REMARK Name = BDB008359 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.221 -0.218 -0.767 0.00 0.00 +0.072 A ATOM 2 C LIG 1 0.295 -1.547 -1.166 0.00 0.00 +0.135 A ATOM 3 F LIG 1 -0.581 -2.053 -2.043 0.00 0.00 -0.205 F ATOM 4 C LIG 1 1.274 -2.378 -0.636 0.00 0.00 +0.039 A ATOM 5 C LIG 1 2.200 -1.867 0.279 0.00 0.00 +0.007 A ATOM 6 C LIG 1 2.166 -0.513 0.655 0.00 0.00 -0.041 A ATOM 7 C LIG 1 1.154 0.308 0.135 0.00 0.00 +0.020 A ENDROOT BRANCH 1 11 ATOM 8 C LIG 1 -2.316 3.271 -0.534 0.00 0.00 +0.036 C ATOM 9 C LIG 1 -2.873 1.945 -1.068 0.00 0.00 +0.141 C ATOM 10 N LIG 1 -2.020 0.810 -0.656 0.00 0.00 -0.284 N ATOM 11 C LIG 1 -0.803 0.671 -1.326 0.00 0.00 +0.250 C ATOM 12 O LIG 1 -0.496 1.311 -2.327 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 -2.332 0.161 0.627 0.00 0.00 +0.150 C ATOM 14 C LIG 1 -3.816 -0.265 0.775 0.00 0.00 +0.178 C ATOM 15 N LIG 1 -4.699 0.755 0.223 0.00 0.00 -0.288 N ATOM 16 C LIG 1 -6.049 0.919 0.405 0.00 0.00 +0.239 A ATOM 17 N LIG 1 -6.422 2.002 -0.255 0.00 0.00 -0.125 NA ATOM 18 N LIG 1 -5.321 2.527 -0.887 0.00 0.00 -0.132 NA ATOM 19 C LIG 1 -4.285 1.765 -0.605 0.00 0.00 +0.155 A BRANCH 16 20 ATOM 20 C LIG 1 -6.900 0.003 1.205 0.00 0.00 +0.452 C ATOM 21 F LIG 1 -8.065 0.586 1.597 0.00 0.00 -0.163 F ATOM 22 F LIG 1 -6.282 -0.396 2.353 0.00 0.00 -0.163 F ATOM 23 F LIG 1 -7.241 -1.125 0.531 0.00 0.00 -0.163 F ENDBRANCH 16 20 BRANCH 14 24 ATOM 24 N LIG 1 -4.244 -1.553 0.198 0.00 0.00 -0.287 NA ATOM 25 C LIG 1 -3.748 -2.689 0.975 0.00 0.00 +0.106 C ATOM 26 C LIG 1 -3.922 -1.733 -1.218 0.00 0.00 +0.106 C ENDBRANCH 14 24 ENDBRANCH 1 11 BRANCH 6 27 ATOM 27 C LIG 1 3.172 0.052 1.634 0.00 0.00 +0.093 C BRANCH 27 28 ATOM 28 C LIG 1 4.611 -0.352 1.337 0.00 0.00 +0.074 A ATOM 29 C LIG 1 5.356 0.301 0.230 0.00 0.00 +0.011 A ATOM 30 C LIG 1 6.665 -0.125 0.008 0.00 0.00 +0.050 A ATOM 31 C LIG 1 7.435 0.436 -1.017 0.00 0.00 +0.014 A ATOM 32 C LIG 1 6.890 1.430 -1.828 0.00 0.00 +0.001 A ATOM 33 C LIG 1 5.582 1.861 -1.612 0.00 0.00 +0.001 A ATOM 34 C LIG 1 7.233 -1.177 0.866 0.00 0.00 +0.272 A ATOM 35 O LIG 1 8.380 -1.582 0.710 0.00 0.00 -0.266 OA ATOM 36 N LIG 1 6.406 -1.673 1.843 0.00 0.00 -0.242 N ATOM 37 H LIG 1 6.785 -2.397 2.447 0.00 0.00 +0.192 HD ATOM 38 C LIG 1 4.814 1.301 -0.586 0.00 0.00 +0.010 A ATOM 39 N LIG 1 5.126 -1.284 2.086 0.00 0.00 -0.175 NA ENDBRANCH 27 28 ENDBRANCH 6 27 TORSDOF 5