REMARK Name = BDB059362 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.273 0.019 -1.202 0.00 0.00 +0.262 C ATOM 2 N LIG 1 0.195 0.315 -0.385 0.00 0.00 -0.228 N ATOM 3 H LIG 1 0.310 0.335 0.631 0.00 0.00 +0.171 HD ATOM 4 O LIG 1 1.113 -0.373 -2.356 0.00 0.00 -0.269 OA ENDROOT BRANCH 1 9 ATOM 5 C LIG 1 4.366 1.122 2.627 0.00 0.00 +0.047 C ATOM 6 C LIG 1 4.159 0.693 1.205 0.00 0.00 -0.012 A ATOM 7 C LIG 1 2.862 0.557 0.694 0.00 0.00 +0.139 A ATOM 8 F LIG 1 1.826 0.794 1.514 0.00 0.00 -0.204 F ATOM 9 C LIG 1 2.639 0.179 -0.634 0.00 0.00 +0.075 A ATOM 10 C LIG 1 3.740 -0.061 -1.470 0.00 0.00 +0.045 A ATOM 11 C LIG 1 5.046 0.083 -0.976 0.00 0.00 +0.087 A ATOM 12 C LIG 1 5.252 0.464 0.359 0.00 0.00 +0.035 A BRANCH 11 13 ATOM 13 N LIG 1 6.159 -0.153 -1.827 0.00 0.00 -0.150 N ATOM 14 N LIG 1 7.444 -0.024 -1.392 0.00 0.00 -0.156 NA ATOM 15 C LIG 1 8.144 -0.334 -2.485 0.00 0.00 +0.156 A ATOM 16 C LIG 1 7.277 -0.634 -3.536 0.00 0.00 +0.156 A ATOM 17 N LIG 1 6.012 -0.520 -3.128 0.00 0.00 -0.156 NA ENDBRANCH 11 13 ENDBRANCH 1 9 BRANCH 2 18 ATOM 18 N LIG 1 -1.168 -0.204 -0.875 0.00 0.00 -0.108 NA ATOM 19 H LIG 1 -1.076 -0.547 -1.846 0.00 0.00 +0.172 HD BRANCH 18 20 ATOM 20 S LIG 1 -1.800 -1.478 0.080 0.00 0.00 +0.074 S ATOM 21 O LIG 1 -1.220 -1.360 1.403 0.00 0.00 -0.152 OA ATOM 22 O LIG 1 -1.688 -2.690 -0.699 0.00 0.00 -0.152 OA BRANCH 20 23 ATOM 23 C LIG 1 -3.507 -1.016 0.178 0.00 0.00 +0.107 A ATOM 24 C LIG 1 -3.896 -0.030 1.091 0.00 0.00 +0.037 A ATOM 25 C LIG 1 -5.246 0.337 1.197 0.00 0.00 -0.016 A ATOM 26 C LIG 1 -6.207 -0.304 0.379 0.00 0.00 -0.018 A ATOM 27 C LIG 1 -7.556 0.067 0.488 0.00 0.00 +0.008 A ATOM 28 C LIG 1 -7.954 1.055 1.391 0.00 0.00 +0.001 A ATOM 29 C LIG 1 -7.009 1.683 2.196 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -5.795 -1.299 -0.524 0.00 0.00 +0.010 A ATOM 31 C LIG 1 -5.663 1.327 2.101 0.00 0.00 +0.008 A ATOM 32 C LIG 1 -4.450 -1.659 -0.624 0.00 0.00 +0.029 A ENDBRANCH 20 23 ENDBRANCH 18 20 ENDBRANCH 2 18 TORSDOF 5