REMARK Name = BDB030524 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.046 -1.127 -0.893 0.00 0.00 +0.163 A ATOM 2 C LIG 1 -0.733 -0.726 -1.127 0.00 0.00 +0.203 A ATOM 3 F LIG 1 -0.446 0.305 -1.942 0.00 0.00 -0.198 F ATOM 4 C LIG 1 0.296 -1.415 -0.492 0.00 0.00 +0.159 A ATOM 5 N LIG 1 0.041 -2.462 0.311 0.00 0.00 -0.218 NA ATOM 6 C LIG 1 -1.246 -2.799 0.462 0.00 0.00 +0.225 A ATOM 7 N LIG 1 -2.299 -2.186 -0.095 0.00 0.00 -0.218 NA ENDROOT BRANCH 4 8 ATOM 8 N LIG 1 1.633 -1.044 -0.762 0.00 0.00 -0.326 N ATOM 9 H LIG 1 1.700 -0.030 -0.760 0.00 0.00 +0.148 HD BRANCH 8 10 ATOM 10 C LIG 1 2.639 -1.707 0.064 0.00 0.00 +0.106 C BRANCH 10 11 ATOM 11 C LIG 1 4.052 -1.260 -0.358 0.00 0.00 +0.008 C ATOM 12 C LIG 1 4.378 0.184 0.074 0.00 0.00 +0.020 C ATOM 13 C LIG 1 5.113 0.233 1.414 0.00 0.00 +0.085 C ATOM 14 N LIG 1 6.366 -0.528 1.427 0.00 0.00 -0.294 NA ATOM 15 C LIG 1 6.447 -1.574 0.401 0.00 0.00 +0.085 C ATOM 16 C LIG 1 5.095 -2.250 0.191 0.00 0.00 +0.020 C BRANCH 14 17 ATOM 17 C LIG 1 7.579 0.308 1.414 0.00 0.00 +0.180 C BRANCH 17 18 ATOM 18 C LIG 1 7.737 1.087 2.724 0.00 0.00 +0.225 C ATOM 19 O LIG 1 7.937 0.573 3.820 0.00 0.00 -0.275 OA ATOM 20 N LIG 1 7.654 2.449 2.611 0.00 0.00 -0.328 N ATOM 21 H LIG 1 7.212 2.883 1.815 0.00 0.00 +0.145 HD ATOM 22 H LIG 1 7.655 2.959 3.486 0.00 0.00 +0.145 HD ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 10 11 ENDBRANCH 8 10 ENDBRANCH 4 8 BRANCH 1 23 ATOM 23 N LIG 1 -3.139 -0.469 -1.521 0.00 0.00 -0.303 N BRANCH 23 24 ATOM 24 C LIG 1 -4.426 -1.203 -1.564 0.00 0.00 +0.076 C ATOM 25 C LIG 1 -4.578 -2.430 -2.427 0.00 0.00 +0.024 C ATOM 26 C LIG 1 -5.317 -1.176 -2.777 0.00 0.00 +0.024 C ENDBRANCH 23 24 BRANCH 23 28 ATOM 27 C LIG 1 -3.291 1.700 -2.675 0.00 0.00 +0.033 C ATOM 28 C LIG 1 -3.179 1.001 -1.314 0.00 0.00 +0.102 C BRANCH 28 29 ATOM 29 C LIG 1 -4.231 1.418 -0.284 0.00 0.00 -0.027 A ATOM 30 C LIG 1 -3.956 1.230 1.082 0.00 0.00 +0.006 A ATOM 31 C LIG 1 -4.888 1.583 2.062 0.00 0.00 +0.009 A ATOM 32 C LIG 1 -6.127 2.124 1.700 0.00 0.00 +0.017 A ATOM 33 C LIG 1 -6.409 2.313 0.342 0.00 0.00 +0.009 A ATOM 34 C LIG 1 -5.476 1.959 -0.638 0.00 0.00 +0.006 A BRANCH 32 35 ATOM 35 C LIG 1 -7.121 2.535 2.755 0.00 0.00 +0.372 C ATOM 36 F LIG 1 -7.048 1.776 3.885 0.00 0.00 -0.204 F ATOM 37 F LIG 1 -8.415 2.447 2.334 0.00 0.00 -0.204 F ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 23 28 ENDBRANCH 1 23 TORSDOF 10