REMARK Name = BDB024024 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.296 -1.805 -0.063 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -1.425 -1.337 0.932 0.00 0.00 +0.018 A ATOM 3 C LIG 1 -0.168 -0.797 0.613 0.00 0.00 +0.047 A ATOM 4 C LIG 1 0.205 -0.755 -0.726 0.00 0.00 +0.134 A ATOM 5 F LIG 1 1.397 -0.258 -1.076 0.00 0.00 -0.205 F ATOM 6 C LIG 1 -0.633 -1.230 -1.730 0.00 0.00 +0.039 A ATOM 7 C LIG 1 -1.881 -1.756 -1.400 0.00 0.00 +0.007 A ENDROOT BRANCH 3 8 ATOM 8 P LIG 1 0.872 -0.205 1.909 0.00 0.00 +0.122 P ATOM 9 C LIG 1 1.594 1.393 1.509 0.00 0.00 +0.093 C ATOM 10 C LIG 1 2.991 1.458 2.094 0.00 0.00 +0.114 C ATOM 11 N LIG 1 3.896 0.518 1.410 0.00 0.00 -0.314 N ATOM 12 C LIG 1 3.461 -0.873 1.203 0.00 0.00 +0.114 C ATOM 13 C LIG 1 2.312 -1.271 2.107 0.00 0.00 +0.093 C ATOM 14 O LIG 1 0.166 -0.107 3.244 0.00 0.00 -0.316 OA BRANCH 11 15 ATOM 15 C LIG 1 4.617 1.066 0.335 0.00 0.00 +0.122 A ATOM 16 N LIG 1 4.290 2.292 -0.128 0.00 0.00 -0.240 NA ATOM 17 C LIG 1 4.983 2.811 -1.165 0.00 0.00 +0.113 A ATOM 18 C LIG 1 6.029 2.164 -1.789 0.00 0.00 +0.032 A ATOM 19 C LIG 1 6.397 0.908 -1.312 0.00 0.00 +0.059 A ATOM 20 C LIG 1 5.675 0.361 -0.241 0.00 0.00 +0.056 A BRANCH 19 21 ATOM 21 C LIG 1 7.522 0.135 -1.941 0.00 0.00 +0.418 C ATOM 22 F LIG 1 8.386 0.916 -2.646 0.00 0.00 -0.166 F ATOM 23 F LIG 1 7.072 -0.808 -2.814 0.00 0.00 -0.166 F ATOM 24 F LIG 1 8.282 -0.532 -1.029 0.00 0.00 -0.166 F ENDBRANCH 19 21 ENDBRANCH 11 15 ENDBRANCH 3 8 BRANCH 1 25 ATOM 25 C LIG 1 -3.646 -2.378 0.307 0.00 0.00 +0.093 C BRANCH 25 33 ATOM 26 O LIG 1 -7.818 -0.056 -2.495 0.00 0.00 -0.266 OA ATOM 27 C LIG 1 -6.899 -0.522 -1.831 0.00 0.00 +0.272 A ATOM 28 C LIG 1 -6.355 0.189 -0.663 0.00 0.00 +0.050 A ATOM 29 C LIG 1 -5.310 -0.385 0.058 0.00 0.00 +0.011 A ATOM 30 C LIG 1 -4.798 0.290 1.173 0.00 0.00 +0.010 A ATOM 31 C LIG 1 -5.329 1.527 1.550 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -6.373 2.096 0.822 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -4.803 -1.699 -0.415 0.00 0.00 +0.074 A ATOM 34 N LIG 1 -5.297 -2.317 -1.449 0.00 0.00 -0.175 NA ATOM 35 C LIG 1 -6.889 1.428 -0.286 0.00 0.00 +0.014 A ATOM 36 N LIG 1 -6.321 -1.732 -2.125 0.00 0.00 -0.242 N ATOM 37 H LIG 1 -6.686 -2.238 -2.925 0.00 0.00 +0.192 HD ENDBRANCH 25 33 ENDBRANCH 1 25 TORSDOF 5