REMARK Name = BDB028045 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.893 -1.510 0.056 0.00 0.00 -0.032 A ATOM 2 C LIG 1 3.248 -2.220 -0.986 0.00 0.00 +0.017 A ATOM 3 C LIG 1 1.851 -2.163 -1.167 0.00 0.00 +0.061 A ATOM 4 C LIG 1 1.121 -1.384 -0.274 0.00 0.00 -0.006 A ATOM 5 C LIG 1 -0.350 -1.131 -0.208 0.00 0.00 +0.150 C ATOM 6 N LIG 1 -0.495 -0.244 0.939 0.00 0.00 -0.263 N ATOM 7 C LIG 1 0.744 0.032 1.528 0.00 0.00 +0.251 C ATOM 8 O LIG 1 1.041 0.719 2.488 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 1.757 -0.694 0.751 0.00 0.00 +0.043 A ATOM 10 C LIG 1 3.126 -0.737 0.941 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -1.763 0.242 1.367 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -2.937 -0.101 0.667 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -4.238 0.342 1.029 0.00 0.00 -0.035 A ATOM 14 C LIG 1 -4.299 1.156 2.175 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -3.154 1.514 2.888 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -1.898 1.063 2.484 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -5.564 -0.112 0.141 0.00 0.00 +0.049 C ATOM 18 C LIG 1 -5.341 -0.152 -1.403 0.00 0.00 +0.174 C ATOM 19 O LIG 1 -5.071 -1.578 -1.353 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 -5.709 -1.655 -0.046 0.00 0.00 +0.174 C BRANCH 17 21 ATOM 21 C LIG 1 -6.821 0.647 0.603 0.00 0.00 +0.092 C BRANCH 21 22 ATOM 22 C LIG 1 -8.079 0.395 -0.155 0.00 0.00 +0.134 A ATOM 23 N LIG 1 -8.663 1.258 -1.048 0.00 0.00 -0.320 N ATOM 24 C LIG 1 -8.199 2.559 -1.450 0.00 0.00 +0.151 C ATOM 25 C LIG 1 -9.794 0.644 -1.487 0.00 0.00 +0.224 A ATOM 26 N LIG 1 -9.916 -0.521 -0.897 0.00 0.00 -0.138 NA ATOM 27 N LIG 1 -8.845 -0.672 -0.051 0.00 0.00 -0.135 NA ENDBRANCH 21 22 ENDBRANCH 17 21 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 28 ATOM 28 C LIG 1 1.167 -2.913 -2.278 0.00 0.00 +0.418 C ATOM 29 F LIG 1 2.023 -3.593 -3.088 0.00 0.00 -0.166 F ATOM 30 F LIG 1 0.453 -2.089 -3.092 0.00 0.00 -0.166 F ATOM 31 F LIG 1 0.281 -3.833 -1.808 0.00 0.00 -0.166 F ENDBRANCH 3 28 BRANCH 1 32 ATOM 32 C LIG 1 5.396 -1.599 0.231 0.00 0.00 +0.119 C BRANCH 32 40 ATOM 33 C LIG 1 7.458 2.131 1.393 0.00 0.00 +0.015 C ATOM 34 C LIG 1 8.152 0.969 0.675 0.00 0.00 +0.069 C ATOM 35 C LIG 1 8.363 1.229 -0.816 0.00 0.00 +0.254 C ATOM 36 F LIG 1 8.339 2.561 -1.076 0.00 0.00 -0.205 F ATOM 37 F LIG 1 9.623 0.818 -1.151 0.00 0.00 -0.205 F ATOM 38 C LIG 1 7.400 0.506 -1.740 0.00 0.00 +0.091 C ATOM 39 C LIG 1 6.027 0.368 -1.104 0.00 0.00 +0.090 C ATOM 40 N LIG 1 6.050 -0.284 0.214 0.00 0.00 -0.298 NA ATOM 41 C LIG 1 7.380 -0.344 0.837 0.00 0.00 +0.093 C ENDBRANCH 32 40 ENDBRANCH 1 32 TORSDOF 7