REMARK Name = BDB021090 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.424 -1.256 1.146 0.00 0.00 +0.011 A ATOM 2 C LIG 1 1.573 -0.719 0.501 0.00 0.00 +0.010 A ATOM 3 C LIG 1 2.838 -1.268 0.783 0.00 0.00 +0.072 A ATOM 4 N LIG 1 3.967 -0.825 0.208 0.00 0.00 -0.246 NA ATOM 5 C LIG 1 3.905 0.189 -0.691 0.00 0.00 +0.083 A ATOM 6 C LIG 1 2.719 0.828 -1.026 0.00 0.00 +0.044 A ATOM 7 C LIG 1 2.932 -2.315 1.689 0.00 0.00 +0.028 A ATOM 8 C LIG 1 1.810 -2.838 2.333 0.00 0.00 +0.003 A ATOM 9 C LIG 1 1.548 0.348 -0.424 0.00 0.00 +0.022 A ATOM 10 C LIG 1 0.556 -2.308 2.062 0.00 0.00 +0.011 A ENDROOT BRANCH 1 20 ATOM 11 C LIG 1 -3.409 -5.072 0.849 0.00 0.00 +0.109 C ATOM 12 C LIG 1 -4.184 -4.011 0.110 0.00 0.00 +0.213 C ATOM 13 N LIG 1 -3.459 -3.049 -0.575 0.00 0.00 -0.294 N ATOM 14 C LIG 1 -2.046 -2.757 -0.336 0.00 0.00 +0.163 C ATOM 15 C LIG 1 -1.933 -1.397 0.262 0.00 0.00 +0.064 A ATOM 16 N LIG 1 -2.957 -0.473 0.218 0.00 0.00 -0.328 N ATOM 17 C LIG 1 -2.526 0.683 0.819 0.00 0.00 +0.114 A ATOM 18 N LIG 1 -1.274 0.549 1.215 0.00 0.00 -0.232 NA ATOM 19 C LIG 1 -4.263 -0.748 -0.362 0.00 0.00 +0.142 C ATOM 20 C LIG 1 -0.902 -0.730 0.888 0.00 0.00 +0.094 A ATOM 21 C LIG 1 -4.192 -1.982 -1.258 0.00 0.00 +0.129 C ATOM 22 O LIG 1 -5.415 -4.019 0.123 0.00 0.00 -0.276 OA BRANCH 17 23 ATOM 23 C LIG 1 -3.359 1.925 0.977 0.00 0.00 +0.059 C ATOM 24 C LIG 1 -3.119 2.587 2.345 0.00 0.00 +0.039 C ATOM 25 C LIG 1 -2.103 3.713 2.221 0.00 0.00 +0.160 C ATOM 26 O LIG 1 -2.563 4.758 1.360 0.00 0.00 -0.380 OA ATOM 27 C LIG 1 -3.354 4.331 0.253 0.00 0.00 +0.160 C ATOM 28 C LIG 1 -3.068 2.900 -0.175 0.00 0.00 +0.039 C ENDBRANCH 17 23 ENDBRANCH 1 20 BRANCH 5 29 ATOM 29 C LIG 1 5.200 0.555 -1.229 0.00 0.00 +0.038 A ATOM 30 C LIG 1 5.520 0.704 -2.563 0.00 0.00 +0.118 A ATOM 31 N LIG 1 6.853 0.999 -2.604 0.00 0.00 -0.274 N ATOM 32 C LIG 1 7.654 1.239 -3.780 0.00 0.00 +0.172 C ATOM 33 N LIG 1 7.429 1.045 -1.390 0.00 0.00 -0.179 NA ATOM 34 C LIG 1 6.430 0.733 -0.558 0.00 0.00 +0.144 A ENDBRANCH 5 29 BRANCH 6 35 ATOM 35 C LIG 1 2.656 1.985 -1.975 0.00 0.00 +0.374 C ATOM 36 F LIG 1 2.731 1.596 -3.280 0.00 0.00 -0.204 F ATOM 37 F LIG 1 1.487 2.688 -1.885 0.00 0.00 -0.204 F ENDBRANCH 6 35 TORSDOF 4