5 O1 -1.6094 -3.0074 -0.2335 O.2 1 noname -0.2880 6 N1 -3.6268 -3.3180 0.6974 N.3 1 noname -0.0666 7 C3 -3.1027 -4.2864 1.5781 C.3 1 noname 0.0673 8 C4 -3.3192 -3.8321 3.0230 C.3 1 noname 0.0970 9 C5 -3.8152 -5.6212 1.3510 C.3 1 noname 0.0618 10 O2 -2.6579 -2.5933 3.2338 O.3 1 noname -0.3865 11 C6 -2.7765 -4.8348 3.9350 C.2 1 noname -0.0081 12 O3 -3.6143 -6.0429 0.0101 O.3 1 noname -0.3945 13 C7 -1.4533 -4.7511 4.3522 C.2 1 noname -0.0205 14 C8 -3.5831 -5.8731 4.3859 C.2 1 noname -0.0205 15 C9 -0.9366 -5.7057 5.2205 C.2 1 noname 0.0298 16 C10 -3.0665 -6.8278 5.2542 C.2 1 noname 0.0298 17 C11 -1.7432 -6.7441 5.6714 C.2 1 noname 0.0354 18 N2 -1.2582 -7.6403 6.4866 N.2 1 noname -0.0156 19 O4 -0.1267 -7.9146 6.4443 O.2 1 noname -0.1448 20 O5 -2.0166 -8.2114 7.3226 O.3 1 noname -0.1448 21 H1 -2.4210 -1.5032 -1.6023 H 1 noname 0.0642 22 H2 -4.6009 -3.0513 0.7010 H 1 noname 0.1315 23 H3 -2.0427 -4.3506 1.3323 H 1 noname 0.0524 24 H4 -4.3705 -3.6706 3.2614 H 1 noname 0.0669 25 H5 -3.3264 -6.3743 1.9690 H 1 noname 0.0581 26 H6 -4.8879 -5.4516 1.4449 H 1 noname 0.0581 27 H7 -2.5721 -2.4326 4.1763 H 1 noname 0.2109 28 H8 -3.6088 -7.0022 -0.0263 H 1 noname 0.2100 29 H9 -0.8208 -3.9369 3.9986 H 1 noname 0.0627 30 H10 -4.6208 -5.9388 4.0587 H 1 noname 0.0627 31 H11 0.1010 -5.6401 5.5477 H 1 noname 0.0647 32 H12 -3.6990 -7.6420 5.6078 H 1 noname 0.0647 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 4 5 2 5 4 6 1 6 7 6 1 7 7 8 1 8 7 9 1 9 8 10 1 10 8 11 1 11 9 12 1 12 11 13 2 13 11 14 1 14 13 15 1 15 14 16 2 16 15 17 2 17 16 17 1 18 17 18 1 19 18 19 2 20 18 20 1 21 2 21 1 22 6 22 1 23 7 23 1 24 8 24 1 25 9 25 1 26 9 26 1 27 10 27 1 28 12 28 1 29 13 29 1 30 14 30 1 31 15 31 1 32 16 32 1 @SUBSTRUCTURE 1 noname 1