REMARK Name = BDB024010 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.283 -0.871 -0.622 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -1.150 -0.235 -0.089 0.00 0.00 +0.018 A ATOM 3 C LIG 1 -0.071 0.155 -0.904 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -0.149 -0.119 -2.264 0.00 0.00 +0.134 A ATOM 5 F LIG 1 0.847 0.230 -3.086 0.00 0.00 -0.205 F ATOM 6 C LIG 1 -1.252 -0.765 -2.813 0.00 0.00 +0.039 A ATOM 7 C LIG 1 -2.314 -1.145 -1.995 0.00 0.00 +0.007 A ENDROOT BRANCH 3 8 ATOM 8 P LIG 1 1.302 0.966 -0.147 0.00 0.00 +0.122 P ATOM 9 C LIG 1 2.565 1.537 -1.294 0.00 0.00 +0.093 C ATOM 10 C LIG 1 3.517 0.416 -1.669 0.00 0.00 +0.116 C ATOM 11 N LIG 1 4.231 -0.097 -0.499 0.00 0.00 -0.299 N ATOM 12 C LIG 1 3.672 0.060 0.843 0.00 0.00 +0.116 C ATOM 13 C LIG 1 2.193 -0.273 0.826 0.00 0.00 +0.093 C ATOM 14 O LIG 1 0.902 2.110 0.757 0.00 0.00 -0.316 OA BRANCH 11 15 ATOM 15 C LIG 1 5.074 -1.177 -0.738 0.00 0.00 +0.218 A ATOM 16 N LIG 1 5.583 -1.858 0.302 0.00 0.00 -0.223 NA ATOM 17 C LIG 1 6.409 -2.889 0.041 0.00 0.00 +0.116 A ATOM 18 C LIG 1 6.754 -3.281 -1.225 0.00 0.00 +0.039 A ATOM 19 C LIG 1 6.192 -2.539 -2.229 0.00 0.00 +0.116 A ATOM 20 N LIG 1 5.362 -1.501 -2.012 0.00 0.00 -0.223 NA ENDBRANCH 11 15 ENDBRANCH 3 8 BRANCH 1 21 ATOM 21 C LIG 1 -3.429 -1.326 0.255 0.00 0.00 +0.093 C BRANCH 21 29 ATOM 22 O LIG 1 -4.511 1.835 4.668 0.00 0.00 -0.266 OA ATOM 23 C LIG 1 -4.282 1.189 3.651 0.00 0.00 +0.272 A ATOM 24 C LIG 1 -4.705 1.665 2.324 0.00 0.00 +0.050 A ATOM 25 C LIG 1 -4.441 0.881 1.203 0.00 0.00 +0.011 A ATOM 26 C LIG 1 -4.839 1.333 -0.061 0.00 0.00 +0.010 A ATOM 27 C LIG 1 -5.496 2.560 -0.190 0.00 0.00 +0.001 A ATOM 28 C LIG 1 -5.760 3.339 0.936 0.00 0.00 +0.001 A ATOM 29 C LIG 1 -3.738 -0.408 1.430 0.00 0.00 +0.074 A ATOM 30 N LIG 1 -3.360 -0.812 2.608 0.00 0.00 -0.175 NA ATOM 31 C LIG 1 -5.366 2.893 2.197 0.00 0.00 +0.014 A ATOM 32 N LIG 1 -3.626 -0.017 3.679 0.00 0.00 -0.242 N ATOM 33 H LIG 1 -3.323 -0.359 4.586 0.00 0.00 +0.192 HD ENDBRANCH 21 29 ENDBRANCH 1 21 TORSDOF 4