REMARK Name = BDB058255 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.429 0.532 0.458 0.00 0.00 -0.015 A ATOM 2 C LIG 1 5.014 -0.800 0.303 0.00 0.00 +0.012 A ATOM 3 C LIG 1 3.689 -1.124 0.552 0.00 0.00 -0.039 A ATOM 4 C LIG 1 3.034 -2.467 0.427 0.00 0.00 +0.040 C ATOM 5 C LIG 1 1.740 -2.254 1.228 0.00 0.00 +0.067 C ATOM 6 C LIG 1 1.402 -0.761 1.099 0.00 0.00 +0.216 C ATOM 7 C LIG 1 0.445 -0.483 -0.033 0.00 0.00 +0.273 C ATOM 8 O LIG 1 0.598 -0.739 -1.218 0.00 0.00 -0.270 OA ATOM 9 N LIG 1 -0.641 0.104 0.528 0.00 0.00 -0.195 N ATOM 10 C LIG 1 -0.499 0.188 1.867 0.00 0.00 +0.411 C ATOM 11 O LIG 1 -1.325 0.631 2.650 0.00 0.00 -0.226 OA ATOM 12 O LIG 1 0.721 -0.280 2.254 0.00 0.00 -0.429 OA ATOM 13 C LIG 1 2.762 -0.147 0.933 0.00 0.00 +0.008 A ATOM 14 C LIG 1 3.151 1.172 1.094 0.00 0.00 +0.009 A ATOM 15 C LIG 1 4.489 1.506 0.859 0.00 0.00 +0.009 A ENDROOT BRANCH 1 20 ATOM 16 C LIG 1 10.049 0.724 -1.356 0.00 0.00 +0.172 C ATOM 17 N LIG 1 8.848 0.986 -0.602 0.00 0.00 -0.274 N ATOM 18 N LIG 1 8.832 1.996 0.285 0.00 0.00 -0.179 NA ATOM 19 C LIG 1 7.593 1.953 0.782 0.00 0.00 +0.142 A ATOM 20 C LIG 1 6.811 0.917 0.220 0.00 0.00 +0.020 A ATOM 21 C LIG 1 7.665 0.311 -0.680 0.00 0.00 +0.116 A ENDBRANCH 1 20 BRANCH 9 22 ATOM 22 C LIG 1 -1.862 0.407 -0.181 0.00 0.00 +0.215 C BRANCH 22 23 ATOM 23 C LIG 1 -2.768 -0.832 -0.166 0.00 0.00 +0.234 C ATOM 24 N LIG 1 -4.039 -0.714 -0.715 0.00 0.00 -0.281 N ATOM 25 C LIG 1 -4.951 -1.886 -0.613 0.00 0.00 +0.218 C ATOM 26 C LIG 1 -6.422 -1.466 -0.518 0.00 0.00 +0.260 C ATOM 27 O LIG 1 -6.635 -0.594 0.596 0.00 0.00 -0.489 OA ATOM 28 C LIG 1 -6.398 0.738 0.385 0.00 0.00 +0.125 A ATOM 29 C LIG 1 -5.460 1.290 -0.506 0.00 0.00 +0.014 A ATOM 30 C LIG 1 -5.372 2.693 -0.593 0.00 0.00 +0.047 A ATOM 31 C LIG 1 -6.162 3.508 0.212 0.00 0.00 +0.124 A ATOM 32 C LIG 1 -7.056 2.961 1.118 0.00 0.00 +0.042 A ATOM 33 F LIG 1 -6.050 4.838 0.112 0.00 0.00 -0.205 F ATOM 34 C LIG 1 -7.169 1.575 1.205 0.00 0.00 +0.049 A ATOM 35 C LIG 1 -4.552 0.473 -1.389 0.00 0.00 +0.147 C ATOM 36 O LIG 1 -2.385 -1.899 0.321 0.00 0.00 -0.274 OA BRANCH 25 37 ATOM 37 C LIG 1 -4.804 -2.876 -1.775 0.00 0.00 +0.411 C ATOM 38 F LIG 1 -5.592 -3.961 -1.595 0.00 0.00 -0.168 F ATOM 39 F LIG 1 -5.179 -2.299 -2.944 0.00 0.00 -0.168 F ATOM 40 F LIG 1 -3.539 -3.314 -1.933 0.00 0.00 -0.168 F ENDBRANCH 25 37 ENDBRANCH 22 23 ENDBRANCH 9 22 TORSDOF 4