REMARK Name = BDB008496 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.577 -1.143 1.533 0.00 0.00 +0.072 A ATOM 2 C LIG 1 0.471 -0.398 2.704 0.00 0.00 +0.135 A ATOM 3 F LIG 1 -0.726 -0.013 3.172 0.00 0.00 -0.205 F ATOM 4 C LIG 1 1.611 -0.032 3.412 0.00 0.00 +0.039 A ATOM 5 C LIG 1 2.872 -0.418 2.949 0.00 0.00 +0.007 A ATOM 6 C LIG 1 2.999 -1.171 1.771 0.00 0.00 -0.041 A ATOM 7 C LIG 1 1.837 -1.548 1.077 0.00 0.00 +0.020 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -5.208 -0.284 -0.609 0.00 0.00 +0.171 A ATOM 9 C LIG 1 -3.879 -0.193 -0.228 0.00 0.00 +0.070 A ATOM 10 C LIG 1 -2.771 -1.191 -0.263 0.00 0.00 +0.163 C ATOM 11 N LIG 1 -1.582 -0.661 0.407 0.00 0.00 -0.290 N ATOM 12 C LIG 1 -1.304 0.764 0.199 0.00 0.00 +0.130 C ATOM 13 C LIG 1 -2.459 1.617 0.712 0.00 0.00 +0.142 C ATOM 14 C LIG 1 -0.625 -1.593 0.805 0.00 0.00 +0.250 C ATOM 15 O LIG 1 -0.725 -2.797 0.582 0.00 0.00 -0.270 OA ATOM 16 N LIG 1 -3.722 1.096 0.220 0.00 0.00 -0.321 N ATOM 17 C LIG 1 -4.929 1.746 0.140 0.00 0.00 +0.216 A ATOM 18 N LIG 1 -5.839 0.930 -0.372 0.00 0.00 -0.217 NA BRANCH 17 19 ATOM 19 C LIG 1 -5.101 3.164 0.581 0.00 0.00 +0.451 C ATOM 20 F LIG 1 -4.407 4.019 -0.220 0.00 0.00 -0.163 F ATOM 21 F LIG 1 -6.391 3.582 0.582 0.00 0.00 -0.163 F ATOM 22 F LIG 1 -4.622 3.357 1.841 0.00 0.00 -0.163 F ENDBRANCH 17 19 BRANCH 8 23 ATOM 23 C LIG 1 -5.872 -1.459 -1.182 0.00 0.00 +0.359 C ATOM 24 O LIG 1 -5.285 -2.508 -1.431 0.00 0.00 -0.243 OA BRANCH 23 26 ATOM 25 C LIG 1 -7.881 -2.372 -1.969 0.00 0.00 +0.280 C ATOM 26 O LIG 1 -7.202 -1.250 -1.411 0.00 0.00 -0.463 OA ENDBRANCH 23 26 ENDBRANCH 8 23 ENDBRANCH 1 14 BRANCH 6 27 ATOM 27 C LIG 1 4.361 -1.610 1.278 0.00 0.00 +0.093 C BRANCH 27 28 ATOM 28 C LIG 1 4.648 -1.162 -0.150 0.00 0.00 +0.074 A ATOM 29 C LIG 1 5.110 0.224 -0.421 0.00 0.00 +0.011 A ATOM 30 C LIG 1 5.322 0.573 -1.754 0.00 0.00 +0.050 A ATOM 31 C LIG 1 5.754 1.861 -2.096 0.00 0.00 +0.014 A ATOM 32 C LIG 1 5.975 2.806 -1.096 0.00 0.00 +0.001 A ATOM 33 C LIG 1 5.767 2.464 0.239 0.00 0.00 +0.001 A ATOM 34 C LIG 1 5.091 -0.429 -2.806 0.00 0.00 +0.272 A ATOM 35 O LIG 1 5.260 -0.162 -3.991 0.00 0.00 -0.266 OA ATOM 36 N LIG 1 4.679 -1.667 -2.380 0.00 0.00 -0.242 N ATOM 37 H LIG 1 4.512 -2.373 -3.092 0.00 0.00 +0.192 HD ATOM 38 C LIG 1 5.337 1.177 0.579 0.00 0.00 +0.010 A ATOM 39 N LIG 1 4.453 -2.037 -1.093 0.00 0.00 -0.175 NA ENDBRANCH 27 28 ENDBRANCH 6 27 TORSDOF 6