@MOLECULE 32 35 1 SMALL USER_CHARGES @ATOM 1 C1 -3.2217 6.4117 1.5893 C.2 1 noname -0.0513 2 C2 -2.2137 6.0435 0.6689 C.2 1 noname -0.0273 3 C3 -1.8905 4.7047 0.5291 C.2 1 noname 0.0081 4 C4 -0.9468 4.0752 -0.1742 C.2 1 noname -0.0152 5 C5 -1.0959 2.7308 0.0499 C.2 1 noname 0.0522 6 C6 -0.5307 1.6553 -0.5525 C.2 1 noname 0.0774 7 C7 -0.6801 0.3153 -0.1985 C.2 1 noname -0.0076 8 C8 0.1859 -0.4419 -0.9910 C.2 1 noname 0.0128 9 C9 0.3168 -1.8334 -0.8462 C.2 1 noname -0.0030 10 C10 -0.4863 -2.4863 0.1107 C.2 1 noname -0.0035 11 C11 -1.3999 -1.7469 0.8915 C.2 1 noname -0.0286 12 C12 -1.4958 -0.3482 0.7486 C.2 1 noname -0.0181 13 Br1 -0.3583 -4.3280 0.3384 Br 1 noname -0.0507 14 N1 0.7751 0.3729 -1.8614 N.3 1 noname -0.1312 15 C13 0.3186 1.6168 -1.6527 C.2 1 noname 0.1118 16 O1 0.6062 2.5392 -2.4464 O.2 1 noname -0.2727 17 N2 -1.9871 2.5952 0.9806 N.2 1 noname -0.2156 18 C14 -2.5213 3.7488 1.2638 C.2 1 noname 0.0173 19 C15 -3.5271 4.0630 2.1957 C.2 1 noname -0.0147 20 C16 -3.8797 5.4202 2.3536 C.2 1 noname -0.0462 21 N3 -0.0247 4.7397 -0.8541 N.3 1 noname -0.0382 22 O2 1.2445 4.4680 -0.7291 O.3 1 noname -0.3353 23 H1 -3.4918 7.4608 1.7098 H 1 noname 0.0622 24 H2 -1.6886 6.7878 0.0703 H 1 noname 0.0630 25 H3 1.0230 -2.3919 -1.4604 H 1 noname 0.0651 26 H4 -2.0370 -2.2607 1.6114 H 1 noname 0.0634 27 H5 -2.1953 0.2158 1.3656 H 1 noname 0.0630 28 H6 1.4509 0.0956 -2.5589 H 1 noname 0.1374 29 H7 -4.0168 3.2810 2.7760 H 1 noname 0.0645 30 H8 -4.6575 5.7017 3.0634 H 1 noname 0.0623 31 H9 -0.2981 5.4770 -1.4880 H 1 noname 0.1610 32 H10 1.4711 4.4195 0.2025 H 1 noname 0.2379 @BOND 1 1 2 2 2 2 3 1 3 3 4 2 4 4 5 1 5 5 6 2 6 6 7 1 7 7 8 2 8 8 9 1 9 9 10 2 10 10 11 1 11 11 12 2 12 7 12 1 13 10 13 1 14 8 14 1 15 14 15 1 16 6 15 1 17 15 16 2 18 5 17 1 19 17 18 2 20 3 18 1 21 18 19 1 22 19 20 2 23 1 20 1 24 4 21 1 25 21 22 1 26 1 23 1 27 2 24 1 28 9 25 1 29 11 26 1 30 12 27 1 31 14 28 1 32 19 29 1 33 20 30 1 34 21 31 1 35 22 32 1 @SUBSTRUCTURE 1 noname 1