REMARK Name = BDB019638 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.374 -0.672 -0.801 0.00 0.00 +0.038 A ATOM 2 C LIG 1 0.287 0.697 -0.518 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -0.957 1.299 -0.275 0.00 0.00 -0.016 A ATOM 4 C LIG 1 -2.110 0.496 -0.299 0.00 0.00 +0.013 A ATOM 5 C LIG 1 -2.036 -0.881 -0.563 0.00 0.00 -0.029 A ATOM 6 C LIG 1 -0.782 -1.460 -0.798 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -1.051 2.736 0.018 0.00 0.00 -0.006 A ATOM 8 C LIG 1 -0.910 3.726 -0.985 0.00 0.00 +0.065 A ATOM 9 C LIG 1 -1.004 5.085 -0.627 0.00 0.00 +0.051 A ATOM 10 C LIG 1 -1.239 5.451 0.693 0.00 0.00 +0.124 A ATOM 11 F LIG 1 -1.327 6.748 1.010 0.00 0.00 -0.205 F ATOM 12 C LIG 1 -1.385 4.492 1.682 0.00 0.00 +0.039 A ATOM 13 C LIG 1 -1.291 3.142 1.346 0.00 0.00 +0.012 A BRANCH 8 14 ATOM 14 C LIG 1 -0.658 3.361 -2.430 0.00 0.00 +0.418 C ATOM 15 F LIG 1 -1.582 2.500 -2.937 0.00 0.00 -0.166 F ATOM 16 F LIG 1 0.558 2.773 -2.621 0.00 0.00 -0.166 F ATOM 17 F LIG 1 -0.670 4.439 -3.267 0.00 0.00 -0.166 F ENDBRANCH 8 14 ENDBRANCH 3 7 BRANCH 1 20 ATOM 18 N LIG 1 2.599 -0.562 -1.764 0.00 0.00 -0.307 N ATOM 19 H LIG 1 2.364 0.370 -2.074 0.00 0.00 +0.149 HD ATOM 20 C LIG 1 1.679 -1.324 -1.080 0.00 0.00 +0.244 C ATOM 21 O LIG 1 1.875 -2.480 -0.725 0.00 0.00 -0.270 OA BRANCH 18 22 ATOM 22 C LIG 1 3.945 -1.025 -2.009 0.00 0.00 +0.139 C BRANCH 22 29 ATOM 23 C LIG 1 6.025 -0.528 2.544 0.00 0.00 +0.045 C ATOM 24 C LIG 1 5.918 -0.060 1.121 0.00 0.00 -0.032 A ATOM 25 C LIG 1 6.665 1.024 0.636 0.00 0.00 +0.044 A ATOM 26 CL LIG 1 7.761 1.893 1.651 0.00 0.00 -0.083 Cl ATOM 27 C LIG 1 6.538 1.438 -0.693 0.00 0.00 +0.020 A ATOM 28 C LIG 1 5.664 0.774 -1.556 0.00 0.00 +0.006 A ATOM 29 C LIG 1 4.914 -0.314 -1.099 0.00 0.00 -0.030 A ATOM 30 C LIG 1 5.044 -0.718 0.241 0.00 0.00 +0.010 A ENDBRANCH 22 29 ENDBRANCH 18 22 ENDBRANCH 1 20 BRANCH 5 31 ATOM 31 C LIG 1 -3.281 -1.732 -0.547 0.00 0.00 +0.138 C BRANCH 31 32 ATOM 32 N LIG 1 -3.535 -2.192 0.794 0.00 0.00 -0.329 N ATOM 33 H LIG 1 -3.200 -1.598 1.545 0.00 0.00 +0.147 HD BRANCH 32 34 ATOM 34 C LIG 1 -4.585 -2.975 1.164 0.00 0.00 +0.090 C ATOM 35 C LIG 1 -5.354 -3.824 0.190 0.00 0.00 +0.073 C ATOM 36 C LIG 1 -6.602 -4.066 1.003 0.00 0.00 +0.031 C ATOM 37 C LIG 1 -6.083 -4.010 2.426 0.00 0.00 +0.143 C ATOM 38 N LIG 1 -4.967 -3.045 2.405 0.00 0.00 -0.273 NA ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 5 31 TORSDOF 8