REMARK Name = BDB019635 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.549 0.815 -1.033 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -0.230 1.978 -1.108 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -1.527 2.018 -0.574 0.00 0.00 -0.017 A ATOM 4 C LIG 1 -2.026 0.854 0.037 0.00 0.00 +0.013 A ATOM 5 C LIG 1 -1.263 -0.324 0.115 0.00 0.00 -0.029 A ATOM 6 C LIG 1 0.026 -0.338 -0.435 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -2.345 3.240 -0.658 0.00 0.00 -0.017 A ATOM 8 C LIG 1 -1.849 4.476 -0.204 0.00 0.00 +0.017 A ATOM 9 C LIG 1 -2.620 5.649 -0.273 0.00 0.00 +0.014 A ATOM 10 C LIG 1 -3.898 5.573 -0.826 0.00 0.00 +0.129 A ATOM 11 F LIG 1 -4.654 6.676 -0.922 0.00 0.00 -0.205 F ATOM 12 C LIG 1 -4.414 4.366 -1.282 0.00 0.00 +0.039 A ATOM 13 C LIG 1 -3.643 3.206 -1.197 0.00 0.00 +0.011 A BRANCH 9 14 ATOM 14 C LIG 1 -2.065 6.962 0.198 0.00 0.00 +0.194 C BRANCH 14 15 ATOM 15 O LIG 1 -1.522 6.834 1.508 0.00 0.00 -0.390 OA ATOM 16 H LIG 1 -2.173 6.341 2.035 0.00 0.00 +0.210 HD ENDBRANCH 14 15 ENDBRANCH 9 14 ENDBRANCH 3 7 BRANCH 1 19 ATOM 17 N LIG 1 2.837 -0.018 -1.078 0.00 0.00 -0.307 N ATOM 18 H LIG 1 2.651 -0.425 -0.172 0.00 0.00 +0.149 HD ATOM 19 C LIG 1 1.913 0.840 -1.631 0.00 0.00 +0.244 C ATOM 20 O LIG 1 2.175 1.615 -2.543 0.00 0.00 -0.270 OA BRANCH 17 21 ATOM 21 C LIG 1 4.214 0.021 -1.514 0.00 0.00 +0.139 C BRANCH 21 28 ATOM 22 C LIG 1 7.279 -1.740 2.077 0.00 0.00 +0.045 C ATOM 23 C LIG 1 6.462 -1.990 0.840 0.00 0.00 -0.032 A ATOM 24 C LIG 1 6.381 -3.261 0.250 0.00 0.00 +0.044 A ATOM 25 CL LIG 1 7.213 -4.621 0.915 0.00 0.00 -0.083 Cl ATOM 26 C LIG 1 5.613 -3.462 -0.899 0.00 0.00 +0.020 A ATOM 27 C LIG 1 4.918 -2.398 -1.475 0.00 0.00 +0.006 A ATOM 28 C LIG 1 4.990 -1.119 -0.910 0.00 0.00 -0.030 A ATOM 29 C LIG 1 5.757 -0.928 0.250 0.00 0.00 +0.010 A ENDBRANCH 21 28 ENDBRANCH 17 21 ENDBRANCH 1 19 BRANCH 5 30 ATOM 30 C LIG 1 -1.850 -1.564 0.745 0.00 0.00 +0.138 C BRANCH 30 31 ATOM 31 N LIG 1 -2.806 -2.156 -0.158 0.00 0.00 -0.329 N ATOM 32 H LIG 1 -2.566 -2.096 -1.144 0.00 0.00 +0.147 HD BRANCH 31 33 ATOM 33 C LIG 1 -3.521 -3.282 0.123 0.00 0.00 +0.090 C ATOM 34 C LIG 1 -3.815 -3.729 1.528 0.00 0.00 +0.073 C ATOM 35 C LIG 1 -4.969 -4.661 1.253 0.00 0.00 +0.031 C ATOM 36 C LIG 1 -4.660 -5.163 -0.144 0.00 0.00 +0.143 C ATOM 37 N LIG 1 -3.971 -4.048 -0.824 0.00 0.00 -0.273 NA ENDBRANCH 31 33 ENDBRANCH 30 31 ENDBRANCH 5 30 TORSDOF 9