REMARK Name = BDB047681 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.395 0.029 -1.366 0.00 0.00 +0.232 C ENDROOT BRANCH 1 2 ATOM 2 O LIG 1 -2.484 -0.318 -0.510 0.00 0.00 -0.491 OA BRANCH 2 11 ATOM 3 C LIG 1 -4.665 -0.064 0.313 0.00 0.00 +0.040 A ATOM 4 C LIG 1 -5.835 0.706 0.342 0.00 0.00 +0.174 A ATOM 5 C LIG 1 -6.035 1.875 -0.367 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -7.353 2.276 -0.016 0.00 0.00 +0.193 A ATOM 7 N LIG 1 -7.905 1.412 0.853 0.00 0.00 -0.073 NA ATOM 8 C LIG 1 -4.999 2.351 -1.183 0.00 0.00 +0.017 A ATOM 9 C LIG 1 -3.801 1.621 -1.241 0.00 0.00 +0.047 A ATOM 10 O LIG 1 -6.952 0.433 1.070 0.00 0.00 -0.354 OA ATOM 11 C LIG 1 -3.629 0.436 -0.511 0.00 0.00 +0.127 A BRANCH 6 12 ATOM 12 C LIG 1 -8.080 3.486 -0.487 0.00 0.00 +0.438 C ATOM 13 F LIG 1 -9.432 3.357 -0.447 0.00 0.00 -0.164 F ATOM 14 F LIG 1 -7.768 4.583 0.255 0.00 0.00 -0.164 F ATOM 15 F LIG 1 -7.765 3.798 -1.775 0.00 0.00 -0.164 F ENDBRANCH 6 12 BRANCH 3 16 ATOM 16 C LIG 1 -4.510 -1.322 1.130 0.00 0.00 +0.042 C BRANCH 16 18 ATOM 17 C LIG 1 -3.697 -2.309 3.300 0.00 0.00 +0.004 C ATOM 18 C LIG 1 -3.851 -1.038 2.481 0.00 0.00 +0.001 C ENDBRANCH 16 18 ENDBRANCH 3 16 ENDBRANCH 2 11 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 C LIG 1 -0.456 1.032 -0.696 0.00 0.00 +0.082 C BRANCH 19 20 ATOM 20 C LIG 1 0.184 0.473 0.577 0.00 0.00 +0.232 C BRANCH 20 21 ATOM 21 O LIG 1 0.963 -0.692 0.306 0.00 0.00 -0.492 OA BRANCH 21 22 ATOM 22 C LIG 1 2.260 -0.547 -0.105 0.00 0.00 +0.121 A ATOM 23 C LIG 1 2.932 0.661 -0.309 0.00 0.00 +0.055 A ATOM 24 C LIG 1 4.277 0.651 -0.742 0.00 0.00 +0.003 A ATOM 25 C LIG 1 5.214 1.678 -1.038 0.00 0.00 +0.028 A ATOM 26 C LIG 1 6.388 1.076 -1.423 0.00 0.00 +0.087 A ATOM 27 N LIG 1 6.206 -0.284 -1.363 0.00 0.00 -0.346 N ATOM 28 C LIG 1 4.917 -0.572 -0.960 0.00 0.00 +0.049 A ATOM 29 C LIG 1 4.255 -1.792 -0.763 0.00 0.00 +0.030 A ATOM 30 C LIG 1 2.924 -1.752 -0.333 0.00 0.00 +0.048 A BRANCH 27 31 ATOM 31 C LIG 1 7.242 -1.251 -1.697 0.00 0.00 +0.133 C BRANCH 31 32 ATOM 32 C LIG 1 8.204 -1.500 -0.546 0.00 0.00 +0.142 C BRANCH 32 33 ATOM 33 C LIG 1 7.567 -2.362 0.501 0.00 0.00 +0.306 C ATOM 34 O LIG 1 7.033 -3.442 0.312 0.00 0.00 -0.251 OA BRANCH 33 35 ATOM 35 O LIG 1 7.659 -1.841 1.737 0.00 0.00 -0.481 OA ATOM 36 H LIG 1 7.179 -2.476 2.310 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 27 31 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 13