REMARK Name = BDB055990 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.048 -0.638 -1.480 0.00 0.00 +0.094 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 -0.264 -0.128 -2.826 0.00 0.00 -0.324 NA ATOM 3 H LIG 1 -0.638 0.818 -2.760 0.00 0.00 +0.119 HD ATOM 4 H LIG 1 0.633 -0.011 -3.311 0.00 0.00 +0.119 HD ENDBRANCH 1 2 BRANCH 1 5 ATOM 5 C LIG 1 -1.173 -0.604 -0.513 0.00 0.00 +0.133 C BRANCH 5 6 ATOM 6 O LIG 1 -0.854 -1.338 0.677 0.00 0.00 -0.390 OA ATOM 7 H LIG 1 -0.733 -2.268 0.408 0.00 0.00 +0.210 HD ENDBRANCH 5 6 BRANCH 5 8 ATOM 8 C LIG 1 -1.635 0.805 -0.092 0.00 0.00 +0.046 C BRANCH 8 9 ATOM 9 C LIG 1 -2.880 0.778 0.830 0.00 0.00 +0.080 C BRANCH 9 10 ATOM 10 C LIG 1 -4.098 0.242 0.064 0.00 0.00 +0.222 C ATOM 11 N LIG 1 -4.962 -0.464 0.874 0.00 0.00 -0.268 N ATOM 12 H LIG 1 -4.711 -0.603 1.844 0.00 0.00 +0.156 HD ATOM 13 O LIG 1 -4.241 0.472 -1.132 0.00 0.00 -0.275 OA BRANCH 11 14 ATOM 14 C LIG 1 -6.172 -1.048 0.473 0.00 0.00 +0.161 A ATOM 15 C LIG 1 -6.896 -1.740 1.450 0.00 0.00 +0.166 A ATOM 16 F LIG 1 -6.429 -1.824 2.706 0.00 0.00 -0.202 F ATOM 17 C LIG 1 -8.104 -2.344 1.128 0.00 0.00 +0.081 A ATOM 18 C LIG 1 -8.558 -2.237 -0.174 0.00 0.00 +0.144 A ATOM 19 F LIG 1 -9.716 -2.803 -0.533 0.00 0.00 -0.204 F ATOM 20 C LIG 1 -7.796 -1.539 -1.096 0.00 0.00 +0.151 A ATOM 21 N LIG 1 -6.616 -0.944 -0.796 0.00 0.00 -0.234 NA ENDBRANCH 11 14 ENDBRANCH 9 10 BRANCH 9 23 ATOM 22 C LIG 1 -3.533 3.253 0.440 0.00 0.00 +0.008 C ATOM 23 C LIG 1 -3.152 2.175 1.459 0.00 0.00 -0.005 C ATOM 24 C LIG 1 -4.204 2.123 2.571 0.00 0.00 +0.008 C ENDBRANCH 9 23 ENDBRANCH 8 9 ENDBRANCH 5 8 ENDBRANCH 1 5 BRANCH 1 25 ATOM 25 C LIG 1 1.314 0.076 -0.902 0.00 0.00 +0.106 C BRANCH 25 26 ATOM 26 N LIG 1 2.450 0.151 -1.868 0.00 0.00 -0.286 NA ATOM 27 C LIG 1 3.520 1.125 -1.497 0.00 0.00 +0.033 C ATOM 28 C LIG 1 4.533 1.273 -2.663 0.00 0.00 +0.029 C ATOM 29 C LIG 1 2.953 2.545 -1.257 0.00 0.00 +0.029 C ATOM 30 C LIG 1 4.263 0.660 -0.222 0.00 0.00 +0.135 C ATOM 31 N LIG 1 4.705 -0.743 -0.254 0.00 0.00 -0.267 N ATOM 32 C LIG 1 3.911 -1.699 -0.902 0.00 0.00 +0.234 C ATOM 33 O LIG 1 3.961 -2.911 -0.674 0.00 0.00 -0.274 OA ATOM 34 C LIG 1 3.046 -1.196 -2.067 0.00 0.00 +0.181 C BRANCH 31 35 ATOM 35 C LIG 1 5.574 -1.131 0.818 0.00 0.00 +0.055 A ATOM 36 C LIG 1 6.891 -0.641 0.918 0.00 0.00 +0.062 A ATOM 37 CL LIG 1 7.617 0.332 -0.318 0.00 0.00 -0.082 Cl ATOM 38 C LIG 1 7.703 -1.000 2.001 0.00 0.00 +0.022 A ATOM 39 C LIG 1 7.219 -1.854 2.990 0.00 0.00 +0.002 A ATOM 40 C LIG 1 5.926 -2.360 2.894 0.00 0.00 +0.002 A ATOM 41 C LIG 1 5.111 -2.005 1.815 0.00 0.00 +0.025 A ENDBRANCH 31 35 ENDBRANCH 25 26 ENDBRANCH 1 25 TORSDOF 11