REMARK Name = BDB024027 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.491 -0.874 -1.371 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -2.325 -0.118 -1.175 0.00 0.00 +0.018 A ATOM 3 C LIG 1 -1.104 -0.733 -0.859 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -1.067 -2.120 -0.763 0.00 0.00 +0.134 A ATOM 5 F LIG 1 0.085 -2.737 -0.473 0.00 0.00 -0.205 F ATOM 6 C LIG 1 -2.206 -2.891 -0.968 0.00 0.00 +0.039 A ATOM 7 C LIG 1 -3.416 -2.270 -1.274 0.00 0.00 +0.007 A ENDROOT BRANCH 3 8 ATOM 8 P LIG 1 0.337 0.244 -0.596 0.00 0.00 +0.122 P ATOM 9 C LIG 1 1.639 -0.256 -1.722 0.00 0.00 +0.093 C ATOM 10 C LIG 1 2.944 0.430 -1.354 0.00 0.00 +0.116 C ATOM 11 N LIG 1 3.340 0.081 0.020 0.00 0.00 -0.299 N ATOM 12 C LIG 1 2.444 0.521 1.103 0.00 0.00 +0.116 C ATOM 13 C LIG 1 1.090 -0.158 0.981 0.00 0.00 +0.093 C ATOM 14 O LIG 1 0.101 1.734 -0.692 0.00 0.00 -0.316 OA BRANCH 11 15 ATOM 15 C LIG 1 4.694 0.372 0.284 0.00 0.00 +0.218 A ATOM 16 N LIG 1 5.558 0.443 -0.744 0.00 0.00 -0.214 NA ATOM 17 C LIG 1 6.853 0.688 -0.499 0.00 0.00 +0.076 A ATOM 18 C LIG 1 7.345 0.870 0.791 0.00 0.00 +0.019 A ATOM 19 C LIG 1 8.711 1.127 1.027 0.00 0.00 +0.011 A ATOM 20 C LIG 1 9.596 1.202 -0.045 0.00 0.00 +0.001 A ATOM 21 C LIG 1 9.118 1.022 -1.339 0.00 0.00 +0.002 A ATOM 22 C LIG 1 6.393 0.776 1.787 0.00 0.00 +0.124 A ATOM 23 C LIG 1 7.758 0.768 -1.552 0.00 0.00 +0.028 A ATOM 24 N LIG 1 5.089 0.531 1.558 0.00 0.00 -0.222 NA ENDBRANCH 11 15 ENDBRANCH 3 8 BRANCH 1 25 ATOM 25 C LIG 1 -4.798 -0.193 -1.713 0.00 0.00 +0.093 C BRANCH 25 33 ATOM 26 O LIG 1 -8.933 -1.664 1.663 0.00 0.00 -0.266 OA ATOM 27 C LIG 1 -8.002 -1.292 0.957 0.00 0.00 +0.272 A ATOM 28 C LIG 1 -7.056 -0.261 1.414 0.00 0.00 +0.050 A ATOM 29 C LIG 1 -6.014 0.127 0.573 0.00 0.00 +0.011 A ATOM 30 C LIG 1 -5.119 1.113 1.005 0.00 0.00 +0.010 A ATOM 31 C LIG 1 -5.271 1.695 2.268 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -6.313 1.299 3.104 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -5.925 -0.545 -0.750 0.00 0.00 +0.074 A ATOM 34 N LIG 1 -6.772 -1.453 -1.139 0.00 0.00 -0.175 NA ATOM 35 C LIG 1 -7.209 0.320 2.679 0.00 0.00 +0.014 A ATOM 36 N LIG 1 -7.781 -1.802 -0.298 0.00 0.00 -0.242 N ATOM 37 H LIG 1 -8.426 -2.512 -0.630 0.00 0.00 +0.192 HD ENDBRANCH 25 33 ENDBRANCH 1 25 TORSDOF 4