REMARK Name = BDB009512 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.657 0.033 2.340 0.00 0.00 +0.076 C ATOM 2 C LIG 1 -2.898 1.354 2.482 0.00 0.00 +0.041 C ATOM 3 C LIG 1 -1.937 1.582 1.322 0.00 0.00 +0.110 C ATOM 4 N LIG 1 -1.046 0.444 1.101 0.00 0.00 -0.297 N ATOM 5 C LIG 1 0.225 0.727 0.591 0.00 0.00 +0.249 C ATOM 6 O LIG 1 0.720 1.852 0.566 0.00 0.00 -0.270 OA ATOM 7 C LIG 1 -1.677 -0.874 1.028 0.00 0.00 +0.110 C ATOM 8 C LIG 1 -2.667 -1.119 2.162 0.00 0.00 +0.041 C ENDROOT BRANCH 5 9 ATOM 9 C LIG 1 1.071 -0.366 0.091 0.00 0.00 +0.072 A ATOM 10 C LIG 1 0.753 -1.036 -1.086 0.00 0.00 +0.135 A ATOM 11 F LIG 1 -0.368 -0.745 -1.763 0.00 0.00 -0.205 F ATOM 12 C LIG 1 1.593 -2.030 -1.574 0.00 0.00 +0.039 A ATOM 13 C LIG 1 2.775 -2.336 -0.893 0.00 0.00 +0.007 A ATOM 14 C LIG 1 3.130 -1.641 0.274 0.00 0.00 -0.041 A ATOM 15 C LIG 1 2.261 -0.657 0.769 0.00 0.00 +0.020 A BRANCH 14 16 ATOM 16 C LIG 1 4.421 -1.953 0.999 0.00 0.00 +0.094 C BRANCH 16 17 ATOM 17 C LIG 1 5.652 -1.854 0.108 0.00 0.00 +0.087 A ATOM 18 C LIG 1 6.238 -0.498 -0.179 0.00 0.00 +0.059 A ATOM 19 N LIG 1 5.650 0.670 0.298 0.00 0.00 -0.342 N ATOM 20 H LIG 1 4.641 0.607 0.409 0.00 0.00 +0.146 HD ATOM 21 C LIG 1 6.079 1.969 -0.215 0.00 0.00 +0.102 C ATOM 22 C LIG 1 7.597 1.977 -0.369 0.00 0.00 +0.023 C ATOM 23 C LIG 1 8.070 0.806 -1.241 0.00 0.00 +0.044 C ATOM 24 C LIG 1 7.363 -0.480 -0.911 0.00 0.00 +0.041 A ATOM 25 C LIG 1 7.934 -1.739 -1.438 0.00 0.00 +0.270 A ATOM 26 O LIG 1 8.953 -1.750 -2.122 0.00 0.00 -0.266 OA ATOM 27 N LIG 1 7.252 -2.885 -1.129 0.00 0.00 -0.243 N ATOM 28 H LIG 1 7.635 -3.759 -1.476 0.00 0.00 +0.192 HD ATOM 29 N LIG 1 6.135 -2.970 -0.356 0.00 0.00 -0.174 NA ENDBRANCH 16 17 ENDBRANCH 14 16 ENDBRANCH 5 9 BRANCH 1 32 ATOM 30 O LIG 1 -6.239 1.200 2.451 0.00 0.00 -0.270 OA ATOM 31 C LIG 1 -5.849 0.710 1.398 0.00 0.00 +0.244 C ATOM 32 N LIG 1 -4.629 0.081 1.252 0.00 0.00 -0.308 N ATOM 33 H LIG 1 -4.408 -0.365 0.373 0.00 0.00 +0.149 HD BRANCH 31 34 ATOM 34 C LIG 1 -6.717 0.748 0.189 0.00 0.00 +0.039 A ATOM 35 C LIG 1 -6.166 0.867 -1.099 0.00 0.00 +0.040 A ATOM 36 C LIG 1 -7.064 0.899 -2.173 0.00 0.00 +0.066 A ATOM 37 C LIG 1 -8.444 0.825 -2.011 0.00 0.00 +0.020 A ATOM 38 C LIG 1 -8.958 0.889 -3.325 0.00 0.00 +0.142 A ATOM 39 N LIG 1 -7.999 0.996 -4.249 0.00 0.00 -0.181 NA ATOM 40 C LIG 1 -8.982 0.723 -0.717 0.00 0.00 +0.012 A ATOM 41 N LIG 1 -6.867 1.014 -3.525 0.00 0.00 -0.277 N ATOM 42 H LIG 1 -5.986 1.104 -4.018 0.00 0.00 +0.189 HD ATOM 43 C LIG 1 -8.105 0.691 0.375 0.00 0.00 +0.014 A ENDBRANCH 31 34 ENDBRANCH 1 32 TORSDOF 5