REMARK Name = BDB007952 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.074 -1.458 0.161 0.00 0.00 +0.230 C ATOM 2 N LIG 1 -0.844 -1.453 -0.886 0.00 0.00 -0.289 N ATOM 3 O LIG 1 0.529 -2.512 0.619 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 4 ATOM 4 C LIG 1 0.547 -0.119 0.751 0.00 0.00 +0.180 C BRANCH 4 8 ATOM 5 C LIG 1 4.065 2.018 -0.039 0.00 0.00 +0.063 C ATOM 6 C LIG 1 2.743 2.703 -0.429 0.00 0.00 +0.027 C ATOM 7 C LIG 1 1.560 2.017 0.248 0.00 0.00 +0.085 C ATOM 8 N LIG 1 1.399 0.628 -0.202 0.00 0.00 -0.294 NA ATOM 9 C LIG 1 2.671 -0.050 -0.495 0.00 0.00 +0.085 C ATOM 10 C LIG 1 3.865 0.526 0.267 0.00 0.00 +0.027 C BRANCH 5 12 ATOM 11 O LIG 1 4.821 2.198 -2.328 0.00 0.00 -0.292 OA ATOM 12 C LIG 1 5.118 2.190 -1.134 0.00 0.00 +0.166 C BRANCH 12 13 ATOM 13 C LIG 1 6.561 2.332 -0.758 0.00 0.00 +0.018 A ATOM 14 C LIG 1 7.456 2.785 -1.741 0.00 0.00 +0.014 A ATOM 15 C LIG 1 8.814 2.936 -1.448 0.00 0.00 +0.039 A ATOM 16 C LIG 1 9.276 2.629 -0.175 0.00 0.00 +0.123 A ATOM 17 F LIG 1 10.576 2.772 0.109 0.00 0.00 -0.205 F ATOM 18 C LIG 1 8.407 2.171 0.808 0.00 0.00 +0.039 A ATOM 19 C LIG 1 7.047 2.019 0.519 0.00 0.00 +0.014 A ENDBRANCH 12 13 ENDBRANCH 5 12 ENDBRANCH 4 8 ENDBRANCH 1 4 BRANCH 2 20 ATOM 20 C LIG 1 -1.529 -0.245 -1.363 0.00 0.00 +0.182 C BRANCH 20 21 ATOM 21 C LIG 1 -2.866 -0.056 -0.649 0.00 0.00 +0.127 A ATOM 22 N LIG 1 -3.986 -0.153 -1.431 0.00 0.00 -0.309 N ATOM 23 H LIG 1 -3.930 -0.376 -2.413 0.00 0.00 +0.170 HD ATOM 24 C LIG 1 -5.245 -0.104 -0.911 0.00 0.00 +0.257 A ATOM 25 O LIG 1 -6.244 -0.269 -1.603 0.00 0.00 -0.267 OA ATOM 26 C LIG 1 -5.314 0.143 0.536 0.00 0.00 +0.064 A ATOM 27 C LIG 1 -6.660 0.221 1.179 0.00 0.00 +0.202 C ATOM 28 O LIG 1 -6.589 0.716 2.526 0.00 0.00 -0.375 OA ATOM 29 C LIG 1 -5.551 0.075 3.271 0.00 0.00 +0.166 C ATOM 30 C LIG 1 -4.187 0.457 2.697 0.00 0.00 +0.084 C ATOM 31 C LIG 1 -4.156 0.263 1.203 0.00 0.00 +0.056 A ATOM 32 N LIG 1 -2.912 0.169 0.627 0.00 0.00 -0.237 NA ENDBRANCH 20 21 ENDBRANCH 2 20 BRANCH 2 33 ATOM 33 C LIG 1 -1.240 -2.739 -1.463 0.00 0.00 +0.143 C BRANCH 33 34 ATOM 34 C LIG 1 -2.619 -3.197 -1.043 0.00 0.00 -0.027 A ATOM 35 C LIG 1 -2.946 -3.336 0.314 0.00 0.00 +0.043 A ATOM 36 C LIG 1 -4.230 -3.721 0.686 0.00 0.00 +0.124 A ATOM 37 F LIG 1 -4.541 -3.815 1.986 0.00 0.00 -0.205 F ATOM 38 C LIG 1 -5.199 -3.996 -0.270 0.00 0.00 +0.038 A ATOM 39 C LIG 1 -4.879 -3.891 -1.622 0.00 0.00 +0.003 A ATOM 40 C LIG 1 -3.595 -3.498 -2.008 0.00 0.00 +0.005 A ENDBRANCH 33 34 ENDBRANCH 2 33 TORSDOF 8