@MOLECULE 73425481 36 36 1 SMALL USER_CHARGES @ATOM 1 Br1 -0.0374 3.4209 2.0455 Br 1 noname -0.0878 2 Br2 0.5975 -0.3516 0.4786 Br 1 noname -0.0878 3 Br3 4.7152 0.2078 -1.5556 Br 1 noname -0.0878 4 Br4 0.8754 4.1317 -2.4729 Br 1 noname -0.0878 5 Br5 1.5063 1.6127 -3.2112 Br 1 noname -0.0878 6 Br6 -0.7608 -0.0879 -0.6326 Br 1 noname -0.0878 7 C1 2.6459 1.5323 0.5994 C.3 1 noname -0.0385 8 C2 2.3473 3.0821 0.4684 C.3 1 noname -0.0385 9 C3 0.8904 3.7163 0.3644 C.3 1 noname 0.0271 10 C4 2.0828 0.5152 -0.4360 C.3 1 noname 0.0271 11 C5 2.9781 -0.5494 -1.1325 C.3 1 noname 0.0271 12 C6 0.1190 3.2447 -0.9229 C.3 1 noname 0.0271 13 C7 -1.3873 2.9327 -1.1997 C.3 1 noname -0.0385 14 C8 2.4705 -1.0832 -2.5289 C.3 1 noname -0.0385 15 C9 -1.6344 1.9609 -2.4351 C.3 1 noname -0.0385 16 C10 0.9443 -1.1612 -2.8577 C.3 1 noname -0.0385 17 C11 0.2448 0.1584 -3.2957 C.3 1 noname 0.0271 18 C12 -1.0175 0.5136 -2.4452 C.3 1 noname 0.0271 19 H1 2.3993 1.1987 1.6074 H 1 noname 0.0278 20 H2 3.7320 1.4738 0.5287 H 1 noname 0.0278 21 H3 2.9292 3.6282 1.2109 H 1 noname 0.0278 22 H4 2.7673 3.3251 -0.5076 H 1 noname 0.0278 23 H5 1.0254 4.8146 0.3170 H 1 noname 0.0434 24 H6 1.8277 1.1054 -1.2883 H 1 noname 0.0434 25 H7 0.3323 2.2287 -0.8759 H 1 noname 0.0434 26 H8 3.0883 -1.3895 -0.4375 H 1 noname 0.0434 27 H9 2.9377 -2.0447 -2.7420 H 1 noname 0.0278 28 H10 2.8420 -0.3388 -3.2331 H 1 noname 0.0278 29 H11 -1.9286 3.8656 -1.3573 H 1 noname 0.0278 30 H12 -1.7634 2.4369 -0.3048 H 1 noname 0.0278 31 H13 0.4113 -1.5906 -2.0093 H 1 noname 0.0278 32 H14 0.8113 -1.8460 -3.6952 H 1 noname 0.0278 33 H15 -2.7028 1.9019 -2.6430 H 1 noname 0.0278 34 H16 -1.2366 2.4630 -3.3170 H 1 noname 0.0278 35 H17 -1.7799 -0.1633 -2.8307 H 1 noname 0.0434 36 H18 -0.0266 0.0985 -4.3497 H 1 noname 0.0434 @BOND 1 9 1 1 2 10 2 1 3 11 3 1 4 12 4 1 5 17 5 1 6 18 6 1 7 7 8 1 8 7 10 1 9 7 19 1 10 7 20 1 11 8 9 1 12 8 21 1 13 8 22 1 14 9 12 1 15 9 23 1 16 10 11 1 17 10 24 1 18 11 14 1 19 11 26 1 20 12 13 1 21 12 25 1 22 13 15 1 23 13 29 1 24 13 30 1 25 14 16 1 26 14 27 1 27 14 28 1 28 15 18 1 29 15 33 1 30 15 34 1 31 16 17 1 32 16 31 1 33 16 32 1 34 17 18 1 35 17 36 1 36 18 35 1 @SUBSTRUCTURE 1 noname 1