REMARK Name = BDB020088 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.751 2.268 -0.740 0.00 0.00 -0.013 A ATOM 2 C LIG 1 -0.338 1.394 -0.696 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -0.166 0.045 -1.026 0.00 0.00 +0.038 A ATOM 4 C LIG 1 1.085 -0.427 -1.436 0.00 0.00 +0.018 A ATOM 5 C LIG 1 2.186 0.440 -1.493 0.00 0.00 -0.026 A ATOM 6 C LIG 1 2.007 1.788 -1.137 0.00 0.00 +0.014 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 0.769 7.210 -0.931 0.00 0.00 +0.172 C ATOM 8 N LIG 1 0.602 5.845 -0.491 0.00 0.00 -0.273 N ATOM 9 N LIG 1 0.066 5.602 0.717 0.00 0.00 -0.167 NA ATOM 10 C LIG 1 0.048 4.255 0.814 0.00 0.00 +0.173 A ATOM 11 C LIG 1 0.581 3.658 -0.369 0.00 0.00 +0.032 A ATOM 12 C LIG 1 0.933 4.717 -1.178 0.00 0.00 +0.117 A BRANCH 10 13 ATOM 13 C LIG 1 -0.461 3.533 2.032 0.00 0.00 +0.437 C ATOM 14 F LIG 1 -1.608 2.842 1.767 0.00 0.00 -0.164 F ATOM 15 F LIG 1 0.434 2.612 2.487 0.00 0.00 -0.164 F ATOM 16 F LIG 1 -0.740 4.350 3.083 0.00 0.00 -0.164 F ENDBRANCH 10 13 ENDBRANCH 1 11 BRANCH 3 17 ATOM 17 C LIG 1 -1.306 -0.901 -0.972 0.00 0.00 +0.245 C ATOM 18 N LIG 1 -2.148 -0.752 0.106 0.00 0.00 -0.304 N ATOM 19 H LIG 1 -1.941 -0.072 0.824 0.00 0.00 +0.150 HD ATOM 20 O LIG 1 -1.435 -1.754 -1.841 0.00 0.00 -0.270 OA BRANCH 18 21 ATOM 21 C LIG 1 -3.347 -1.548 0.245 0.00 0.00 +0.107 C BRANCH 21 22 ATOM 22 C LIG 1 -4.538 -0.843 -0.386 0.00 0.00 -0.025 A ATOM 23 C LIG 1 -5.279 -1.492 -1.389 0.00 0.00 +0.027 A ATOM 24 C LIG 1 -6.378 -0.867 -1.990 0.00 0.00 +0.060 A ATOM 25 CL LIG 1 -7.233 -1.743 -3.211 0.00 0.00 -0.082 Cl ATOM 26 C LIG 1 -6.748 0.422 -1.596 0.00 0.00 +0.059 A ATOM 27 CL LIG 1 -8.092 1.257 -2.291 0.00 0.00 -0.082 Cl ATOM 28 C LIG 1 -6.017 1.081 -0.604 0.00 0.00 +0.022 A ATOM 29 C LIG 1 -4.920 0.455 -0.005 0.00 0.00 +0.007 A ENDBRANCH 21 22 BRANCH 21 30 ATOM 30 C LIG 1 -3.601 -1.804 1.712 0.00 0.00 +0.014 C ATOM 31 C LIG 1 -4.289 -3.071 2.161 0.00 0.00 +0.006 C ATOM 32 C LIG 1 -2.823 -2.879 2.435 0.00 0.00 +0.006 C ENDBRANCH 21 30 ENDBRANCH 18 21 ENDBRANCH 3 17 BRANCH 5 33 ATOM 33 C LIG 1 3.552 -0.076 -1.892 0.00 0.00 +0.159 C BRANCH 33 34 ATOM 34 N LIG 1 4.152 -0.849 -0.825 0.00 0.00 -0.313 N ATOM 35 C LIG 1 4.167 -2.253 -0.740 0.00 0.00 +0.204 A ATOM 36 N LIG 1 3.720 -3.128 -1.569 0.00 0.00 -0.268 NA ATOM 37 H LIG 1 3.323 -2.676 -2.389 0.00 0.00 +0.190 HD ATOM 38 N LIG 1 4.777 -2.502 0.497 0.00 0.00 -0.314 N ATOM 39 C LIG 1 5.009 -1.319 1.171 0.00 0.00 +0.107 A ATOM 40 C LIG 1 4.655 -0.312 0.361 0.00 0.00 +0.107 A BRANCH 38 41 ATOM 41 C LIG 1 4.687 -3.790 1.167 0.00 0.00 +0.090 C ATOM 42 C LIG 1 5.524 -4.959 0.719 0.00 0.00 +0.027 C ATOM 43 C LIG 1 5.789 -4.320 2.049 0.00 0.00 +0.027 C ENDBRANCH 38 41 ENDBRANCH 33 34 ENDBRANCH 5 33 TORSDOF 9