REMARK Name = BDB024048 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.830 -1.635 -0.726 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -0.768 -1.302 0.129 0.00 0.00 +0.018 A ATOM 3 C LIG 1 0.387 -0.675 -0.360 0.00 0.00 +0.047 A ATOM 4 C LIG 1 0.472 -0.407 -1.722 0.00 0.00 +0.134 A ATOM 5 F LIG 1 1.568 0.184 -2.215 0.00 0.00 -0.205 F ATOM 6 C LIG 1 -0.559 -0.744 -2.592 0.00 0.00 +0.039 A ATOM 7 C LIG 1 -1.708 -1.359 -2.095 0.00 0.00 +0.007 A ENDROOT BRANCH 3 8 ATOM 8 P LIG 1 1.698 -0.244 0.739 0.00 0.00 +0.122 P ATOM 9 C LIG 1 2.204 1.461 0.464 0.00 0.00 +0.089 C ATOM 10 C LIG 1 3.620 1.567 -0.083 0.00 0.00 +0.092 C ATOM 11 N LIG 1 4.543 0.878 0.814 0.00 0.00 -0.299 NA ATOM 12 C LIG 1 4.434 -0.581 0.880 0.00 0.00 +0.092 C ATOM 13 C LIG 1 3.167 -1.165 0.273 0.00 0.00 +0.089 C ATOM 14 O LIG 1 1.373 -0.473 2.197 0.00 0.00 -0.316 OA BRANCH 11 15 ATOM 15 C LIG 1 5.880 1.484 0.879 0.00 0.00 +0.057 C ATOM 16 C LIG 1 7.122 0.740 1.282 0.00 0.00 +0.020 C ATOM 17 C LIG 1 6.928 1.159 -0.148 0.00 0.00 +0.020 C ENDBRANCH 11 15 ENDBRANCH 3 8 BRANCH 1 18 ATOM 18 C LIG 1 -3.070 -2.307 -0.181 0.00 0.00 +0.093 C BRANCH 18 27 ATOM 19 O LIG 1 -7.720 0.368 -1.555 0.00 0.00 -0.266 OA ATOM 20 C LIG 1 -6.688 -0.188 -1.198 0.00 0.00 +0.273 A ATOM 21 C LIG 1 -5.901 0.314 -0.062 0.00 0.00 +0.052 A ATOM 22 C LIG 1 -4.731 -0.354 0.306 0.00 0.00 +0.011 A ATOM 23 C LIG 1 -3.986 0.118 1.394 0.00 0.00 +0.013 A ATOM 24 C LIG 1 -4.414 1.251 2.094 0.00 0.00 +0.039 A ATOM 25 C LIG 1 -5.580 1.903 1.710 0.00 0.00 +0.124 A ATOM 26 F LIG 1 -5.983 2.986 2.386 0.00 0.00 -0.205 F ATOM 27 C LIG 1 -4.349 -1.544 -0.500 0.00 0.00 +0.074 A ATOM 28 N LIG 1 -5.060 -1.975 -1.502 0.00 0.00 -0.175 NA ATOM 29 C LIG 1 -6.332 1.446 0.637 0.00 0.00 +0.052 A ATOM 30 N LIG 1 -6.199 -1.307 -1.825 0.00 0.00 -0.242 N ATOM 31 H LIG 1 -6.731 -1.669 -2.610 0.00 0.00 +0.192 HD ENDBRANCH 18 27 ENDBRANCH 1 18 TORSDOF 4