@MOLECULE [(2R)-2-ethylheptyl] 2,3,4,5-tetrabromobenzoate 42 42 0 0 0 SMALL USER_CHARGES @ATOM 1 BR -0.6734 -2.2849 0.2348 Br 1 UNL111111111 0.0374 2 BR 2.6131 -2.5814 -0.0747 Br 1 UNL111111111 0.0328 3 BR 3.0434 3.1120 0.2560 Br 1 UNL111111111 0.0155 4 BR 4.4940 0.1316 -0.0600 Br 1 UNL111111111 0.0306 5 O -2.0782 1.4000 -0.4581 O.3 1 UNL111111111 -0.4077 6 O -2.2936 0.2334 1.4651 O.2 1 UNL111111111 -0.4482 7 C -4.1361 0.2811 -1.0854 C.3 1 UNL111111111 -0.1446 8 C -5.6657 0.4279 -1.1058 C.3 1 UNL111111111 -0.2841 9 C -6.2653 0.2798 0.2984 C.3 1 UNL111111111 -0.2768 10 C -3.5765 -0.0754 -2.4740 C.3 1 UNL111111111 -0.2591 11 C -3.4970 1.5673 -0.5491 C.3 1 UNL111111111 -0.0250 12 C -7.7895 0.4437 0.2539 C.3 1 UNL111111111 -0.2707 13 C -8.3908 0.2991 1.6583 C.3 1 UNL111111111 -0.2493 14 C -3.9777 0.9035 -3.5767 C.3 1 UNL111111111 -0.4372 15 C -9.9105 0.4589 1.6203 C.3 1 UNL111111111 -0.4424 16 C -1.6121 0.6567 0.5715 C.2 1 UNL111111111 0.5903 17 C -0.1428 0.4947 0.4039 C.ar 1 UNL111111111 -0.1096 18 C 0.4418 -0.7620 0.2580 C.ar 1 UNL111111111 -0.0045 19 C 0.6454 1.6439 0.3937 C.ar 1 UNL111111111 -0.0916 20 C 1.8235 -0.8769 0.1197 C.ar 1 UNL111111111 -0.0582 21 C 2.0250 1.5208 0.2566 C.ar 1 UNL111111111 -0.0504 22 C 2.6189 0.2693 0.1221 C.ar 1 UNL111111111 -0.0252 23 H -3.8695 -0.5568 -0.3884 H 1 UNL111111111 0.1580 24 H -5.9552 1.4002 -1.5446 H 1 UNL111111111 0.1383 25 H -6.1003 -0.3408 -1.7747 H 1 UNL111111111 0.1456 26 H -6.0017 -0.7087 0.7212 H 1 UNL111111111 0.1439 27 H -5.8254 1.0236 0.9885 H 1 UNL111111111 0.1390 28 H -3.9066 -1.0967 -2.7472 H 1 UNL111111111 0.1360 29 H -2.4694 -0.1251 -2.4128 H 1 UNL111111111 0.1470 30 H -3.5706 2.4140 -1.2556 H 1 UNL111111111 0.1459 31 H -3.9012 1.8585 0.4360 H 1 UNL111111111 0.1403 32 H -8.0548 1.4296 -0.1703 H 1 UNL111111111 0.1348 33 H -8.2332 -0.3075 -0.4254 H 1 UNL111111111 0.1358 34 H -8.1249 -0.6872 2.0840 H 1 UNL111111111 0.1356 35 H -7.9486 1.0511 2.3390 H 1 UNL111111111 0.1349 36 H -5.0637 0.9442 -3.7104 H 1 UNL111111111 0.1412 37 H -3.6289 1.9196 -3.3623 H 1 UNL111111111 0.1420 38 H -3.5411 0.6087 -4.5382 H 1 UNL111111111 0.1413 39 H -10.2009 1.4423 1.2347 H 1 UNL111111111 0.1414 40 H -10.3457 0.3563 2.6206 H 1 UNL111111111 0.1412 41 H -10.3773 -0.2974 0.9796 H 1 UNL111111111 0.1423 42 H 0.1684 2.6264 0.4882 H 1 UNL111111111 0.1938 @BOND 1 38 14 1 2 36 14 1 3 14 37 1 4 14 10 1 5 28 10 1 6 10 29 1 7 10 7 1 8 25 8 1 9 24 8 1 10 30 11 1 11 8 7 1 12 8 9 1 13 7 11 1 14 7 23 1 15 11 5 1 16 11 31 1 17 5 16 1 18 33 12 1 19 32 12 1 20 2 20 1 21 4 22 1 22 20 22 ar 23 20 18 ar 24 22 21 ar 25 1 18 1 26 12 9 1 27 12 13 1 28 3 21 1 29 21 19 ar 30 18 17 ar 31 9 26 1 32 9 27 1 33 19 17 ar 34 19 42 1 35 17 16 1 36 16 6 2 37 41 15 1 38 39 15 1 39 15 13 1 40 15 40 1 41 13 34 1 42 13 35 1