REMARK Name = BDB051102 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.805 -1.325 1.752 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -2.248 -2.642 1.683 0.00 0.00 +0.135 A ATOM 3 F LIG 1 -1.428 -3.631 1.300 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -3.554 -2.965 2.038 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -4.423 -1.964 2.479 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -3.990 -0.632 2.575 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -2.667 -0.324 2.224 0.00 0.00 +0.020 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 5.008 0.936 -1.342 0.00 0.00 +0.403 C ATOM 9 N LIG 1 3.810 0.302 -1.027 0.00 0.00 -0.267 N ATOM 10 C LIG 1 3.775 -1.117 -0.664 0.00 0.00 +0.113 C ATOM 11 C LIG 1 2.559 -1.471 0.188 0.00 0.00 +0.045 C ATOM 12 C LIG 1 1.300 -0.959 -0.500 0.00 0.00 +0.042 C ATOM 13 N LIG 1 0.081 -1.393 0.198 0.00 0.00 -0.291 N ATOM 14 C LIG 1 -0.424 -0.947 1.396 0.00 0.00 +0.250 C ATOM 15 O LIG 1 0.195 -0.214 2.164 0.00 0.00 -0.270 OA ATOM 16 C LIG 1 -0.589 -1.847 -1.012 0.00 0.00 +0.111 C ATOM 17 C LIG 1 0.783 -1.804 -1.692 0.00 0.00 +0.045 C ATOM 18 C LIG 1 1.357 0.550 -0.721 0.00 0.00 +0.045 C ATOM 19 C LIG 1 2.584 0.884 -1.565 0.00 0.00 +0.113 C ATOM 20 O LIG 1 5.070 2.032 -1.885 0.00 0.00 -0.226 OA BRANCH 8 21 ATOM 21 O LIG 1 6.091 0.199 -0.984 0.00 0.00 -0.445 OA BRANCH 21 23 ATOM 22 C LIG 1 8.347 -0.429 -0.664 0.00 0.00 +0.055 C ATOM 23 C LIG 1 7.439 0.684 -1.211 0.00 0.00 +0.107 C ATOM 24 C LIG 1 7.726 0.857 -2.706 0.00 0.00 +0.055 C ATOM 25 C LIG 1 7.711 1.968 -0.420 0.00 0.00 +0.055 C ENDBRANCH 21 23 ENDBRANCH 8 21 ENDBRANCH 1 14 BRANCH 6 26 ATOM 26 C LIG 1 -4.925 0.444 3.083 0.00 0.00 +0.093 C BRANCH 26 27 ATOM 27 C LIG 1 -6.185 0.581 2.238 0.00 0.00 +0.074 A ATOM 28 C LIG 1 -6.158 1.366 0.976 0.00 0.00 +0.011 A ATOM 29 C LIG 1 -7.338 1.421 0.237 0.00 0.00 +0.050 A ATOM 30 C LIG 1 -7.396 2.136 -0.966 0.00 0.00 +0.014 A ATOM 31 C LIG 1 -6.264 2.801 -1.432 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -5.081 2.754 -0.697 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -8.533 0.723 0.737 0.00 0.00 +0.272 A ATOM 34 O LIG 1 -9.592 0.743 0.119 0.00 0.00 -0.266 OA ATOM 35 N LIG 1 -8.389 0.057 1.928 0.00 0.00 -0.242 N ATOM 36 H LIG 1 -9.205 -0.428 2.290 0.00 0.00 +0.192 HD ATOM 37 C LIG 1 -5.024 2.040 0.505 0.00 0.00 +0.010 A ATOM 38 N LIG 1 -7.252 -0.028 2.668 0.00 0.00 -0.175 NA ENDBRANCH 26 27 ENDBRANCH 6 26 TORSDOF 5