REMARK Name = BDB051094 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.441 -1.543 1.155 0.00 0.00 +0.072 A ATOM 2 C LIG 1 1.620 -0.779 2.304 0.00 0.00 +0.135 A ATOM 3 F LIG 1 0.576 -0.234 2.944 0.00 0.00 -0.205 F ATOM 4 C LIG 1 2.895 -0.582 2.825 0.00 0.00 +0.039 A ATOM 5 C LIG 1 4.001 -1.165 2.201 0.00 0.00 +0.007 A ATOM 6 C LIG 1 3.839 -1.951 1.048 0.00 0.00 -0.041 A ATOM 7 C LIG 1 2.545 -2.152 0.543 0.00 0.00 +0.020 A ENDROOT BRANCH 1 9 ATOM 8 O LIG 1 -0.227 -2.965 0.399 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 0.103 -1.797 0.592 0.00 0.00 +0.249 C ATOM 10 N LIG 1 -0.698 -0.726 0.243 0.00 0.00 -0.297 N ATOM 11 C LIG 1 -2.011 -0.954 -0.337 0.00 0.00 +0.115 C ATOM 12 C LIG 1 -2.654 0.443 -0.438 0.00 0.00 -0.009 C ATOM 13 C LIG 1 -3.636 0.539 -1.620 0.00 0.00 +0.027 C ATOM 14 C LIG 1 -5.041 0.098 -1.225 0.00 0.00 +0.108 C ATOM 15 N LIG 1 -5.577 0.906 -0.134 0.00 0.00 -0.301 N ATOM 16 C LIG 1 -6.955 0.930 0.038 0.00 0.00 +0.219 C ATOM 17 O LIG 1 -7.734 0.300 -0.670 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 -4.621 1.626 0.706 0.00 0.00 +0.108 C ATOM 19 C LIG 1 -3.341 0.818 0.905 0.00 0.00 +0.027 C ATOM 20 C LIG 1 -1.404 1.314 -0.695 0.00 0.00 +0.027 C ATOM 21 C LIG 1 -0.321 0.677 0.171 0.00 0.00 +0.108 C BRANCH 16 22 ATOM 22 C LIG 1 -7.492 1.781 1.137 0.00 0.00 +0.075 C ATOM 23 C LIG 1 -8.829 1.453 1.768 0.00 0.00 +0.013 C ATOM 24 C LIG 1 -7.568 1.238 2.548 0.00 0.00 +0.013 C ENDBRANCH 16 22 ENDBRANCH 1 9 BRANCH 6 25 ATOM 25 C LIG 1 5.028 -2.619 0.393 0.00 0.00 +0.093 C BRANCH 25 26 ATOM 26 C LIG 1 6.160 -1.651 0.071 0.00 0.00 +0.074 A ATOM 27 C LIG 1 6.062 -0.753 -1.108 0.00 0.00 +0.011 A ATOM 28 C LIG 1 7.120 0.129 -1.325 0.00 0.00 +0.050 A ATOM 29 C LIG 1 7.101 1.013 -2.410 0.00 0.00 +0.014 A ATOM 30 C LIG 1 6.017 1.012 -3.287 0.00 0.00 +0.001 A ATOM 31 C LIG 1 4.958 0.129 -3.079 0.00 0.00 +0.001 A ATOM 32 C LIG 1 8.267 0.117 -0.402 0.00 0.00 +0.272 A ATOM 33 O LIG 1 9.219 0.874 -0.555 0.00 0.00 -0.266 OA ATOM 34 N LIG 1 8.204 -0.789 0.628 0.00 0.00 -0.242 N ATOM 35 H LIG 1 8.991 -0.820 1.270 0.00 0.00 +0.192 HD ATOM 36 C LIG 1 4.978 -0.754 -1.995 0.00 0.00 +0.010 A ATOM 37 N LIG 1 7.183 -1.652 0.876 0.00 0.00 -0.175 NA ENDBRANCH 25 26 ENDBRANCH 6 25 TORSDOF 4