REMARK Name = BDB024018 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.955 0.577 -1.111 0.00 0.00 -0.041 A ATOM 2 C LIG 1 1.796 0.818 -0.358 0.00 0.00 +0.018 A ATOM 3 C LIG 1 0.639 0.035 -0.516 0.00 0.00 +0.047 A ATOM 4 C LIG 1 0.667 -0.989 -1.456 0.00 0.00 +0.134 A ATOM 5 F LIG 1 -0.402 -1.773 -1.634 0.00 0.00 -0.205 F ATOM 6 C LIG 1 1.797 -1.231 -2.232 0.00 0.00 +0.039 A ATOM 7 C LIG 1 2.938 -0.447 -2.065 0.00 0.00 +0.007 A ENDROOT BRANCH 3 8 ATOM 8 P LIG 1 -0.761 0.395 0.493 0.00 0.00 +0.122 P ATOM 9 C LIG 1 -1.684 1.734 -0.290 0.00 0.00 +0.093 C ATOM 10 C LIG 1 -3.141 1.625 0.117 0.00 0.00 +0.114 C ATOM 11 N LIG 1 -3.749 0.457 -0.536 0.00 0.00 -0.313 N ATOM 12 C LIG 1 -3.007 -0.817 -0.554 0.00 0.00 +0.114 C ATOM 13 C LIG 1 -1.987 -0.917 0.567 0.00 0.00 +0.093 C ATOM 14 O LIG 1 -0.387 0.810 1.899 0.00 0.00 -0.316 OA BRANCH 11 15 ATOM 15 C LIG 1 -5.127 0.321 -0.286 0.00 0.00 +0.140 A ATOM 16 C LIG 1 -5.989 -0.342 -1.180 0.00 0.00 +0.081 A ATOM 17 CL LIG 1 -5.463 -0.980 -2.701 0.00 0.00 -0.080 Cl ATOM 18 C LIG 1 -7.348 -0.457 -0.873 0.00 0.00 +0.037 A ATOM 19 C LIG 1 -7.844 0.099 0.306 0.00 0.00 +0.074 A ATOM 20 C LIG 1 -6.938 0.744 1.129 0.00 0.00 +0.125 A ATOM 21 N LIG 1 -5.618 0.869 0.854 0.00 0.00 -0.238 NA BRANCH 19 22 ATOM 22 C LIG 1 -9.281 -0.009 0.704 0.00 0.00 +0.419 C ATOM 23 F LIG 1 -10.118 -0.171 -0.358 0.00 0.00 -0.166 F ATOM 24 F LIG 1 -9.511 -1.067 1.527 0.00 0.00 -0.166 F ATOM 25 F LIG 1 -9.733 1.089 1.369 0.00 0.00 -0.166 F ENDBRANCH 19 22 ENDBRANCH 11 15 ENDBRANCH 3 8 BRANCH 1 26 ATOM 26 C LIG 1 4.188 1.430 -0.910 0.00 0.00 +0.093 C BRANCH 26 34 ATOM 27 O LIG 1 8.800 -1.540 -0.164 0.00 0.00 -0.266 OA ATOM 28 C LIG 1 7.767 -0.889 -0.266 0.00 0.00 +0.272 A ATOM 29 C LIG 1 6.850 -0.718 0.872 0.00 0.00 +0.050 A ATOM 30 C LIG 1 5.687 0.032 0.704 0.00 0.00 +0.011 A ATOM 31 C LIG 1 4.818 0.198 1.788 0.00 0.00 +0.010 A ATOM 32 C LIG 1 5.115 -0.388 3.022 0.00 0.00 +0.001 A ATOM 33 C LIG 1 6.279 -1.138 3.183 0.00 0.00 +0.001 A ATOM 34 C LIG 1 5.447 0.614 -0.643 0.00 0.00 +0.074 A ATOM 35 N LIG 1 6.269 0.454 -1.640 0.00 0.00 -0.175 NA ATOM 36 C LIG 1 7.150 -1.305 2.108 0.00 0.00 +0.014 A ATOM 37 N LIG 1 7.396 -0.278 -1.438 0.00 0.00 -0.242 N ATOM 38 H LIG 1 8.018 -0.384 -2.233 0.00 0.00 +0.192 HD ENDBRANCH 26 34 ENDBRANCH 1 26 TORSDOF 5